• R/O
  • SSH
  • HTTPS

conograph: Commit


Commit MetaInfo

Revision26 (tree)
Zeit2014-07-07 12:03:15
Autorrtomiyasu

Log Message

古いサンプルの削除

Ändern Zusammenfassung

  • delete: Conograph/trunk/sample/sample3(TimeOfFlight)/sample3_pks.histogramIgor
  • delete: Conograph/trunk/sample/sample3(TimeOfFlight)/output/sample1.index.xml
  • delete: Conograph/trunk/sample/sample3(TimeOfFlight)/output
  • delete: Conograph/trunk/sample/sample3(TimeOfFlight)/cntl.inp.xml
  • delete: Conograph/trunk/sample/sample3(TimeOfFlight)/sample3.inp.xml
  • delete: Conograph/trunk/sample/sample3(TimeOfFlight)
  • delete: Conograph/trunk/sample/sample5(Synchrotron)/cntl.inp.xml
  • delete: Conograph/trunk/sample/sample5(Synchrotron)/sample5.inp.xml
  • delete: Conograph/trunk/sample/sample5(Synchrotron)/output
  • delete: Conograph/trunk/sample/sample5(Synchrotron)/sample5_pks.histogramIgor
  • delete: Conograph/trunk/sample/sample5(Synchrotron)
  • delete: Conograph/trunk/sample/sample6(Synchrotron)/sample6.inp.xml
  • delete: Conograph/trunk/sample/sample6(Synchrotron)/output
  • delete: Conograph/trunk/sample/sample6(Synchrotron)/sample6_pks.histogramIgor
  • delete: Conograph/trunk/sample/sample6(Synchrotron)/cntl.inp.xml
  • delete: Conograph/trunk/sample/sample6(Synchrotron)
  • delete: Conograph/trunk/sample/sample7(TimeOfFlight)/cntl.inp.xml
  • delete: Conograph/trunk/sample/sample7(TimeOfFlight)/sample7.inp.xml
  • delete: Conograph/trunk/sample/sample7(TimeOfFlight)/output/sample7.index.xml
  • delete: Conograph/trunk/sample/sample7(TimeOfFlight)/output
  • delete: Conograph/trunk/sample/sample7(TimeOfFlight)/sample7_pks.histogramIgor
  • delete: Conograph/trunk/sample/sample7(TimeOfFlight)
  • delete: Conograph/trunk/sample/sample4(CharacteristicXrays)/sample4.inp.xml
  • delete: Conograph/trunk/sample/sample4(CharacteristicXrays)/sample4_pks.histogramIgor
  • delete: Conograph/trunk/sample/sample4(CharacteristicXrays)/output
  • delete: Conograph/trunk/sample/sample4(CharacteristicXrays)/cntl.inp.xml
  • delete: Conograph/trunk/sample/sample4(CharacteristicXrays)
  • delete: Conograph/trunk/sample/sample2(Reactor)/sample2_pks.histogramIgor
  • delete: Conograph/trunk/sample/sample2(Reactor)/output
  • delete: Conograph/trunk/sample/sample2(Reactor)/cntl.inp.xml
  • delete: Conograph/trunk/sample/sample2(Reactor)/sample2.inp.xml
  • delete: Conograph/trunk/sample/sample2(Reactor)
  • delete: Conograph/trunk/sample/sample1(Synchrotron)/sample1_pks.histogramIgor
  • delete: Conograph/trunk/sample/sample1(Synchrotron)/output
  • delete: Conograph/trunk/sample/sample1(Synchrotron)/cntl.inp.xml
  • delete: Conograph/trunk/sample/sample1(Synchrotron)/sample1.inp.xml
  • delete: Conograph/trunk/sample/sample1(Synchrotron)

Diff

--- Conograph/trunk/sample/sample3(TimeOfFlight)/output/sample1.index.xml (revision 25)
+++ Conograph/trunk/sample/sample3(TimeOfFlight)/output/sample1.index.xml (nonexistent)
@@ -1,2816 +0,0 @@
1-<?xml version="1.0" encoding="UTF-8" ?>
2-<ZCodeParameters>
3- <ConographOutput>
4- <!-- Information on the best M solution for each Bravais type.
5- TNB : total number of solutions of the Bravais types,
6- M : de Wolff figure of merit,
7- Mwu : Wu figure of merit,
8- Mrev : reversed de Wolff figure of merit,
9- Msym : symmetric de Wolff figure of merit,
10- NN : number of lattices in the neighborhood,
11- VOL : unit-cell volume.
12- Bravais Lattice : TNB, M, Mwu, Mrev, Msym, NN, VOL
13- Cubic(F) : 1 1.4533e+001 1.0615e+001 6.0091e+000 8.7330e+001 31 1.6051e+002
14- Cubic(I) : 0
15- Cubic(P) : 0
16- Hexagonal : 0
17- Rhombohedral : 2 1.7452e+001 2.1205e+001 4.7781e+000 8.3388e+001 166 1.0767e+002
18- Tetragonal(I) : 2 6.9669e+000 1.0770e+001 5.7434e+000 4.0014e+001 177 8.0258e+001
19- Tetragonal(P) : 1 3.1744e+000 2.7407e+000 2.3321e+000 7.4028e+000 12 2.9783e+001
20- Orthorhombic(F) : 5 5.4855e+000 4.9841e+000 2.1003e+000 1.1521e+001 29 1.7683e+002
21- Orthorhombic(I) : 6 1.6015e+001 2.1286e+001 4.0748e+000 6.5257e+001 5 4.6330e+001
22- Orthorhombic(C) : 14 2.0374e+001 1.8293e+001 2.5542e+000 5.2037e+001 28 4.6333e+001
23- Orthorhombic(P) : 0
24- Monoclinic(B) : 29 1.0474e+002 1.0540e+002 2.0447e+000 2.1415e+002 130 4.5852e+001
25- Monoclinic(P) : 8 1.2713e+001 1.9056e+001 2.7121e+000 3.4479e+001 15 2.3168e+001
26- Triclinic : 4 5.7710e+000 6.6050e+000 2.1599e+000 1.2465e+001 11 1.3134e+001
27- -->
28-
29- <!-- Labels of the solution with the best figure of merit.
30- Cubic(F), Best Score : Lattice constants, label.
31- M = 1.4533e+001 : 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 14015
32- Mwu = 1.0616e+001 : 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 14013
33- Mrev = 6.0493e+000 : 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 14013
34- Msym = 8.7330e+001 : 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 14015
35- NN = 31 : 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 14015
36-
37- Cubic(I), Best Score : Lattice constants, label.
38- M = - - : - -
39- Mwu = - - : - -
40- Mrev = - - : - -
41- Msym = - - : - -
42- NN = - - : - -
43-
44- Cubic(P), Best Score : Lattice constants, label.
45- M = - - : - -
46- Mwu = - - : - -
47- Mrev = - - : - -
48- Msym = - - : - -
49- NN = - - : - -
50-
51- Hexagonal, Best Score : Lattice constants, label.
52- M = - - : - -
53- Mwu = - - : - -
54- Mrev = - - : - -
55- Msym = - - : - -
56- NN = - - : - -
57-
58- Rhombohedral, Best Score : Lattice constants, label.
59- M = 1.7452e+001 : 5.4345e+000 5.4345e+000 4.2097e+000 9.0000e+001 9.0000e+001 1.2000e+002 100899
60- Mwu = 2.1205e+001 : 5.4345e+000 5.4345e+000 4.2097e+000 9.0000e+001 9.0000e+001 1.2000e+002 100899
61- Mrev = 7.4222e+000 : 3.8432e+000 3.8432e+000 9.4129e+000 9.0000e+001 9.0000e+001 1.2000e+002 100721
62- Msym = 8.3388e+001 : 5.4345e+000 5.4345e+000 4.2097e+000 9.0000e+001 9.0000e+001 1.2000e+002 100899
63- NN = 357 : 3.8430e+000 3.8430e+000 9.4129e+000 9.0000e+001 9.0000e+001 1.2000e+002 100479
64-
65- Tetragonal(I), Best Score : Lattice constants, label.
66- M = 6.9669e+000 : 3.8427e+000 3.8427e+000 5.4351e+000 9.0000e+001 9.0000e+001 9.0000e+001 09074
67- Mwu = 1.0771e+001 : 3.8427e+000 3.8427e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 09061
68- Mrev = 5.8237e+000 : 3.8427e+000 3.8427e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 09061
69- Msym = 4.0044e+001 : 3.8427e+000 3.8427e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 09061
70- NN = 177 : 3.8427e+000 3.8427e+000 5.4351e+000 9.0000e+001 9.0000e+001 9.0000e+001 09074
71-
72- Tetragonal(P), Best Score : Lattice constants, label.
73- M = 3.1744e+000 : 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 0803
74- Mwu = 2.7407e+000 : 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 0803
75- Mrev = 2.3321e+000 : 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 0803
76- Msym = 7.4028e+000 : 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 0803
77- NN = 12 : 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 0803
78-
79- Orthorhombic(F), Best Score : Lattice constants, label.
80- M = 5.4855e+000 : 4.7054e+000 5.4269e+000 6.9250e+000 9.0000e+001 9.0000e+001 9.0000e+001 070135
81- Mwu = 1.0808e+001 : 5.4343e+000 5.4347e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 070241
82- Mrev = 5.6318e+000 : 5.4343e+000 5.4346e+000 5.4354e+000 9.0000e+001 9.0000e+001 9.0000e+001 070242
83- Msym = 2.3666e+001 : 5.4343e+000 5.4347e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 070241
84- NN = 29 : 4.7054e+000 5.4269e+000 6.9250e+000 9.0000e+001 9.0000e+001 9.0000e+001 070135
85-
86- Orthorhombic(I), Best Score : Lattice constants, label.
87- M = 1.6015e+001 : 2.2184e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 060621
88- Mwu = 2.1286e+001 : 2.2184e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 060621
89- Mrev = 6.7717e+000 : 3.8425e+000 3.8438e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 060194
90- Msym = 6.5257e+001 : 2.2184e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 060621
91- NN = 186 : 3.8427e+000 3.8428e+000 5.4350e+000 9.0000e+001 9.0000e+001 9.0000e+001 060199
92-
93- Orthorhombic(C), Best Score : Lattice constants, label.
94- M = 2.0374e+001 : 3.8427e+000 5.4348e+000 2.2185e+000 9.0000e+001 9.0000e+001 9.0000e+001 050725
95- Mwu = 1.8338e+001 : 3.8428e+000 5.4347e+000 2.2185e+000 9.0000e+001 9.0000e+001 9.0000e+001 050723
96- Mrev = 7.0942e+000 : 3.8427e+000 5.4348e+000 1.9215e+000 9.0000e+001 9.0000e+001 9.0000e+001 050793
97- Msym = 5.3108e+001 : 3.8427e+000 5.4348e+000 1.9215e+000 9.0000e+001 9.0000e+001 9.0000e+001 050793
98- NN = 219 : 3.8453e+000 5.4346e+000 3.0102e+000 9.0000e+001 9.0000e+001 9.0000e+001 050496
99-
100- Orthorhombic(P), Best Score : Lattice constants, label.
101- M = - - : - -
102- Mwu = - - : - -
103- Mrev = - - : - -
104- Msym = - - : - -
105- NN = - - : - -
106-
107- Monoclinic(B), Best Score : Lattice constants, label.
108- M = 1.0474e+002 : 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 0306013
109- Mwu = 1.0540e+002 : 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 0306013
110- Mrev = 4.6967e+000 : 3.9881e+000 5.4347e+000 2.1318e+000 9.0000e+001 1.0551e+002 9.0000e+001 0306116
111- Msym = 2.1415e+002 : 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 0306013
112- NN = 130 : 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 0306013
113-
114- Monoclinic(P), Best Score : Lattice constants, label.
115- M = 1.2713e+001 : 3.3280e+000 2.2186e+000 3.3282e+000 9.0000e+001 1.0947e+002 9.0000e+001 020724
116- Mwu = 1.9056e+001 : 3.3280e+000 2.2186e+000 3.3282e+000 9.0000e+001 1.0947e+002 9.0000e+001 020724
117- Mrev = 7.5304e+000 : 3.3278e+000 1.9218e+000 3.3283e+000 9.0000e+001 1.0948e+002 9.0000e+001 020807
118- Msym = 3.4479e+001 : 3.3280e+000 2.2186e+000 3.3282e+000 9.0000e+001 1.0947e+002 9.0000e+001 020724
119- NN = 40 : 2.1059e+000 3.1384e+000 3.1944e+000 9.0000e+001 1.0285e+002 9.0000e+001 020821
120-
121- Triclinic, Best Score : Lattice constants, label.
122- M = 5.7710e+000 : 2.0742e+000 2.0977e+000 3.2960e+000 1.0682e+002 9.1051e+001 1.0582e+002 0102261
123- Mwu = 6.6050e+000 : 2.0742e+000 2.0977e+000 3.2960e+000 1.0682e+002 9.1051e+001 1.0582e+002 0102261
124- Mrev = 2.2306e+000 : 2.1256e+000 2.3790e+000 2.8183e+000 9.0402e+001 1.0425e+002 1.1037e+002 0102295
125- Msym = 1.2465e+001 : 2.0742e+000 2.0977e+000 3.2960e+000 1.0682e+002 9.1051e+001 1.0582e+002 0102261
126- NN = 13 : 2.0283e+000 2.2928e+000 3.1927e+000 8.0159e+001 8.9475e+001 7.1642e+001 0102216
127-
128- -->
129-
130- <!-- Information on the selected candidates.-->
131- <SelectedLatticeCandidate number="0306013">
132- <CrystalSystem> Monoclinic(B) </CrystalSystem>
133-
134- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
135- <ReducedLatticeParameters> 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 </ReducedLatticeParameters>
136- <OptimizedLatticeParameters> 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 </OptimizedLatticeParameters>
137-
138- <VolumeOfUnitCell> 4.5852e+001 </VolumeOfUnitCell>
139- <FigureOfMeritWolff name="M20"> 1.0474e+002 </FigureOfMeritWolff>
140- <FigureOfMeritWu name="Mwu20"> 1.0540e+002 </FigureOfMeritWu>
141- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0447e+000 </ReversedFigureOfMeritWolff>
142- <SymmetricFigureOfMeritWolff name="Msym20"> 2.1415e+002 </SymmetricFigureOfMeritWolff>
143- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
144- <NumberOfMillerIndicesInRange> 1.0900e+002 </NumberOfMillerIndicesInRange>
145- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
146- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
147-
148- <NumberOfLatticesInNeighborhood> 130 </NumberOfLatticesInNeighborhood>
149-
150- <EquivalentLatticeCandidates>
151- <LatticeCandidate>
152- <CrystalSystem> Triclinic </CrystalSystem>
153- <LatticeParameters> 2.1954e+000 3.3567e+000 3.3567e+000 1.0817e+002 9.7353e+001 9.7353e+001 </LatticeParameters>
154- </LatticeCandidate>
155- </EquivalentLatticeCandidates>
156-
157- </SelectedLatticeCandidate>
158-
159-
160- <!-- Candidates for Cubic(F) -->
161-
162- <LatticeCandidate number="14015">
163- <CrystalSystem> Cubic(F) </CrystalSystem>
164-
165- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
166- <ReducedLatticeParameters> 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
167- <OptimizedLatticeParameters> 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
168-
169- <VolumeOfUnitCell> 1.6051e+002 </VolumeOfUnitCell>
170- <FigureOfMeritWolff name="M20"> 1.4533e+001 </FigureOfMeritWolff>
171- <FigureOfMeritWu name="Mwu20"> 1.0615e+001 </FigureOfMeritWu>
172- <ReversedFigureOfMeritWolff name="Mrev20"> 6.0091e+000 </ReversedFigureOfMeritWolff>
173- <SymmetricFigureOfMeritWolff name="Msym20"> 8.7330e+001 </SymmetricFigureOfMeritWolff>
174- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
175- <NumberOfMillerIndicesInRange> 3.0292e+001 </NumberOfMillerIndicesInRange>
176- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
177- <NumberOfPeaksNecessaryToResolveDominantZone> 3 </NumberOfPeaksNecessaryToResolveDominantZone>
178-
179- <NumberOfLatticesInNeighborhood> 31 </NumberOfLatticesInNeighborhood>
180-
181- <EquivalentLatticeCandidates>
182- <LatticeCandidate>
183- <CrystalSystem> Rhombohedral </CrystalSystem>
184- <LatticeParameters> 3.8529e+000 3.8529e+000 9.4377e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
185- </LatticeCandidate>
186- <LatticeCandidate>
187- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
188- <LatticeParameters> 3.8529e+000 3.8529e+000 5.4489e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
189- </LatticeCandidate>
190- <LatticeCandidate>
191- <CrystalSystem> Monoclinic(B) </CrystalSystem>
192- <LatticeParameters> 5.4489e+000 5.4489e+000 3.8529e+000 9.0000e+001 1.3500e+002 9.0000e+001 </LatticeParameters>
193- </LatticeCandidate>
194- <LatticeCandidate>
195- <CrystalSystem> Monoclinic(B) </CrystalSystem>
196- <LatticeParameters> 6.6735e+000 3.8529e+000 3.8529e+000 9.0000e+001 1.2526e+002 9.0000e+001 </LatticeParameters>
197- </LatticeCandidate>
198- <LatticeCandidate>
199- <CrystalSystem> Triclinic </CrystalSystem>
200- <LatticeParameters> 3.8529e+000 3.8529e+000 3.8529e+000 6.0000e+001 6.0000e+001 6.0000e+001 </LatticeParameters>
201- </LatticeCandidate>
202- </EquivalentLatticeCandidates>
203-
204- </LatticeCandidate>
205-
206-
207-
208- <!-- Candidates for Cubic(I) -->
209-
210-
211-
212- <!-- Candidates for Cubic(P) -->
213-
214-
215-
216- <!-- Candidates for Hexagonal -->
217-
218-
219-
220- <!-- Candidates for Rhombohedral -->
221-
222- <LatticeCandidate number="100899">
223- <CrystalSystem> Rhombohedral </CrystalSystem>
224-
225- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
226- <ReducedLatticeParameters axis="Rhombohedral"> 3.4371e+000 3.4371e+000 3.4371e+000 1.0448e+002 1.0448e+002 1.0448e+002 </ReducedLatticeParameters>
227- <ReducedLatticeParameters axis="Hexagonal"> 5.4345e+000 5.4345e+000 4.2097e+000 9.0000e+001 9.0000e+001 1.2000e+002 </ReducedLatticeParameters>
228-
229- <OptimizedLatticeParameters> 5.4345e+000 5.4345e+000 4.2097e+000 9.0000e+001 9.0000e+001 1.2000e+002 </OptimizedLatticeParameters>
230-
231- <VolumeOfUnitCell axis="Hexagonal"> 1.0767e+002 </VolumeOfUnitCell>
232- <FigureOfMeritWolff name="M20"> 1.7452e+001 </FigureOfMeritWolff>
233- <FigureOfMeritWu name="Mwu20"> 2.1205e+001 </FigureOfMeritWu>
234- <ReversedFigureOfMeritWolff name="Mrev20"> 4.7781e+000 </ReversedFigureOfMeritWolff>
235- <SymmetricFigureOfMeritWolff name="Msym20"> 8.3388e+001 </SymmetricFigureOfMeritWolff>
236- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
237- <NumberOfMillerIndicesInRange> 6.5667e+001 </NumberOfMillerIndicesInRange>
238- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
239- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
240-
241- <NumberOfLatticesInNeighborhood> 166 </NumberOfLatticesInNeighborhood>
242-
243- <EquivalentLatticeCandidates>
244- <LatticeCandidate>
245- <CrystalSystem> Monoclinic(B) </CrystalSystem>
246- <LatticeParameters> 6.6693e+000 3.2839e+000 3.3347e+000 9.0000e+001 1.0949e+002 9.0000e+001 </LatticeParameters>
247- </LatticeCandidate>
248- <LatticeCandidate>
249- <CrystalSystem> Monoclinic(B) </CrystalSystem>
250- <LatticeParameters> 5.4459e+000 4.1164e+000 4.1590e+000 9.0000e+001 1.3090e+002 9.0000e+001 </LatticeParameters>
251- </LatticeCandidate>
252- <LatticeCandidate>
253- <CrystalSystem> Monoclinic(B) </CrystalSystem>
254- <LatticeParameters> 4.2178e+000 5.4459e+000 3.4441e+000 9.0000e+001 1.1411e+002 9.0000e+001 </LatticeParameters>
255- </LatticeCandidate>
256- <LatticeCandidate>
257- <CrystalSystem> Monoclinic(B) </CrystalSystem>
258- <LatticeParameters> 4.1164e+000 6.2873e+000 3.4133e+000 9.0000e+001 1.2708e+002 9.0000e+001 </LatticeParameters>
259- </LatticeCandidate>
260- <LatticeCandidate>
261- <CrystalSystem> Triclinic </CrystalSystem>
262- <LatticeParameters> 3.4441e+000 3.4441e+000 3.4441e+000 1.0449e+002 1.0449e+002 1.0449e+002 </LatticeParameters>
263- </LatticeCandidate>
264- </EquivalentLatticeCandidates>
265-
266- </LatticeCandidate>
267-
268- <LatticeCandidate number="100479">
269- <CrystalSystem> Rhombohedral </CrystalSystem>
270-
271- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
272- <ReducedLatticeParameters axis="Rhombohedral"> 3.8429e+000 3.8429e+000 3.8429e+000 6.0003e+001 6.0003e+001 6.0003e+001 </ReducedLatticeParameters>
273- <ReducedLatticeParameters axis="Hexagonal"> 3.8430e+000 3.8430e+000 9.4129e+000 9.0000e+001 9.0000e+001 1.2000e+002 </ReducedLatticeParameters>
274-
275- <OptimizedLatticeParameters> 3.8430e+000 3.8430e+000 9.4129e+000 9.0000e+001 9.0000e+001 1.2000e+002 </OptimizedLatticeParameters>
276-
277- <VolumeOfUnitCell axis="Hexagonal"> 1.2039e+002 </VolumeOfUnitCell>
278- <FigureOfMeritWolff name="M20"> 5.8777e+000 </FigureOfMeritWolff>
279- <FigureOfMeritWu name="Mwu20"> 1.0775e+001 </FigureOfMeritWu>
280- <ReversedFigureOfMeritWolff name="Mrev20"> 7.1506e+000 </ReversedFigureOfMeritWolff>
281- <SymmetricFigureOfMeritWolff name="Msym20"> 4.2029e+001 </SymmetricFigureOfMeritWolff>
282- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
283- <NumberOfMillerIndicesInRange> 7.6167e+001 </NumberOfMillerIndicesInRange>
284- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
285- <NumberOfPeaksNecessaryToResolveDominantZone> 3 </NumberOfPeaksNecessaryToResolveDominantZone>
286-
287- <NumberOfLatticesInNeighborhood> 357 </NumberOfLatticesInNeighborhood>
288-
289- <EquivalentLatticeCandidates>
290- <LatticeCandidate>
291- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
292- <LatticeParameters> 3.8443e+000 3.8484e+000 5.4396e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
293- </LatticeCandidate>
294- <LatticeCandidate>
295- <CrystalSystem> Monoclinic(B) </CrystalSystem>
296- <LatticeParameters> 6.6562e+000 3.8484e+000 3.8443e+000 9.0000e+001 1.2519e+002 9.0000e+001 </LatticeParameters>
297- </LatticeCandidate>
298- <LatticeCandidate>
299- <CrystalSystem> Monoclinic(B) </CrystalSystem>
300- <LatticeParameters> 6.6633e+000 3.8443e+000 3.8484e+000 9.0000e+001 1.2528e+002 9.0000e+001 </LatticeParameters>
301- </LatticeCandidate>
302- <LatticeCandidate>
303- <CrystalSystem> Monoclinic(B) </CrystalSystem>
304- <LatticeParameters> 5.4396e+000 5.4396e+000 3.8443e+000 9.0000e+001 1.3497e+002 9.0000e+001 </LatticeParameters>
305- </LatticeCandidate>
306- <LatticeCandidate>
307- <CrystalSystem> Triclinic </CrystalSystem>
308- <LatticeParameters> 3.8443e+000 3.8443e+000 3.8443e+000 6.0071e+001 6.0071e+001 6.0071e+001 </LatticeParameters>
309- </LatticeCandidate>
310- </EquivalentLatticeCandidates>
311-
312- </LatticeCandidate>
313-
314-
315-
316- <!-- Candidates for Tetragonal(I) -->
317-
318- <LatticeCandidate number="09074">
319- <CrystalSystem> Tetragonal(I) </CrystalSystem>
320-
321- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
322- <ReducedLatticeParameters> 3.8427e+000 3.8427e+000 5.4351e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
323- <OptimizedLatticeParameters> 3.8427e+000 3.8427e+000 5.4351e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
324-
325- <VolumeOfUnitCell> 8.0258e+001 </VolumeOfUnitCell>
326- <FigureOfMeritWolff name="M20"> 6.9669e+000 </FigureOfMeritWolff>
327- <FigureOfMeritWu name="Mwu20"> 1.0770e+001 </FigureOfMeritWu>
328- <ReversedFigureOfMeritWolff name="Mrev20"> 5.7434e+000 </ReversedFigureOfMeritWolff>
329- <SymmetricFigureOfMeritWolff name="Msym20"> 4.0014e+001 </SymmetricFigureOfMeritWolff>
330- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
331- <NumberOfMillerIndicesInRange> 6.4375e+001 </NumberOfMillerIndicesInRange>
332- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
333- <NumberOfPeaksNecessaryToResolveDominantZone> 3 </NumberOfPeaksNecessaryToResolveDominantZone>
334-
335- <NumberOfLatticesInNeighborhood> 177 </NumberOfLatticesInNeighborhood>
336-
337- <EquivalentLatticeCandidates>
338- <LatticeCandidate>
339- <CrystalSystem> Rhombohedral </CrystalSystem>
340- <LatticeParameters> 5.6803e+000 5.6803e+000 3.6439e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
341- </LatticeCandidate>
342- <LatticeCandidate>
343- <CrystalSystem> Rhombohedral </CrystalSystem>
344- <LatticeParameters> 5.6744e+000 5.6744e+000 3.6482e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
345- </LatticeCandidate>
346- <LatticeCandidate>
347- <CrystalSystem> Rhombohedral </CrystalSystem>
348- <LatticeParameters> 5.6744e+000 5.6744e+000 3.6450e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
349- </LatticeCandidate>
350- <LatticeCandidate>
351- <CrystalSystem> Rhombohedral </CrystalSystem>
352- <LatticeParameters> 3.8434e+000 3.8434e+000 9.4132e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
353- </LatticeCandidate>
354- <LatticeCandidate>
355- <CrystalSystem> Rhombohedral </CrystalSystem>
356- <LatticeParameters> 3.8420e+000 3.8420e+000 9.4132e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
357- </LatticeCandidate>
358- <LatticeCandidate>
359- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
360- <LatticeParameters> 5.4321e+000 5.4321e+000 5.4399e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
361- </LatticeCandidate>
362- <LatticeCandidate>
363- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
364- <LatticeParameters> 3.8438e+000 6.2754e+000 6.2754e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
365- </LatticeCandidate>
366- <LatticeCandidate>
367- <CrystalSystem> Monoclinic(B) </CrystalSystem>
368- <LatticeParameters> 6.6593e+000 3.8411e+000 3.8411e+000 9.0000e+001 1.2523e+002 9.0000e+001 </LatticeParameters>
369- </LatticeCandidate>
370- <LatticeCandidate>
371- <CrystalSystem> Monoclinic(B) </CrystalSystem>
372- <LatticeParameters> 3.8438e+000 6.2754e+000 3.6776e+000 9.0000e+001 1.2144e+002 9.0000e+001 </LatticeParameters>
373- </LatticeCandidate>
374- <LatticeCandidate>
375- <CrystalSystem> Monoclinic(B) </CrystalSystem>
376- <LatticeParameters> 6.6545e+000 3.8438e+000 3.8438e+000 9.0000e+001 1.2528e+002 9.0000e+001 </LatticeParameters>
377- </LatticeCandidate>
378- <LatticeCandidate>
379- <CrystalSystem> Monoclinic(B) </CrystalSystem>
380- <LatticeParameters> 5.4321e+000 5.4321e+000 3.8438e+000 9.0000e+001 1.3496e+002 9.0000e+001 </LatticeParameters>
381- </LatticeCandidate>
382- <LatticeCandidate>
383- <CrystalSystem> Monoclinic(B) </CrystalSystem>
384- <LatticeParameters> 5.4321e+000 5.4399e+000 3.8411e+000 9.0000e+001 1.3500e+002 9.0000e+001 </LatticeParameters>
385- </LatticeCandidate>
386- <LatticeCandidate>
387- <CrystalSystem> Monoclinic(B) </CrystalSystem>
388- <LatticeParameters> 3.8411e+000 6.2754e+000 3.6788e+000 9.0000e+001 1.2147e+002 9.0000e+001 </LatticeParameters>
389- </LatticeCandidate>
390- <LatticeCandidate>
391- <CrystalSystem> Triclinic </CrystalSystem>
392- <LatticeParameters> 3.8411e+000 3.8411e+000 3.8438e+000 1.1998e+002 1.1998e+002 9.0000e+001 </LatticeParameters>
393- </LatticeCandidate>
394- </EquivalentLatticeCandidates>
395-
396- </LatticeCandidate>
397-
398- <LatticeCandidate number="0901">
399- <CrystalSystem> Tetragonal(I) </CrystalSystem>
400-
401- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
402- <ReducedLatticeParameters> 5.4550e+000 5.4550e+000 3.8360e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
403- <OptimizedLatticeParameters> 5.4550e+000 5.4550e+000 3.8360e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
404-
405- <VolumeOfUnitCell> 1.1415e+002 </VolumeOfUnitCell>
406- <FigureOfMeritWolff name="M20"> 3.1436e+000 </FigureOfMeritWolff>
407- <FigureOfMeritWu name="Mwu20"> 3.2649e+000 </FigureOfMeritWu>
408- <ReversedFigureOfMeritWolff name="Mrev20"> 2.5947e+000 </ReversedFigureOfMeritWolff>
409- <SymmetricFigureOfMeritWolff name="Msym20"> 8.1568e+000 </SymmetricFigureOfMeritWolff>
410- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
411- <NumberOfMillerIndicesInRange> 8.6500e+001 </NumberOfMillerIndicesInRange>
412- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
413- <NumberOfPeaksNecessaryToResolveDominantZone> 3 </NumberOfPeaksNecessaryToResolveDominantZone>
414-
415- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
416-
417- <EquivalentLatticeCandidates>
418- <LatticeCandidate>
419- <CrystalSystem> Rhombohedral </CrystalSystem>
420- <LatticeParameters> 5.7073e+000 5.7073e+000 4.9427e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
421- </LatticeCandidate>
422- <LatticeCandidate>
423- <CrystalSystem> Rhombohedral </CrystalSystem>
424- <LatticeParameters> 5.9932e+000 5.9932e+000 3.7418e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
425- </LatticeCandidate>
426- <LatticeCandidate>
427- <CrystalSystem> Rhombohedral </CrystalSystem>
428- <LatticeParameters> 4.8891e+000 4.8891e+000 9.4341e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
429- </LatticeCandidate>
430- <LatticeCandidate>
431- <CrystalSystem> Rhombohedral </CrystalSystem>
432- <LatticeParameters> 4.0759e+000 4.0759e+000 1.1606e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
433- </LatticeCandidate>
434- <LatticeCandidate>
435- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
436- <LatticeParameters> 3.8430e+000 7.7372e+000 7.7372e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
437- </LatticeCandidate>
438- <LatticeCandidate>
439- <CrystalSystem> Monoclinic(B) </CrystalSystem>
440- <LatticeParameters> 6.8836e+000 4.1278e+000 4.2341e+000 9.0000e+001 1.1398e+002 9.0000e+001 </LatticeParameters>
441- </LatticeCandidate>
442- <LatticeCandidate>
443- <CrystalSystem> Monoclinic(B) </CrystalSystem>
444- <LatticeParameters> 3.8430e+000 7.7372e+000 4.3195e+000 9.0000e+001 1.1641e+002 9.0000e+001 </LatticeParameters>
445- </LatticeCandidate>
446- <LatticeCandidate>
447- <CrystalSystem> Monoclinic(B) </CrystalSystem>
448- <LatticeParameters> 7.7372e+000 3.8430e+000 5.4710e+000 9.0000e+001 1.3500e+002 9.0000e+001 </LatticeParameters>
449- </LatticeCandidate>
450- <LatticeCandidate>
451- <CrystalSystem> Monoclinic(B) </CrystalSystem>
452- <LatticeParameters> 6.6858e+000 5.4710e+000 3.8430e+000 9.0000e+001 1.2509e+002 9.0000e+001 </LatticeParameters>
453- </LatticeCandidate>
454- <LatticeCandidate>
455- <CrystalSystem> Monoclinic(B) </CrystalSystem>
456- <LatticeParameters> 4.2830e+000 6.2894e+000 4.0140e+000 9.0000e+001 1.0547e+002 9.0000e+001 </LatticeParameters>
457- </LatticeCandidate>
458- <LatticeCandidate>
459- <CrystalSystem> Monoclinic(B) </CrystalSystem>
460- <LatticeParameters> 4.1279e+000 7.7372e+000 3.7515e+000 9.0000e+001 1.2304e+002 9.0000e+001 </LatticeParameters>
461- </LatticeCandidate>
462- <LatticeCandidate>
463- <CrystalSystem> Triclinic </CrystalSystem>
464- <LatticeParameters> 3.8430e+000 4.3195e+000 4.3195e+000 7.8587e+001 6.3587e+001 6.3587e+001 </LatticeParameters>
465- </LatticeCandidate>
466- </EquivalentLatticeCandidates>
467-
468- </LatticeCandidate>
469-
470-
471-
472- <!-- Candidates for Tetragonal(P) -->
473-
474- <LatticeCandidate number="0803">
475- <CrystalSystem> Tetragonal(P) </CrystalSystem>
476-
477- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
478- <ReducedLatticeParameters> 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
479- <OptimizedLatticeParameters> 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
480-
481- <VolumeOfUnitCell> 2.9783e+001 </VolumeOfUnitCell>
482- <FigureOfMeritWolff name="M20"> 3.1744e+000 </FigureOfMeritWolff>
483- <FigureOfMeritWu name="Mwu20"> 2.7407e+000 </FigureOfMeritWu>
484- <ReversedFigureOfMeritWolff name="Mrev20"> 2.3321e+000 </ReversedFigureOfMeritWolff>
485- <SymmetricFigureOfMeritWolff name="Msym20"> 7.4028e+000 </SymmetricFigureOfMeritWolff>
486- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
487- <NumberOfMillerIndicesInRange> 5.3500e+001 </NumberOfMillerIndicesInRange>
488- <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks>
489- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
490-
491- <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood>
492-
493- <EquivalentLatticeCandidates>
494- <LatticeCandidate>
495- <CrystalSystem> Rhombohedral </CrystalSystem>
496- <LatticeParameters> 4.8450e+000 4.8450e+000 2.7588e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
497- </LatticeCandidate>
498- <LatticeCandidate>
499- <CrystalSystem> Rhombohedral </CrystalSystem>
500- <LatticeParameters> 4.8450e+000 4.8450e+000 2.2386e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
501- </LatticeCandidate>
502- <LatticeCandidate>
503- <CrystalSystem> Rhombohedral </CrystalSystem>
504- <LatticeParameters> 4.3999e+000 4.3999e+000 5.3610e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
505- </LatticeCandidate>
506- <LatticeCandidate>
507- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
508- <LatticeParameters> 4.3549e+000 4.3549e+000 4.4229e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
509- </LatticeCandidate>
510- <LatticeCandidate>
511- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
512- <LatticeParameters> 2.7798e+000 2.7798e+000 6.0669e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
513- </LatticeCandidate>
514- <LatticeCandidate>
515- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
516- <LatticeParameters> 2.5016e+000 4.4229e+000 4.4229e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
517- </LatticeCandidate>
518- <LatticeCandidate>
519- <CrystalSystem> Monoclinic(B) </CrystalSystem>
520- <LatticeParameters> 4.4229e+000 4.4229e+000 3.0335e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
521- </LatticeCandidate>
522- <LatticeCandidate>
523- <CrystalSystem> Monoclinic(B) </CrystalSystem>
524- <LatticeParameters> 5.0814e+000 4.4229e+000 2.5016e+000 9.0000e+001 1.1949e+002 9.0000e+001 </LatticeParameters>
525- </LatticeCandidate>
526- <LatticeCandidate>
527- <CrystalSystem> Monoclinic(B) </CrystalSystem>
528- <LatticeParameters> 6.2549e+000 2.5016e+000 4.4229e+000 9.0000e+001 1.3500e+002 9.0000e+001 </LatticeParameters>
529- </LatticeCandidate>
530- <LatticeCandidate>
531- <CrystalSystem> Monoclinic(B) </CrystalSystem>
532- <LatticeParameters> 4.3549e+000 4.3549e+000 3.1275e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
533- </LatticeCandidate>
534- <LatticeCandidate>
535- <CrystalSystem> Monoclinic(B) </CrystalSystem>
536- <LatticeParameters> 5.0033e+000 4.3549e+000 2.5407e+000 9.0000e+001 1.1949e+002 9.0000e+001 </LatticeParameters>
537- </LatticeCandidate>
538- <LatticeCandidate>
539- <CrystalSystem> Monoclinic(B) </CrystalSystem>
540- <LatticeParameters> 2.7294e+000 6.2549e+000 3.1275e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
541- </LatticeCandidate>
542- </EquivalentLatticeCandidates>
543-
544- </LatticeCandidate>
545-
546-
547-
548- <!-- Candidates for Orthorhombic(F) -->
549-
550- <LatticeCandidate number="070135">
551- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
552-
553- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
554- <ReducedLatticeParameters> 4.7054e+000 5.4269e+000 6.9250e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
555- <OptimizedLatticeParameters> 4.7054e+000 5.4269e+000 6.9250e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
556-
557- <VolumeOfUnitCell> 1.7683e+002 </VolumeOfUnitCell>
558- <FigureOfMeritWolff name="M20"> 5.4855e+000 </FigureOfMeritWolff>
559- <FigureOfMeritWu name="Mwu20"> 4.9841e+000 </FigureOfMeritWu>
560- <ReversedFigureOfMeritWolff name="Mrev20"> 2.1003e+000 </ReversedFigureOfMeritWolff>
561- <SymmetricFigureOfMeritWolff name="Msym20"> 1.1521e+001 </SymmetricFigureOfMeritWolff>
562- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
563- <NumberOfMillerIndicesInRange> 1.1850e+002 </NumberOfMillerIndicesInRange>
564- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
565- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
566-
567- <NumberOfLatticesInNeighborhood> 29 </NumberOfLatticesInNeighborhood>
568-
569- <EquivalentLatticeCandidates>
570- <LatticeCandidate>
571- <CrystalSystem> Rhombohedral </CrystalSystem>
572- <LatticeParameters> 5.1144e+000 5.1144e+000 4.3771e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
573- </LatticeCandidate>
574- <LatticeCandidate>
575- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
576- <LatticeParameters> 3.5620e+000 3.5620e+000 6.9209e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
577- </LatticeCandidate>
578- <LatticeCandidate>
579- <CrystalSystem> Monoclinic(B) </CrystalSystem>
580- <LatticeParameters> 5.4289e+000 4.7201e+000 4.3981e+000 9.0000e+001 1.2811e+002 9.0000e+001 </LatticeParameters>
581- </LatticeCandidate>
582- <LatticeCandidate>
583- <CrystalSystem> Monoclinic(B) </CrystalSystem>
584- <LatticeParameters> 4.7201e+000 6.9209e+000 3.5970e+000 9.0000e+001 1.3101e+002 9.0000e+001 </LatticeParameters>
585- </LatticeCandidate>
586- <LatticeCandidate>
587- <CrystalSystem> Monoclinic(B) </CrystalSystem>
588- <LatticeParameters> 4.7201e+000 5.4289e+000 4.1886e+000 9.0000e+001 1.2429e+002 9.0000e+001 </LatticeParameters>
589- </LatticeCandidate>
590- <LatticeCandidate>
591- <CrystalSystem> Triclinic </CrystalSystem>
592- <LatticeParameters> 3.5970e+000 3.5970e+000 4.1886e+000 1.1170e+002 1.1170e+002 9.7989e+001 </LatticeParameters>
593- </LatticeCandidate>
594- </EquivalentLatticeCandidates>
595-
596- </LatticeCandidate>
597-
598- <LatticeCandidate number="070499">
599- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
600-
601- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
602- <ReducedLatticeParameters> 3.8365e+000 5.4300e+000 6.2726e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
603- <OptimizedLatticeParameters> 3.8365e+000 5.4300e+000 6.2726e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
604-
605- <VolumeOfUnitCell> 1.3067e+002 </VolumeOfUnitCell>
606- <FigureOfMeritWolff name="M20"> 4.3112e+000 </FigureOfMeritWolff>
607- <FigureOfMeritWu name="Mwu20"> 4.5088e+000 </FigureOfMeritWu>
608- <ReversedFigureOfMeritWolff name="Mrev20"> 2.4732e+000 </ReversedFigureOfMeritWolff>
609- <SymmetricFigureOfMeritWolff name="Msym20"> 1.0663e+001 </SymmetricFigureOfMeritWolff>
610- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
611- <NumberOfMillerIndicesInRange> 9.0000e+001 </NumberOfMillerIndicesInRange>
612- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
613- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
614-
615- <NumberOfLatticesInNeighborhood> 24 </NumberOfLatticesInNeighborhood>
616-
617- <EquivalentLatticeCandidates>
618- <LatticeCandidate>
619- <CrystalSystem> Rhombohedral </CrystalSystem>
620- <LatticeParameters> 5.6946e+000 5.6946e+000 3.3069e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
621- </LatticeCandidate>
622- <LatticeCandidate>
623- <CrystalSystem> Rhombohedral </CrystalSystem>
624- <LatticeParameters> 3.5617e+000 3.5617e+000 9.4096e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
625- </LatticeCandidate>
626- <LatticeCandidate>
627- <CrystalSystem> Monoclinic(B) </CrystalSystem>
628- <LatticeParameters> 5.3846e+000 3.8408e+000 4.1336e+000 9.0000e+001 1.3064e+002 9.0000e+001 </LatticeParameters>
629- </LatticeCandidate>
630- <LatticeCandidate>
631- <CrystalSystem> Monoclinic(B) </CrystalSystem>
632- <LatticeParameters> 3.8408e+000 5.3846e+000 3.6778e+000 9.0000e+001 1.2148e+002 9.0000e+001 </LatticeParameters>
633- </LatticeCandidate>
634- <LatticeCandidate>
635- <CrystalSystem> Monoclinic(B) </CrystalSystem>
636- <LatticeParameters> 3.8408e+000 6.2731e+000 3.3070e+000 9.0000e+001 1.2550e+002 9.0000e+001 </LatticeParameters>
637- </LatticeCandidate>
638- <LatticeCandidate>
639- <CrystalSystem> Monoclinic(B) </CrystalSystem>
640- <LatticeParameters> 3.2687e+000 6.2731e+000 2.9254e+000 9.0000e+001 1.0694e+002 9.0000e+001 </LatticeParameters>
641- </LatticeCandidate>
642- <LatticeCandidate>
643- <CrystalSystem> Triclinic </CrystalSystem>
644- <LatticeParameters> 3.3070e+000 3.3070e+000 3.6778e+000 1.0765e+002 1.0765e+002 1.0900e+002 </LatticeParameters>
645- </LatticeCandidate>
646- </EquivalentLatticeCandidates>
647-
648- </LatticeCandidate>
649-
650- <LatticeCandidate number="070241">
651- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
652-
653- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
654- <ReducedLatticeParameters> 5.4343e+000 5.4347e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
655- <OptimizedLatticeParameters> 5.4343e+000 5.4347e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
656-
657- <VolumeOfUnitCell> 1.6052e+002 </VolumeOfUnitCell>
658- <FigureOfMeritWolff name="M20"> 4.2380e+000 </FigureOfMeritWolff>
659- <FigureOfMeritWu name="Mwu20"> 1.0808e+001 </FigureOfMeritWu>
660- <ReversedFigureOfMeritWolff name="Mrev20"> 5.5842e+000 </ReversedFigureOfMeritWolff>
661- <SymmetricFigureOfMeritWolff name="Msym20"> 2.3666e+001 </SymmetricFigureOfMeritWolff>
662- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
663- <NumberOfMillerIndicesInRange> 1.0625e+002 </NumberOfMillerIndicesInRange>
664- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
665- <NumberOfPeaksNecessaryToResolveDominantZone> 3 </NumberOfPeaksNecessaryToResolveDominantZone>
666-
667- <NumberOfLatticesInNeighborhood> 28 </NumberOfLatticesInNeighborhood>
668-
669- <EquivalentLatticeCandidates>
670- <LatticeCandidate>
671- <CrystalSystem> Rhombohedral </CrystalSystem>
672- <LatticeParameters> 3.8433e+000 3.8433e+000 9.4147e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
673- </LatticeCandidate>
674- <LatticeCandidate>
675- <CrystalSystem> Rhombohedral </CrystalSystem>
676- <LatticeParameters> 3.8434e+000 3.8434e+000 9.4147e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
677- </LatticeCandidate>
678- <LatticeCandidate>
679- <CrystalSystem> Rhombohedral </CrystalSystem>
680- <LatticeParameters> 3.8440e+000 3.8440e+000 9.4147e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
681- </LatticeCandidate>
682- <LatticeCandidate>
683- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
684- <LatticeParameters> 3.8430e+000 3.8430e+000 5.4372e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
685- </LatticeCandidate>
686- <LatticeCandidate>
687- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
688- <LatticeParameters> 3.8444e+000 3.8444e+000 5.4331e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
689- </LatticeCandidate>
690- <LatticeCandidate>
691- <CrystalSystem> Monoclinic(B) </CrystalSystem>
692- <LatticeParameters> 5.4331e+000 5.4365e+000 3.8432e+000 9.0000e+001 1.3498e+002 9.0000e+001 </LatticeParameters>
693- </LatticeCandidate>
694- <LatticeCandidate>
695- <CrystalSystem> Monoclinic(B) </CrystalSystem>
696- <LatticeParameters> 6.6582e+000 3.8430e+000 3.8430e+000 9.0000e+001 1.2525e+002 9.0000e+001 </LatticeParameters>
697- </LatticeCandidate>
698- <LatticeCandidate>
699- <CrystalSystem> Monoclinic(B) </CrystalSystem>
700- <LatticeParameters> 5.4331e+000 5.4372e+000 3.8430e+000 9.0000e+001 1.3498e+002 9.0000e+001 </LatticeParameters>
701- </LatticeCandidate>
702- <LatticeCandidate>
703- <CrystalSystem> Monoclinic(B) </CrystalSystem>
704- <LatticeParameters> 6.6557e+000 3.8444e+000 3.8444e+000 9.0000e+001 1.2528e+002 9.0000e+001 </LatticeParameters>
705- </LatticeCandidate>
706- <LatticeCandidate>
707- <CrystalSystem> Monoclinic(B) </CrystalSystem>
708- <LatticeParameters> 6.6577e+000 3.8432e+000 3.8432e+000 9.0000e+001 1.2526e+002 9.0000e+001 </LatticeParameters>
709- </LatticeCandidate>
710- <LatticeCandidate>
711- <CrystalSystem> Monoclinic(B) </CrystalSystem>
712- <LatticeParameters> 5.4365e+000 5.4331e+000 3.8444e+000 9.0000e+001 1.3500e+002 9.0000e+001 </LatticeParameters>
713- </LatticeCandidate>
714- <LatticeCandidate>
715- <CrystalSystem> Triclinic </CrystalSystem>
716- <LatticeParameters> 3.8430e+000 3.8430e+000 3.8432e+000 1.1998e+002 1.1998e+002 9.0036e+001 </LatticeParameters>
717- </LatticeCandidate>
718- </EquivalentLatticeCandidates>
719-
720- </LatticeCandidate>
721-
722- <LatticeCandidate number="070550">
723- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
724-
725- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
726- <ReducedLatticeParameters> 2.3157e+000 6.2771e+000 7.6860e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
727- <OptimizedLatticeParameters> 2.3157e+000 6.2771e+000 7.6860e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
728-
729- <VolumeOfUnitCell> 1.1172e+002 </VolumeOfUnitCell>
730- <FigureOfMeritWolff name="M20"> 3.8363e+000 </FigureOfMeritWolff>
731- <FigureOfMeritWu name="Mwu20"> 3.2437e+000 </FigureOfMeritWu>
732- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0360e+000 </ReversedFigureOfMeritWolff>
733- <SymmetricFigureOfMeritWolff name="Msym20"> 7.8109e+000 </SymmetricFigureOfMeritWolff>
734- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
735- <NumberOfMillerIndicesInRange> 8.1500e+001 </NumberOfMillerIndicesInRange>
736- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
737- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
738-
739- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
740-
741- <EquivalentLatticeCandidates>
742- <LatticeCandidate>
743- <CrystalSystem> Monoclinic(B) </CrystalSystem>
744- <LatticeParameters> 2.3240e+000 6.2731e+000 4.0233e+000 9.0000e+001 1.0679e+002 9.0000e+001 </LatticeParameters>
745- </LatticeCandidate>
746- <LatticeCandidate>
747- <CrystalSystem> Monoclinic(B) </CrystalSystem>
748- <LatticeParameters> 2.3240e+000 7.7037e+000 3.3449e+000 9.0000e+001 1.1033e+002 9.0000e+001 </LatticeParameters>
749- </LatticeCandidate>
750- <LatticeCandidate>
751- <CrystalSystem> Monoclinic(B) </CrystalSystem>
752- <LatticeParameters> 6.2731e+000 2.3240e+000 4.9674e+000 9.0000e+001 1.2916e+002 9.0000e+001 </LatticeParameters>
753- </LatticeCandidate>
754- <LatticeCandidate>
755- <CrystalSystem> Triclinic </CrystalSystem>
756- <LatticeParameters> 2.3240e+000 3.3449e+000 4.0233e+000 8.4241e+001 7.3213e+001 6.9672e+001 </LatticeParameters>
757- </LatticeCandidate>
758- </EquivalentLatticeCandidates>
759-
760- </LatticeCandidate>
761-
762- <LatticeCandidate number="070495">
763- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
764-
765- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
766- <ReducedLatticeParameters> 2.7174e+000 6.2753e+000 7.6854e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
767- <OptimizedLatticeParameters> 2.7174e+000 6.2753e+000 7.6854e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
768-
769- <VolumeOfUnitCell> 1.3106e+002 </VolumeOfUnitCell>
770- <FigureOfMeritWolff name="M20"> 3.2180e+000 </FigureOfMeritWolff>
771- <FigureOfMeritWu name="Mwu20"> 3.3268e+000 </FigureOfMeritWu>
772- <ReversedFigureOfMeritWolff name="Mrev20"> 1.9395e+000 </ReversedFigureOfMeritWolff>
773- <SymmetricFigureOfMeritWolff name="Msym20"> 6.2414e+000 </SymmetricFigureOfMeritWolff>
774- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
775- <NumberOfMillerIndicesInRange> 9.0250e+001 </NumberOfMillerIndicesInRange>
776- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
777- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
778-
779- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
780-
781- <EquivalentLatticeCandidates>
782- <LatticeCandidate>
783- <CrystalSystem> Monoclinic(B) </CrystalSystem>
784- <LatticeParameters> 6.2731e+000 2.7078e+000 4.9501e+000 9.0000e+001 1.2932e+002 9.0000e+001 </LatticeParameters>
785- </LatticeCandidate>
786- <LatticeCandidate>
787- <CrystalSystem> Monoclinic(B) </CrystalSystem>
788- <LatticeParameters> 2.7078e+000 7.6590e+000 3.4163e+000 9.0000e+001 1.1335e+002 9.0000e+001 </LatticeParameters>
789- </LatticeCandidate>
790- <LatticeCandidate>
791- <CrystalSystem> Monoclinic(B) </CrystalSystem>
792- <LatticeParameters> 2.7078e+000 6.2731e+000 4.0618e+000 9.0000e+001 1.0947e+002 9.0000e+001 </LatticeParameters>
793- </LatticeCandidate>
794- <LatticeCandidate>
795- <CrystalSystem> Triclinic </CrystalSystem>
796- <LatticeParameters> 2.7078e+000 3.4163e+000 4.0618e+000 8.2409e+001 7.0529e+001 6.6652e+001 </LatticeParameters>
797- </LatticeCandidate>
798- </EquivalentLatticeCandidates>
799-
800- </LatticeCandidate>
801-
802-
803-
804- <!-- Candidates for Orthorhombic(I) -->
805-
806- <LatticeCandidate number="060621">
807- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
808-
809- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
810- <ReducedLatticeParameters> 2.2184e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
811- <OptimizedLatticeParameters> 2.2184e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
812-
813- <VolumeOfUnitCell> 4.6330e+001 </VolumeOfUnitCell>
814- <FigureOfMeritWolff name="M20"> 1.6015e+001 </FigureOfMeritWolff>
815- <FigureOfMeritWu name="Mwu20"> 2.1286e+001 </FigureOfMeritWu>
816- <ReversedFigureOfMeritWolff name="Mrev20"> 4.0748e+000 </ReversedFigureOfMeritWolff>
817- <SymmetricFigureOfMeritWolff name="Msym20"> 6.5257e+001 </SymmetricFigureOfMeritWolff>
818- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
819- <NumberOfMillerIndicesInRange> 7.2000e+001 </NumberOfMillerIndicesInRange>
820- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
821- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
822-
823- <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood>
824-
825- <EquivalentLatticeCandidates>
826- <LatticeCandidate>
827- <CrystalSystem> Monoclinic(B) </CrystalSystem>
828- <LatticeParameters> 4.3962e+000 5.4382e+000 2.1333e+000 9.0000e+001 1.1903e+002 9.0000e+001 </LatticeParameters>
829- </LatticeCandidate>
830- <LatticeCandidate>
831- <CrystalSystem> Monoclinic(B) </CrystalSystem>
832- <LatticeParameters> 5.8416e+000 3.8439e+000 2.1333e+000 9.0000e+001 1.1142e+002 9.0000e+001 </LatticeParameters>
833- </LatticeCandidate>
834- <LatticeCandidate>
835- <CrystalSystem> Monoclinic(B) </CrystalSystem>
836- <LatticeParameters> 6.6595e+000 2.1333e+000 3.8439e+000 9.0000e+001 1.2525e+002 9.0000e+001 </LatticeParameters>
837- </LatticeCandidate>
838- <LatticeCandidate>
839- <CrystalSystem> Triclinic </CrystalSystem>
840- <LatticeParameters> 2.1333e+000 3.4964e+000 3.4964e+000 1.0210e+002 1.0776e+002 1.0776e+002 </LatticeParameters>
841- </LatticeCandidate>
842- </EquivalentLatticeCandidates>
843-
844- </LatticeCandidate>
845-
846- <LatticeCandidate number="060474">
847- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
848-
849- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
850- <ReducedLatticeParameters> 3.0150e+000 3.8427e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
851- <OptimizedLatticeParameters> 3.0150e+000 3.8427e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
852-
853- <VolumeOfUnitCell> 6.2965e+001 </VolumeOfUnitCell>
854- <FigureOfMeritWolff name="M20"> 5.3903e+000 </FigureOfMeritWolff>
855- <FigureOfMeritWu name="Mwu20"> 5.3575e+000 </FigureOfMeritWu>
856- <ReversedFigureOfMeritWolff name="Mrev20"> 1.9857e+000 </ReversedFigureOfMeritWolff>
857- <SymmetricFigureOfMeritWolff name="Msym20"> 1.0704e+001 </SymmetricFigureOfMeritWolff>
858- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
859- <NumberOfMillerIndicesInRange> 9.0000e+001 </NumberOfMillerIndicesInRange>
860- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
861- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
862-
863- <NumberOfLatticesInNeighborhood> 15 </NumberOfLatticesInNeighborhood>
864-
865- <EquivalentLatticeCandidates>
866- <LatticeCandidate>
867- <CrystalSystem> Rhombohedral </CrystalSystem>
868- <LatticeParameters> 5.4025e+000 5.4025e+000 3.5330e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
869- </LatticeCandidate>
870- <LatticeCandidate>
871- <CrystalSystem> Rhombohedral </CrystalSystem>
872- <LatticeParameters> 3.7427e+000 3.7427e+000 8.0204e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
873- </LatticeCandidate>
874- <LatticeCandidate>
875- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
876- <LatticeParameters> 3.5924e+000 5.3469e+000 6.2549e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
877- </LatticeCandidate>
878- <LatticeCandidate>
879- <CrystalSystem> Monoclinic(B) </CrystalSystem>
880- <LatticeParameters> 6.2393e+000 3.8254e+000 3.0714e+000 9.0000e+001 1.1949e+002 9.0000e+001 </LatticeParameters>
881- </LatticeCandidate>
882- <LatticeCandidate>
883- <CrystalSystem> Monoclinic(B) </CrystalSystem>
884- <LatticeParameters> 6.6430e+000 3.0714e+000 3.8254e+000 9.0000e+001 1.2516e+002 9.0000e+001 </LatticeParameters>
885- </LatticeCandidate>
886- <LatticeCandidate>
887- <CrystalSystem> Monoclinic(B) </CrystalSystem>
888- <LatticeParameters> 4.9058e+000 5.4310e+000 3.0714e+000 9.0000e+001 1.2876e+002 9.0000e+001 </LatticeParameters>
889- </LatticeCandidate>
890- <LatticeCandidate>
891- <CrystalSystem> Monoclinic(B) </CrystalSystem>
892- <LatticeParameters> 5.5756e+000 3.5924e+000 3.6405e+000 9.0000e+001 1.2079e+002 9.0000e+001 </LatticeParameters>
893- </LatticeCandidate>
894- <LatticeCandidate>
895- <CrystalSystem> Monoclinic(B) </CrystalSystem>
896- <LatticeParameters> 4.7899e+000 4.7899e+000 3.6207e+000 9.0000e+001 1.3141e+002 9.0000e+001 </LatticeParameters>
897- </LatticeCandidate>
898- <LatticeCandidate>
899- <CrystalSystem> Monoclinic(B) </CrystalSystem>
900- <LatticeParameters> 3.0714e+000 6.2549e+000 3.4842e+000 9.0000e+001 1.1615e+002 9.0000e+001 </LatticeParameters>
901- </LatticeCandidate>
902- <LatticeCandidate>
903- <CrystalSystem> Triclinic </CrystalSystem>
904- <LatticeParameters> 3.0714e+000 3.6593e+000 3.6593e+000 6.3026e+001 6.5187e+001 6.5187e+001 </LatticeParameters>
905- </LatticeCandidate>
906- </EquivalentLatticeCandidates>
907-
908- </LatticeCandidate>
909-
910- <LatticeCandidate number="060533">
911- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
912-
913- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
914- <ReducedLatticeParameters> 2.6067e+000 3.8459e+000 5.4341e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
915- <OptimizedLatticeParameters> 2.6067e+000 3.8459e+000 5.4341e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
916-
917- <VolumeOfUnitCell> 5.4477e+001 </VolumeOfUnitCell>
918- <FigureOfMeritWolff name="M20"> 5.2736e+000 </FigureOfMeritWolff>
919- <FigureOfMeritWu name="Mwu20"> 4.5788e+000 </FigureOfMeritWu>
920- <ReversedFigureOfMeritWolff name="Mrev20"> 1.6620e+000 </ReversedFigureOfMeritWolff>
921- <SymmetricFigureOfMeritWolff name="Msym20"> 8.7646e+000 </SymmetricFigureOfMeritWolff>
922- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
923- <NumberOfMillerIndicesInRange> 8.2500e+001 </NumberOfMillerIndicesInRange>
924- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
925- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
926-
927- <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood>
928-
929- <EquivalentLatticeCandidates>
930- <LatticeCandidate>
931- <CrystalSystem> Rhombohedral </CrystalSystem>
932- <LatticeParameters> 5.6871e+000 5.6871e+000 2.5319e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
933- </LatticeCandidate>
934- <LatticeCandidate>
935- <CrystalSystem> Rhombohedral </CrystalSystem>
936- <LatticeParameters> 3.6782e+000 3.6782e+000 7.0259e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
937- </LatticeCandidate>
938- <LatticeCandidate>
939- <CrystalSystem> Monoclinic(B) </CrystalSystem>
940- <LatticeParameters> 6.0282e+000 3.8623e+000 2.5946e+000 9.0000e+001 1.1549e+002 9.0000e+001 </LatticeParameters>
941- </LatticeCandidate>
942- <LatticeCandidate>
943- <CrystalSystem> Monoclinic(B) </CrystalSystem>
944- <LatticeParameters> 6.6727e+000 2.5946e+000 3.8623e+000 9.0000e+001 1.2537e+002 9.0000e+001 </LatticeParameters>
945- </LatticeCandidate>
946- <LatticeCandidate>
947- <CrystalSystem> Monoclinic(B) </CrystalSystem>
948- <LatticeParameters> 4.6529e+000 5.4413e+000 2.5946e+000 9.0000e+001 1.2389e+002 9.0000e+001 </LatticeParameters>
949- </LatticeCandidate>
950- <LatticeCandidate>
951- <CrystalSystem> Triclinic </CrystalSystem>
952- <LatticeParameters> 2.5946e+000 3.5797e+000 3.5797e+000 6.5296e+001 6.8752e+001 6.8752e+001 </LatticeParameters>
953- </LatticeCandidate>
954- </EquivalentLatticeCandidates>
955-
956- </LatticeCandidate>
957-
958- <LatticeCandidate number="060199">
959- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
960-
961- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
962- <ReducedLatticeParameters> 3.8427e+000 3.8428e+000 5.4350e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
963- <OptimizedLatticeParameters> 3.8427e+000 3.8428e+000 5.4350e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
964-
965- <VolumeOfUnitCell> 8.0258e+001 </VolumeOfUnitCell>
966- <FigureOfMeritWolff name="M20"> 4.1068e+000 </FigureOfMeritWolff>
967- <FigureOfMeritWu name="Mwu20"> 1.0828e+001 </FigureOfMeritWu>
968- <ReversedFigureOfMeritWolff name="Mrev20"> 6.5211e+000 </ReversedFigureOfMeritWolff>
969- <SymmetricFigureOfMeritWolff name="Msym20"> 2.6781e+001 </SymmetricFigureOfMeritWolff>
970- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
971- <NumberOfMillerIndicesInRange> 1.0975e+002 </NumberOfMillerIndicesInRange>
972- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
973- <NumberOfPeaksNecessaryToResolveDominantZone> 3 </NumberOfPeaksNecessaryToResolveDominantZone>
974-
975- <NumberOfLatticesInNeighborhood> 186 </NumberOfLatticesInNeighborhood>
976-
977- <EquivalentLatticeCandidates>
978- <LatticeCandidate>
979- <CrystalSystem> Rhombohedral </CrystalSystem>
980- <LatticeParameters> 3.8425e+000 3.8425e+000 9.4140e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
981- </LatticeCandidate>
982- <LatticeCandidate>
983- <CrystalSystem> Rhombohedral </CrystalSystem>
984- <LatticeParameters> 3.8441e+000 3.8441e+000 9.4155e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
985- </LatticeCandidate>
986- <LatticeCandidate>
987- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
988- <LatticeParameters> 5.4318e+000 5.4318e+000 5.4432e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
989- </LatticeCandidate>
990- <LatticeCandidate>
991- <CrystalSystem> Monoclinic(B) </CrystalSystem>
992- <LatticeParameters> 6.6616e+000 3.8414e+000 3.8404e+000 9.0000e+001 1.2520e+002 9.0000e+001 </LatticeParameters>
993- </LatticeCandidate>
994- <LatticeCandidate>
995- <CrystalSystem> Monoclinic(B) </CrystalSystem>
996- <LatticeParameters> 6.6621e+000 3.8404e+000 3.8414e+000 9.0000e+001 1.2521e+002 9.0000e+001 </LatticeParameters>
997- </LatticeCandidate>
998- <LatticeCandidate>
999- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1000- <LatticeParameters> 5.4318e+000 5.4318e+000 3.8449e+000 9.0000e+001 1.3494e+002 9.0000e+001 </LatticeParameters>
1001- </LatticeCandidate>
1002- <LatticeCandidate>
1003- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1004- <LatticeParameters> 6.6544e+000 3.8449e+000 3.8449e+000 9.0000e+001 1.2529e+002 9.0000e+001 </LatticeParameters>
1005- </LatticeCandidate>
1006- <LatticeCandidate>
1007- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1008- <LatticeParameters> 5.4318e+000 5.4432e+000 3.8404e+000 9.0000e+001 1.3499e+002 9.0000e+001 </LatticeParameters>
1009- </LatticeCandidate>
1010- <LatticeCandidate>
1011- <CrystalSystem> Triclinic </CrystalSystem>
1012- <LatticeParameters> 3.8404e+000 3.8414e+000 3.8449e+000 1.1997e+002 1.1996e+002 9.0000e+001 </LatticeParameters>
1013- </LatticeCandidate>
1014- </EquivalentLatticeCandidates>
1015-
1016- </LatticeCandidate>
1017-
1018- <LatticeCandidate number="060633">
1019- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1020-
1021- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1022- <ReducedLatticeParameters> 2.0537e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1023- <OptimizedLatticeParameters> 2.0537e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1024-
1025- <VolumeOfUnitCell> 4.2891e+001 </VolumeOfUnitCell>
1026- <FigureOfMeritWolff name="M20"> 4.0510e+000 </FigureOfMeritWolff>
1027- <FigureOfMeritWu name="Mwu20"> 4.5040e+000 </FigureOfMeritWu>
1028- <ReversedFigureOfMeritWolff name="Mrev20"> 3.2721e+000 </ReversedFigureOfMeritWolff>
1029- <SymmetricFigureOfMeritWolff name="Msym20"> 1.3255e+001 </SymmetricFigureOfMeritWolff>
1030- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1031- <NumberOfMillerIndicesInRange> 6.8000e+001 </NumberOfMillerIndicesInRange>
1032- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
1033- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1034-
1035- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
1036-
1037- <EquivalentLatticeCandidates>
1038- <LatticeCandidate>
1039- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1040- <LatticeParameters> 5.7918e+000 3.8430e+000 1.9953e+000 9.0000e+001 1.1015e+002 9.0000e+001 </LatticeParameters>
1041- </LatticeCandidate>
1042- <LatticeCandidate>
1043- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1044- <LatticeParameters> 6.6582e+000 1.9953e+000 3.8430e+000 9.0000e+001 1.2525e+002 9.0000e+001 </LatticeParameters>
1045- </LatticeCandidate>
1046- <LatticeCandidate>
1047- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1048- <LatticeParameters> 4.3301e+000 5.4372e+000 1.9953e+000 9.0000e+001 1.1744e+002 9.0000e+001 </LatticeParameters>
1049- </LatticeCandidate>
1050- <LatticeCandidate>
1051- <CrystalSystem> Triclinic </CrystalSystem>
1052- <LatticeParameters> 1.9953e+000 3.4754e+000 3.4754e+000 1.0293e+002 1.0668e+002 1.0668e+002 </LatticeParameters>
1053- </LatticeCandidate>
1054- </EquivalentLatticeCandidates>
1055-
1056- </LatticeCandidate>
1057-
1058- <LatticeCandidate number="060565">
1059- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1060-
1061- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1062- <ReducedLatticeParameters> 2.4304e+000 3.8427e+000 5.4348e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1063- <OptimizedLatticeParameters> 2.4304e+000 3.8427e+000 5.4348e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1064-
1065- <VolumeOfUnitCell> 5.0757e+001 </VolumeOfUnitCell>
1066- <FigureOfMeritWolff name="M20"> 3.8238e+000 </FigureOfMeritWolff>
1067- <FigureOfMeritWu name="Mwu20"> 4.5293e+000 </FigureOfMeritWu>
1068- <ReversedFigureOfMeritWolff name="Mrev20"> 2.2793e+000 </ReversedFigureOfMeritWolff>
1069- <SymmetricFigureOfMeritWolff name="Msym20"> 8.7156e+000 </SymmetricFigureOfMeritWolff>
1070- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1071- <NumberOfMillerIndicesInRange> 7.6000e+001 </NumberOfMillerIndicesInRange>
1072- <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks>
1073- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
1074-
1075- <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood>
1076-
1077- <EquivalentLatticeCandidates>
1078- <LatticeCandidate>
1079- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1080- <LatticeParameters> 5.9517e+000 3.8406e+000 2.4255e+000 9.0000e+001 1.1405e+002 9.0000e+001 </LatticeParameters>
1081- </LatticeCandidate>
1082- <LatticeCandidate>
1083- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1084- <LatticeParameters> 6.6551e+000 2.4255e+000 3.8406e+000 9.0000e+001 1.2525e+002 9.0000e+001 </LatticeParameters>
1085- </LatticeCandidate>
1086- <LatticeCandidate>
1087- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1088- <LatticeParameters> 4.5424e+000 5.4350e+000 2.4255e+000 9.0000e+001 1.2227e+002 9.0000e+001 </LatticeParameters>
1089- </LatticeCandidate>
1090- <LatticeCandidate>
1091- <CrystalSystem> Triclinic </CrystalSystem>
1092- <LatticeParameters> 2.4255e+000 3.5416e+000 3.5416e+000 1.0022e+002 1.1002e+002 1.1002e+002 </LatticeParameters>
1093- </LatticeCandidate>
1094- </EquivalentLatticeCandidates>
1095-
1096- </LatticeCandidate>
1097-
1098-
1099-
1100- <!-- Candidates for Orthorhombic(C) -->
1101-
1102- <LatticeCandidate number="050725">
1103- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1104-
1105- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1106- <ReducedLatticeParameters> 3.8427e+000 5.4348e+000 2.2185e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1107- <OptimizedLatticeParameters> 3.8427e+000 5.4348e+000 2.2185e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1108-
1109- <VolumeOfUnitCell> 4.6333e+001 </VolumeOfUnitCell>
1110- <FigureOfMeritWolff name="M20"> 2.0374e+001 </FigureOfMeritWolff>
1111- <FigureOfMeritWu name="Mwu20"> 1.8293e+001 </FigureOfMeritWu>
1112- <ReversedFigureOfMeritWolff name="Mrev20"> 2.5542e+000 </ReversedFigureOfMeritWolff>
1113- <SymmetricFigureOfMeritWolff name="Msym20"> 5.2037e+001 </SymmetricFigureOfMeritWolff>
1114- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1115- <NumberOfMillerIndicesInRange> 7.1750e+001 </NumberOfMillerIndicesInRange>
1116- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1117- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1118-
1119- <NumberOfLatticesInNeighborhood> 28 </NumberOfLatticesInNeighborhood>
1120-
1121- <EquivalentLatticeCandidates>
1122- <LatticeCandidate>
1123- <CrystalSystem> Triclinic </CrystalSystem>
1124- <LatticeParameters> 2.2071e+000 3.3265e+000 3.3265e+000 1.0958e+002 9.0000e+001 9.0000e+001 </LatticeParameters>
1125- </LatticeCandidate>
1126- </EquivalentLatticeCandidates>
1127-
1128- </LatticeCandidate>
1129-
1130- <LatticeCandidate number="050128">
1131- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1132-
1133- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1134- <ReducedLatticeParameters> 3.8427e+000 5.4348e+000 3.8431e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1135- <OptimizedLatticeParameters> 3.8427e+000 5.4348e+000 3.8431e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1136-
1137- <VolumeOfUnitCell> 8.0260e+001 </VolumeOfUnitCell>
1138- <FigureOfMeritWolff name="M20"> 1.3669e+001 </FigureOfMeritWolff>
1139- <FigureOfMeritWu name="Mwu20"> 1.6419e+001 </FigureOfMeritWu>
1140- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0311e+000 </ReversedFigureOfMeritWolff>
1141- <SymmetricFigureOfMeritWolff name="Msym20"> 2.7764e+001 </SymmetricFigureOfMeritWolff>
1142- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1143- <NumberOfMillerIndicesInRange> 1.1175e+002 </NumberOfMillerIndicesInRange>
1144- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1145- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
1146-
1147- <NumberOfLatticesInNeighborhood> 11 </NumberOfLatticesInNeighborhood>
1148-
1149- <EquivalentLatticeCandidates>
1150- <LatticeCandidate>
1151- <CrystalSystem> Triclinic </CrystalSystem>
1152- <LatticeParameters> 3.3259e+000 3.3259e+000 3.8810e+000 9.0000e+001 9.0000e+001 1.0955e+002 </LatticeParameters>
1153- </LatticeCandidate>
1154- </EquivalentLatticeCandidates>
1155-
1156- </LatticeCandidate>
1157-
1158- <LatticeCandidate number="050496">
1159- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1160-
1161- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1162- <ReducedLatticeParameters> 3.8453e+000 5.4346e+000 3.0102e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1163- <OptimizedLatticeParameters> 3.8453e+000 5.4346e+000 3.0102e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1164-
1165- <VolumeOfUnitCell> 6.2905e+001 </VolumeOfUnitCell>
1166- <FigureOfMeritWolff name="M20"> 1.1351e+001 </FigureOfMeritWolff>
1167- <FigureOfMeritWu name="Mwu20"> 9.6206e+000 </FigureOfMeritWu>
1168- <ReversedFigureOfMeritWolff name="Mrev20"> 2.2668e+000 </ReversedFigureOfMeritWolff>
1169- <SymmetricFigureOfMeritWolff name="Msym20"> 2.5729e+001 </SymmetricFigureOfMeritWolff>
1170- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1171- <NumberOfMillerIndicesInRange> 9.1500e+001 </NumberOfMillerIndicesInRange>
1172- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1173- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
1174-
1175- <NumberOfLatticesInNeighborhood> 219 </NumberOfLatticesInNeighborhood>
1176-
1177- <EquivalentLatticeCandidates>
1178- <LatticeCandidate>
1179- <CrystalSystem> Rhombohedral </CrystalSystem>
1180- <LatticeParameters> 4.3017e+000 4.3017e+000 4.3146e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1181- </LatticeCandidate>
1182- <LatticeCandidate>
1183- <CrystalSystem> Rhombohedral </CrystalSystem>
1184- <LatticeParameters> 4.3017e+000 4.3017e+000 3.3262e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1185- </LatticeCandidate>
1186- <LatticeCandidate>
1187- <CrystalSystem> Rhombohedral </CrystalSystem>
1188- <LatticeParameters> 4.4781e+000 4.4781e+000 4.8453e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1189- </LatticeCandidate>
1190- <LatticeCandidate>
1191- <CrystalSystem> Rhombohedral </CrystalSystem>
1192- <LatticeParameters> 3.6775e+000 3.6775e+000 8.1465e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1193- </LatticeCandidate>
1194- <LatticeCandidate>
1195- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1196- <LatticeParameters> 4.0355e+000 4.3412e+000 6.2549e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1197- </LatticeCandidate>
1198- <LatticeCandidate>
1199- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1200- <LatticeParameters> 4.3412e+000 4.3412e+000 5.4310e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1201- </LatticeCandidate>
1202- <LatticeCandidate>
1203- <CrystalSystem> Triclinic </CrystalSystem>
1204- <LatticeParameters> 3.0151e+000 3.3215e+000 3.3215e+000 1.0968e+002 9.0000e+001 9.0000e+001 </LatticeParameters>
1205- </LatticeCandidate>
1206- </EquivalentLatticeCandidates>
1207-
1208- </LatticeCandidate>
1209-
1210- <LatticeCandidate number="050793">
1211- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1212-
1213- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1214- <ReducedLatticeParameters> 3.8427e+000 5.4348e+000 1.9215e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1215- <OptimizedLatticeParameters> 3.8427e+000 5.4348e+000 1.9215e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1216-
1217- <VolumeOfUnitCell> 4.0128e+001 </VolumeOfUnitCell>
1218- <FigureOfMeritWolff name="M20"> 7.4861e+000 </FigureOfMeritWolff>
1219- <FigureOfMeritWu name="Mwu20"> 1.0764e+001 </FigureOfMeritWu>
1220- <ReversedFigureOfMeritWolff name="Mrev20"> 7.0942e+000 </ReversedFigureOfMeritWolff>
1221- <SymmetricFigureOfMeritWolff name="Msym20"> 5.3108e+001 </SymmetricFigureOfMeritWolff>
1222- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1223- <NumberOfMillerIndicesInRange> 5.9750e+001 </NumberOfMillerIndicesInRange>
1224- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1225- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1226-
1227- <NumberOfLatticesInNeighborhood> 10 </NumberOfLatticesInNeighborhood>
1228-
1229- <EquivalentLatticeCandidates>
1230- <LatticeCandidate>
1231- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1232- <LatticeParameters> 1.8812e+000 3.2763e+000 6.2664e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1233- </LatticeCandidate>
1234- <LatticeCandidate>
1235- <CrystalSystem> Triclinic </CrystalSystem>
1236- <LatticeParameters> 1.9722e+000 3.3259e+000 3.3259e+000 1.0960e+002 9.0000e+001 9.0000e+001 </LatticeParameters>
1237- </LatticeCandidate>
1238- </EquivalentLatticeCandidates>
1239-
1240- </LatticeCandidate>
1241-
1242- <LatticeCandidate number="050179">
1243- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1244-
1245- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1246- <ReducedLatticeParameters> 3.8474e+000 5.4300e+000 3.3212e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1247- <OptimizedLatticeParameters> 3.8474e+000 5.4300e+000 3.3212e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1248-
1249- <VolumeOfUnitCell> 6.9385e+001 </VolumeOfUnitCell>
1250- <FigureOfMeritWolff name="M20"> 6.0033e+000 </FigureOfMeritWolff>
1251- <FigureOfMeritWu name="Mwu20"> 7.4691e+000 </FigureOfMeritWu>
1252- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0403e+000 </ReversedFigureOfMeritWolff>
1253- <SymmetricFigureOfMeritWolff name="Msym20"> 1.2248e+001 </SymmetricFigureOfMeritWolff>
1254- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1255- <NumberOfMillerIndicesInRange> 1.0350e+002 </NumberOfMillerIndicesInRange>
1256- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1257- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
1258-
1259- <NumberOfLatticesInNeighborhood> 54 </NumberOfLatticesInNeighborhood>
1260-
1261- <EquivalentLatticeCandidates>
1262- <LatticeCandidate>
1263- <CrystalSystem> Rhombohedral </CrystalSystem>
1264- <LatticeParameters> 4.1989e+000 4.1989e+000 6.8640e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1265- </LatticeCandidate>
1266- <LatticeCandidate>
1267- <CrystalSystem> Rhombohedral </CrystalSystem>
1268- <LatticeParameters> 4.6913e+000 4.6913e+000 3.5002e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1269- </LatticeCandidate>
1270- <LatticeCandidate>
1271- <CrystalSystem> Rhombohedral </CrystalSystem>
1272- <LatticeParameters> 4.6913e+000 4.6913e+000 5.0290e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1273- </LatticeCandidate>
1274- <LatticeCandidate>
1275- <CrystalSystem> Rhombohedral </CrystalSystem>
1276- <LatticeParameters> 4.4789e+000 4.4789e+000 3.5002e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1277- </LatticeCandidate>
1278- <LatticeCandidate>
1279- <CrystalSystem> Rhombohedral </CrystalSystem>
1280- <LatticeParameters> 4.4789e+000 4.4789e+000 4.4148e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1281- </LatticeCandidate>
1282- <LatticeCandidate>
1283- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1284- <LatticeParameters> 4.2040e+000 4.5760e+000 6.3224e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1285- </LatticeCandidate>
1286- <LatticeCandidate>
1287- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1288- <LatticeParameters> 3.3527e+000 4.2040e+000 4.2040e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1289- </LatticeCandidate>
1290- <LatticeCandidate>
1291- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1292- <LatticeParameters> 2.9432e+000 4.5760e+000 4.5760e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1293- </LatticeCandidate>
1294- <LatticeCandidate>
1295- <CrystalSystem> Triclinic </CrystalSystem>
1296- <LatticeParameters> 3.3158e+000 3.3410e+000 3.3410e+000 1.0888e+002 9.0000e+001 9.0000e+001 </LatticeParameters>
1297- </LatticeCandidate>
1298- </EquivalentLatticeCandidates>
1299-
1300- </LatticeCandidate>
1301-
1302- <LatticeCandidate number="050622">
1303- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1304-
1305- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1306- <ReducedLatticeParameters> 3.8448e+000 5.4349e+000 2.6864e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1307- <OptimizedLatticeParameters> 3.8448e+000 5.4349e+000 2.6864e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1308-
1309- <VolumeOfUnitCell> 5.6135e+001 </VolumeOfUnitCell>
1310- <FigureOfMeritWolff name="M20"> 5.6450e+000 </FigureOfMeritWolff>
1311- <FigureOfMeritWu name="Mwu20"> 6.0964e+000 </FigureOfMeritWu>
1312- <ReversedFigureOfMeritWolff name="Mrev20"> 2.7481e+000 </ReversedFigureOfMeritWolff>
1313- <SymmetricFigureOfMeritWolff name="Msym20"> 1.5513e+001 </SymmetricFigureOfMeritWolff>
1314- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1315- <NumberOfMillerIndicesInRange> 8.4500e+001 </NumberOfMillerIndicesInRange>
1316- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1317- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1318-
1319- <NumberOfLatticesInNeighborhood> 58 </NumberOfLatticesInNeighborhood>
1320-
1321- <EquivalentLatticeCandidates>
1322- <LatticeCandidate>
1323- <CrystalSystem> Triclinic </CrystalSystem>
1324- <LatticeParameters> 2.6853e+000 3.3249e+000 3.3249e+000 1.0954e+002 9.0000e+001 9.0000e+001 </LatticeParameters>
1325- </LatticeCandidate>
1326- </EquivalentLatticeCandidates>
1327-
1328- </LatticeCandidate>
1329-
1330- <LatticeCandidate number="050356">
1331- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1332-
1333- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1334- <ReducedLatticeParameters> 3.8435e+000 6.2388e+000 2.7170e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1335- <OptimizedLatticeParameters> 3.8435e+000 6.2388e+000 2.7170e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1336-
1337- <VolumeOfUnitCell> 6.5150e+001 </VolumeOfUnitCell>
1338- <FigureOfMeritWolff name="M20"> 4.0626e+000 </FigureOfMeritWolff>
1339- <FigureOfMeritWu name="Mwu20"> 4.2770e+000 </FigureOfMeritWu>
1340- <ReversedFigureOfMeritWolff name="Mrev20"> 2.4298e+000 </ReversedFigureOfMeritWolff>
1341- <SymmetricFigureOfMeritWolff name="Msym20"> 9.8714e+000 </SymmetricFigureOfMeritWolff>
1342- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1343- <NumberOfMillerIndicesInRange> 9.5500e+001 </NumberOfMillerIndicesInRange>
1344- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1345- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
1346-
1347- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
1348-
1349- <EquivalentLatticeCandidates>
1350- <LatticeCandidate>
1351- <CrystalSystem> Rhombohedral </CrystalSystem>
1352- <LatticeParameters> 3.4406e+000 3.4406e+000 9.8188e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1353- </LatticeCandidate>
1354- <LatticeCandidate>
1355- <CrystalSystem> Rhombohedral </CrystalSystem>
1356- <LatticeParameters> 4.3340e+000 4.3340e+000 3.2674e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1357- </LatticeCandidate>
1358- <LatticeCandidate>
1359- <CrystalSystem> Rhombohedral </CrystalSystem>
1360- <LatticeParameters> 4.3340e+000 4.3340e+000 4.5503e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1361- </LatticeCandidate>
1362- <LatticeCandidate>
1363- <CrystalSystem> Rhombohedral </CrystalSystem>
1364- <LatticeParameters> 4.5735e+000 4.5735e+000 3.3184e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1365- </LatticeCandidate>
1366- <LatticeCandidate>
1367- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1368- <LatticeParameters> 4.0934e+000 4.1750e+000 6.5459e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1369- </LatticeCandidate>
1370- <LatticeCandidate>
1371- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1372- <LatticeParameters> 4.1750e+000 4.1750e+000 6.2441e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1373- </LatticeCandidate>
1374- <LatticeCandidate>
1375- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1376- <LatticeParameters> 2.5042e+000 3.6604e+000 6.5459e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1377- </LatticeCandidate>
1378- <LatticeCandidate>
1379- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1380- <LatticeParameters> 3.0336e+000 4.1750e+000 4.1750e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1381- </LatticeCandidate>
1382- <LatticeCandidate>
1383- <CrystalSystem> Triclinic </CrystalSystem>
1384- <LatticeParameters> 2.7104e+000 3.6660e+000 3.6660e+000 1.1678e+002 9.0000e+001 9.0000e+001 </LatticeParameters>
1385- </LatticeCandidate>
1386- </EquivalentLatticeCandidates>
1387-
1388- </LatticeCandidate>
1389-
1390- <LatticeCandidate number="050722">
1391- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1392-
1393- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1394- <ReducedLatticeParameters> 3.8413e+000 3.8751e+000 3.1341e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1395- <OptimizedLatticeParameters> 3.8413e+000 3.8751e+000 3.1341e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1396-
1397- <VolumeOfUnitCell> 4.6652e+001 </VolumeOfUnitCell>
1398- <FigureOfMeritWolff name="M20"> 4.0522e+000 </FigureOfMeritWolff>
1399- <FigureOfMeritWu name="Mwu20"> 4.4519e+000 </FigureOfMeritWu>
1400- <ReversedFigureOfMeritWolff name="Mrev20"> 3.2100e+000 </ReversedFigureOfMeritWolff>
1401- <SymmetricFigureOfMeritWolff name="Msym20"> 1.3007e+001 </SymmetricFigureOfMeritWolff>
1402- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1403- <NumberOfMillerIndicesInRange> 6.9500e+001 </NumberOfMillerIndicesInRange>
1404- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
1405- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1406-
1407- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
1408-
1409- <EquivalentLatticeCandidates>
1410- <LatticeCandidate>
1411- <CrystalSystem> Triclinic </CrystalSystem>
1412- <LatticeParameters> 2.7310e+000 2.7310e+000 3.1267e+000 9.0000e+001 9.0000e+001 9.0563e+001 </LatticeParameters>
1413- </LatticeCandidate>
1414- </EquivalentLatticeCandidates>
1415-
1416- </LatticeCandidate>
1417-
1418- <LatticeCandidate number="050678">
1419- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1420-
1421- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1422- <ReducedLatticeParameters> 3.8418e+000 5.4355e+000 2.4920e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1423- <OptimizedLatticeParameters> 3.8418e+000 5.4355e+000 2.4920e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1424-
1425- <VolumeOfUnitCell> 5.2037e+001 </VolumeOfUnitCell>
1426- <FigureOfMeritWolff name="M20"> 3.7806e+000 </FigureOfMeritWolff>
1427- <FigureOfMeritWu name="Mwu20"> 3.7163e+000 </FigureOfMeritWu>
1428- <ReversedFigureOfMeritWolff name="Mrev20"> 2.3219e+000 </ReversedFigureOfMeritWolff>
1429- <SymmetricFigureOfMeritWolff name="Msym20"> 8.7781e+000 </SymmetricFigureOfMeritWolff>
1430- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1431- <NumberOfMillerIndicesInRange> 7.8000e+001 </NumberOfMillerIndicesInRange>
1432- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1433- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1434-
1435- <NumberOfLatticesInNeighborhood> 33 </NumberOfLatticesInNeighborhood>
1436-
1437- <EquivalentLatticeCandidates>
1438- <LatticeCandidate>
1439- <CrystalSystem> Triclinic </CrystalSystem>
1440- <LatticeParameters> 2.4652e+000 3.3291e+000 3.3291e+000 1.0950e+002 9.0000e+001 9.0000e+001 </LatticeParameters>
1441- </LatticeCandidate>
1442- </EquivalentLatticeCandidates>
1443-
1444- </LatticeCandidate>
1445-
1446- <LatticeCandidate number="050688">
1447- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1448-
1449- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1450- <ReducedLatticeParameters> 4.1762e+000 6.2688e+000 1.9229e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1451- <OptimizedLatticeParameters> 4.1762e+000 6.2688e+000 1.9229e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1452-
1453- <VolumeOfUnitCell> 5.0342e+001 </VolumeOfUnitCell>
1454- <FigureOfMeritWolff name="M20"> 3.6445e+000 </FigureOfMeritWolff>
1455- <FigureOfMeritWu name="Mwu20"> 3.1510e+000 </FigureOfMeritWu>
1456- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0548e+000 </ReversedFigureOfMeritWolff>
1457- <SymmetricFigureOfMeritWolff name="Msym20"> 7.4888e+000 </SymmetricFigureOfMeritWolff>
1458- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1459- <NumberOfMillerIndicesInRange> 7.6250e+001 </NumberOfMillerIndicesInRange>
1460- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1461- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1462-
1463- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
1464-
1465- <EquivalentLatticeCandidates>
1466- <LatticeCandidate>
1467- <CrystalSystem> Rhombohedral </CrystalSystem>
1468- <LatticeParameters> 6.8218e+000 6.8218e+000 1.8310e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1469- </LatticeCandidate>
1470- <LatticeCandidate>
1471- <CrystalSystem> Rhombohedral </CrystalSystem>
1472- <LatticeParameters> 6.8218e+000 6.8218e+000 1.8514e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1473- </LatticeCandidate>
1474- <LatticeCandidate>
1475- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1476- <LatticeParameters> 1.8666e+000 3.7316e+000 6.9553e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1477- </LatticeCandidate>
1478- <LatticeCandidate>
1479- <CrystalSystem> Triclinic </CrystalSystem>
1480- <LatticeParameters> 1.9377e+000 3.7622e+000 3.7622e+000 1.1243e+002 9.0000e+001 9.0000e+001 </LatticeParameters>
1481- </LatticeCandidate>
1482- </EquivalentLatticeCandidates>
1483-
1484- </LatticeCandidate>
1485-
1486- <LatticeCandidate number="050671">
1487- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1488-
1489- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1490- <ReducedLatticeParameters> 3.8455e+000 4.3751e+000 3.1375e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1491- <OptimizedLatticeParameters> 3.8455e+000 4.3751e+000 3.1375e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1492-
1493- <VolumeOfUnitCell> 5.2787e+001 </VolumeOfUnitCell>
1494- <FigureOfMeritWolff name="M20"> 3.4001e+000 </FigureOfMeritWolff>
1495- <FigureOfMeritWu name="Mwu20"> 2.9701e+000 </FigureOfMeritWu>
1496- <ReversedFigureOfMeritWolff name="Mrev20"> 2.6522e+000 </ReversedFigureOfMeritWolff>
1497- <SymmetricFigureOfMeritWolff name="Msym20"> 9.0177e+000 </SymmetricFigureOfMeritWolff>
1498- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1499- <NumberOfMillerIndicesInRange> 7.8000e+001 </NumberOfMillerIndicesInRange>
1500- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1501- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1502-
1503- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
1504-
1505- <EquivalentLatticeCandidates>
1506- <LatticeCandidate>
1507- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1508- <LatticeParameters> 2.4973e+000 5.7749e+000 6.2476e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1509- </LatticeCandidate>
1510- <LatticeCandidate>
1511- <CrystalSystem> Triclinic </CrystalSystem>
1512- <LatticeParameters> 2.9109e+000 2.9109e+000 3.1238e+000 9.0000e+001 9.0000e+001 9.7280e+001 </LatticeParameters>
1513- </LatticeCandidate>
1514- </EquivalentLatticeCandidates>
1515-
1516- </LatticeCandidate>
1517-
1518- <LatticeCandidate number="050825">
1519- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1520-
1521- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1522- <ReducedLatticeParameters> 3.8410e+000 5.4357e+000 1.8065e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1523- <OptimizedLatticeParameters> 3.8410e+000 5.4357e+000 1.8065e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1524-
1525- <VolumeOfUnitCell> 3.7718e+001 </VolumeOfUnitCell>
1526- <FigureOfMeritWolff name="M20"> 3.2357e+000 </FigureOfMeritWolff>
1527- <FigureOfMeritWu name="Mwu20"> 2.9829e+000 </FigureOfMeritWu>
1528- <ReversedFigureOfMeritWolff name="Mrev20"> 2.3893e+000 </ReversedFigureOfMeritWolff>
1529- <SymmetricFigureOfMeritWolff name="Msym20"> 7.7311e+000 </SymmetricFigureOfMeritWolff>
1530- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1531- <NumberOfMillerIndicesInRange> 5.9000e+001 </NumberOfMillerIndicesInRange>
1532- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
1533- <NumberOfPeaksNecessaryToResolveDominantZone> 6 </NumberOfPeaksNecessaryToResolveDominantZone>
1534-
1535- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
1536-
1537- <EquivalentLatticeCandidates>
1538- <LatticeCandidate>
1539- <CrystalSystem> Triclinic </CrystalSystem>
1540- <LatticeParameters> 1.8086e+000 3.3239e+000 3.3239e+000 1.0958e+002 9.0000e+001 9.0000e+001 </LatticeParameters>
1541- </LatticeCandidate>
1542- </EquivalentLatticeCandidates>
1543-
1544- </LatticeCandidate>
1545-
1546- <LatticeCandidate number="050559">
1547- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1548-
1549- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1550- <ReducedLatticeParameters> 3.4371e+000 7.6856e+000 2.2189e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1551- <OptimizedLatticeParameters> 3.4371e+000 7.6856e+000 2.2189e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1552-
1553- <VolumeOfUnitCell> 5.8614e+001 </VolumeOfUnitCell>
1554- <FigureOfMeritWolff name="M20"> 3.1918e+000 </FigureOfMeritWolff>
1555- <FigureOfMeritWu name="Mwu20"> 3.0740e+000 </FigureOfMeritWu>
1556- <ReversedFigureOfMeritWolff name="Mrev20"> 2.3024e+000 </ReversedFigureOfMeritWolff>
1557- <SymmetricFigureOfMeritWolff name="Msym20"> 7.3486e+000 </SymmetricFigureOfMeritWolff>
1558- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1559- <NumberOfMillerIndicesInRange> 9.1000e+001 </NumberOfMillerIndicesInRange>
1560- <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks>
1561- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1562-
1563- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
1564-
1565- <EquivalentLatticeCandidates>
1566- <LatticeCandidate>
1567- <CrystalSystem> Triclinic </CrystalSystem>
1568- <LatticeParameters> 2.2102e+000 3.4374e+000 4.2007e+000 1.1415e+002 9.0000e+001 9.0000e+001 </LatticeParameters>
1569- </LatticeCandidate>
1570- </EquivalentLatticeCandidates>
1571-
1572- </LatticeCandidate>
1573-
1574- <LatticeCandidate number="050872">
1575- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
1576-
1577- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1578- <ReducedLatticeParameters> 3.0128e+000 3.2758e+000 3.1369e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
1579- <OptimizedLatticeParameters> 3.0128e+000 3.2758e+000 3.1369e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
1580-
1581- <VolumeOfUnitCell> 3.0959e+001 </VolumeOfUnitCell>
1582- <FigureOfMeritWolff name="M20"> 3.0118e+000 </FigureOfMeritWolff>
1583- <FigureOfMeritWu name="Mwu20"> 2.4147e+000 </FigureOfMeritWu>
1584- <ReversedFigureOfMeritWolff name="Mrev20"> 2.3799e+000 </ReversedFigureOfMeritWolff>
1585- <SymmetricFigureOfMeritWolff name="Msym20"> 7.1678e+000 </SymmetricFigureOfMeritWolff>
1586- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1587- <NumberOfMillerIndicesInRange> 4.9000e+001 </NumberOfMillerIndicesInRange>
1588- <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks>
1589- <NumberOfPeaksNecessaryToResolveDominantZone> 6 </NumberOfPeaksNecessaryToResolveDominantZone>
1590-
1591- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
1592-
1593- <EquivalentLatticeCandidates>
1594- <LatticeCandidate>
1595- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1596- <LatticeParameters> 1.9510e+000 4.4353e+000 6.2615e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1597- </LatticeCandidate>
1598- <LatticeCandidate>
1599- <CrystalSystem> Triclinic </CrystalSystem>
1600- <LatticeParameters> 2.2254e+000 2.2254e+000 3.1307e+000 9.0000e+001 9.0000e+001 9.4782e+001 </LatticeParameters>
1601- </LatticeCandidate>
1602- </EquivalentLatticeCandidates>
1603-
1604- </LatticeCandidate>
1605-
1606-
1607-
1608- <!-- Candidates for Orthorhombic(P) -->
1609-
1610-
1611-
1612- <!-- Candidates for Monoclinic(B) -->
1613-
1614- <LatticeCandidate number="0306013">
1615- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1616-
1617- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1618- <ReducedLatticeParameters> 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 </ReducedLatticeParameters>
1619- <OptimizedLatticeParameters> 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 </OptimizedLatticeParameters>
1620-
1621- <VolumeOfUnitCell> 4.5852e+001 </VolumeOfUnitCell>
1622- <FigureOfMeritWolff name="M20"> 1.0474e+002 </FigureOfMeritWolff>
1623- <FigureOfMeritWu name="Mwu20"> 1.0540e+002 </FigureOfMeritWu>
1624- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0447e+000 </ReversedFigureOfMeritWolff>
1625- <SymmetricFigureOfMeritWolff name="Msym20"> 2.1415e+002 </SymmetricFigureOfMeritWolff>
1626- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1627- <NumberOfMillerIndicesInRange> 1.0900e+002 </NumberOfMillerIndicesInRange>
1628- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1629- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1630-
1631- <NumberOfLatticesInNeighborhood> 130 </NumberOfLatticesInNeighborhood>
1632-
1633- <EquivalentLatticeCandidates>
1634- <LatticeCandidate>
1635- <CrystalSystem> Triclinic </CrystalSystem>
1636- <LatticeParameters> 2.1954e+000 3.3567e+000 3.3567e+000 1.0817e+002 9.7353e+001 9.7353e+001 </LatticeParameters>
1637- </LatticeCandidate>
1638- </EquivalentLatticeCandidates>
1639-
1640- </LatticeCandidate>
1641-
1642- <LatticeCandidate number="0305966">
1643- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1644-
1645- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1646- <ReducedLatticeParameters> 5.6014e+000 3.8435e+000 2.2087e+000 9.0000e+001 1.0402e+002 9.0000e+001 </ReducedLatticeParameters>
1647- <OptimizedLatticeParameters> 5.6014e+000 3.8435e+000 2.2087e+000 9.0000e+001 1.0402e+002 9.0000e+001 </OptimizedLatticeParameters>
1648-
1649- <VolumeOfUnitCell> 4.6134e+001 </VolumeOfUnitCell>
1650- <FigureOfMeritWolff name="M20"> 1.7012e+001 </FigureOfMeritWolff>
1651- <FigureOfMeritWu name="Mwu20"> 1.6003e+001 </FigureOfMeritWu>
1652- <ReversedFigureOfMeritWolff name="Mrev20"> 2.3239e+000 </ReversedFigureOfMeritWolff>
1653- <SymmetricFigureOfMeritWolff name="Msym20"> 3.9535e+001 </SymmetricFigureOfMeritWolff>
1654- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1655- <NumberOfMillerIndicesInRange> 1.0950e+002 </NumberOfMillerIndicesInRange>
1656- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1657- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1658-
1659- <NumberOfLatticesInNeighborhood> 11 </NumberOfLatticesInNeighborhood>
1660-
1661- <EquivalentLatticeCandidates>
1662- <LatticeCandidate>
1663- <CrystalSystem> Triclinic </CrystalSystem>
1664- <LatticeParameters> 2.2275e+000 3.4306e+000 3.4306e+000 6.8079e+001 7.5921e+001 7.5921e+001 </LatticeParameters>
1665- </LatticeCandidate>
1666- </EquivalentLatticeCandidates>
1667-
1668- </LatticeCandidate>
1669-
1670- <LatticeCandidate number="0306494">
1671- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1672-
1673- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1674- <ReducedLatticeParameters> 3.9257e+000 3.2773e+000 3.3991e+000 9.0000e+001 1.1264e+002 9.0000e+001 </ReducedLatticeParameters>
1675- <OptimizedLatticeParameters> 3.9257e+000 3.2773e+000 3.3991e+000 9.0000e+001 1.1264e+002 9.0000e+001 </OptimizedLatticeParameters>
1676-
1677- <VolumeOfUnitCell> 4.0363e+001 </VolumeOfUnitCell>
1678- <FigureOfMeritWolff name="M20"> 1.5052e+001 </FigureOfMeritWolff>
1679- <FigureOfMeritWu name="Mwu20"> 1.5935e+001 </FigureOfMeritWu>
1680- <ReversedFigureOfMeritWolff name="Mrev20"> 2.2133e+000 </ReversedFigureOfMeritWolff>
1681- <SymmetricFigureOfMeritWolff name="Msym20"> 3.3314e+001 </SymmetricFigureOfMeritWolff>
1682- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1683- <NumberOfMillerIndicesInRange> 9.8500e+001 </NumberOfMillerIndicesInRange>
1684- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1685- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1686-
1687- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
1688-
1689- <EquivalentLatticeCandidates>
1690- <LatticeCandidate>
1691- <CrystalSystem> Triclinic </CrystalSystem>
1692- <LatticeParameters> 2.5527e+000 2.5527e+000 3.3906e+000 7.2917e+001 7.2917e+001 7.9679e+001 </LatticeParameters>
1693- </LatticeCandidate>
1694- </EquivalentLatticeCandidates>
1695-
1696- </LatticeCandidate>
1697-
1698- <LatticeCandidate number="0305536">
1699- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1700-
1701- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1702- <ReducedLatticeParameters> 3.8995e+000 5.4347e+000 2.5080e+000 9.0000e+001 9.9780e+001 9.0000e+001 </ReducedLatticeParameters>
1703- <OptimizedLatticeParameters> 3.8995e+000 5.4347e+000 2.5080e+000 9.0000e+001 9.9780e+001 9.0000e+001 </OptimizedLatticeParameters>
1704-
1705- <VolumeOfUnitCell> 5.2379e+001 </VolumeOfUnitCell>
1706- <FigureOfMeritWolff name="M20"> 1.4914e+001 </FigureOfMeritWolff>
1707- <FigureOfMeritWu name="Mwu20"> 1.6140e+001 </FigureOfMeritWu>
1708- <ReversedFigureOfMeritWolff name="Mrev20"> 2.3352e+000 </ReversedFigureOfMeritWolff>
1709- <SymmetricFigureOfMeritWolff name="Msym20"> 3.4828e+001 </SymmetricFigureOfMeritWolff>
1710- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1711- <NumberOfMillerIndicesInRange> 1.2000e+002 </NumberOfMillerIndicesInRange>
1712- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1713- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1714-
1715- <NumberOfLatticesInNeighborhood> 19 </NumberOfLatticesInNeighborhood>
1716-
1717- <EquivalentLatticeCandidates>
1718- <LatticeCandidate>
1719- <CrystalSystem> Triclinic </CrystalSystem>
1720- <LatticeParameters> 2.4884e+000 3.3444e+000 3.3444e+000 1.0876e+002 9.5484e+001 9.5484e+001 </LatticeParameters>
1721- </LatticeCandidate>
1722- </EquivalentLatticeCandidates>
1723-
1724- </LatticeCandidate>
1725-
1726- <LatticeCandidate number="0306932">
1727- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1728-
1729- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1730- <ReducedLatticeParameters> 2.7180e+000 6.2766e+000 2.2841e+000 9.0000e+001 1.2278e+002 9.0000e+001 </ReducedLatticeParameters>
1731- <OptimizedLatticeParameters> 2.7180e+000 6.2766e+000 2.2841e+000 9.0000e+001 1.2278e+002 9.0000e+001 </OptimizedLatticeParameters>
1732-
1733- <VolumeOfUnitCell> 3.2761e+001 </VolumeOfUnitCell>
1734- <FigureOfMeritWolff name="M20"> 1.2509e+001 </FigureOfMeritWolff>
1735- <FigureOfMeritWu name="Mwu20"> 1.1191e+001 </FigureOfMeritWu>
1736- <ReversedFigureOfMeritWolff name="Mrev20"> 2.1860e+000 </ReversedFigureOfMeritWolff>
1737- <SymmetricFigureOfMeritWolff name="Msym20"> 2.7345e+001 </SymmetricFigureOfMeritWolff>
1738- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1739- <NumberOfMillerIndicesInRange> 7.7000e+001 </NumberOfMillerIndicesInRange>
1740- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1741- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1742-
1743- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
1744-
1745- <EquivalentLatticeCandidates>
1746- <LatticeCandidate>
1747- <CrystalSystem> Triclinic </CrystalSystem>
1748- <LatticeParameters> 2.2843e+000 2.4211e+000 3.4171e+000 1.0399e+002 1.0241e+002 1.0968e+002 </LatticeParameters>
1749- </LatticeCandidate>
1750- </EquivalentLatticeCandidates>
1751-
1752- </LatticeCandidate>
1753-
1754- <LatticeCandidate number="0305501">
1755- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1756-
1757- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1758- <ReducedLatticeParameters> 4.1492e+000 5.4345e+000 2.5021e+000 9.0000e+001 1.1215e+002 9.0000e+001 </ReducedLatticeParameters>
1759- <OptimizedLatticeParameters> 4.1492e+000 5.4345e+000 2.5021e+000 9.0000e+001 1.1215e+002 9.0000e+001 </OptimizedLatticeParameters>
1760-
1761- <VolumeOfUnitCell> 5.2254e+001 </VolumeOfUnitCell>
1762- <FigureOfMeritWolff name="M20"> 1.2346e+001 </FigureOfMeritWolff>
1763- <FigureOfMeritWu name="Mwu20"> 1.2301e+001 </FigureOfMeritWu>
1764- <ReversedFigureOfMeritWolff name="Mrev20"> 2.1265e+000 </ReversedFigureOfMeritWolff>
1765- <SymmetricFigureOfMeritWolff name="Msym20"> 2.6253e+001 </SymmetricFigureOfMeritWolff>
1766- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1767- <NumberOfMillerIndicesInRange> 1.2000e+002 </NumberOfMillerIndicesInRange>
1768- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1769- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1770-
1771- <NumberOfLatticesInNeighborhood> 51 </NumberOfLatticesInNeighborhood>
1772-
1773- <EquivalentLatticeCandidates>
1774- <LatticeCandidate>
1775- <CrystalSystem> Triclinic </CrystalSystem>
1776- <LatticeParameters> 2.5042e+000 3.4165e+000 3.4165e+000 1.0518e+002 1.0327e+002 1.0327e+002 </LatticeParameters>
1777- </LatticeCandidate>
1778- </EquivalentLatticeCandidates>
1779-
1780- </LatticeCandidate>
1781-
1782- <LatticeCandidate number="0306505">
1783- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1784-
1785- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1786- <ReducedLatticeParameters> 3.3284e+000 3.8356e+000 3.1857e+000 9.0000e+001 1.0004e+002 9.0000e+001 </ReducedLatticeParameters>
1787- <OptimizedLatticeParameters> 3.3284e+000 3.8356e+000 3.1857e+000 9.0000e+001 1.0004e+002 9.0000e+001 </OptimizedLatticeParameters>
1788-
1789- <VolumeOfUnitCell> 4.0047e+001 </VolumeOfUnitCell>
1790- <FigureOfMeritWolff name="M20"> 1.1046e+001 </FigureOfMeritWolff>
1791- <FigureOfMeritWu name="Mwu20"> 1.3965e+001 </FigureOfMeritWu>
1792- <ReversedFigureOfMeritWolff name="Mrev20"> 3.2318e+000 </ReversedFigureOfMeritWolff>
1793- <SymmetricFigureOfMeritWolff name="Msym20"> 3.5699e+001 </SymmetricFigureOfMeritWolff>
1794- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1795- <NumberOfMillerIndicesInRange> 9.3000e+001 </NumberOfMillerIndicesInRange>
1796- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1797- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1798-
1799- <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood>
1800-
1801- <EquivalentLatticeCandidates>
1802- <LatticeCandidate>
1803- <CrystalSystem> Triclinic </CrystalSystem>
1804- <LatticeParameters> 2.5315e+000 2.5315e+000 3.1865e+000 9.6565e+001 9.6565e+001 9.7814e+001 </LatticeParameters>
1805- </LatticeCandidate>
1806- </EquivalentLatticeCandidates>
1807-
1808- </LatticeCandidate>
1809-
1810- <LatticeCandidate number="0305986">
1811- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1812-
1813- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1814- <ReducedLatticeParameters> 4.4368e+000 5.4346e+000 2.2184e+000 9.0000e+001 1.1999e+002 9.0000e+001 </ReducedLatticeParameters>
1815- <OptimizedLatticeParameters> 4.4368e+000 5.4346e+000 2.2184e+000 9.0000e+001 1.1999e+002 9.0000e+001 </OptimizedLatticeParameters>
1816-
1817- <VolumeOfUnitCell> 4.6328e+001 </VolumeOfUnitCell>
1818- <FigureOfMeritWolff name="M20"> 1.0521e+001 </FigureOfMeritWolff>
1819- <FigureOfMeritWu name="Mwu20"> 2.1291e+001 </FigureOfMeritWu>
1820- <ReversedFigureOfMeritWolff name="Mrev20"> 3.9557e+000 </ReversedFigureOfMeritWolff>
1821- <SymmetricFigureOfMeritWolff name="Msym20"> 4.1619e+001 </SymmetricFigureOfMeritWolff>
1822- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1823- <NumberOfMillerIndicesInRange> 1.1000e+002 </NumberOfMillerIndicesInRange>
1824- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1825- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1826-
1827- <NumberOfLatticesInNeighborhood> 26 </NumberOfLatticesInNeighborhood>
1828-
1829- <EquivalentLatticeCandidates>
1830- <LatticeCandidate>
1831- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1832- <LatticeParameters> 2.2165e+000 3.8432e+000 5.4265e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1833- </LatticeCandidate>
1834- <LatticeCandidate>
1835- <CrystalSystem> Triclinic </CrystalSystem>
1836- <LatticeParameters> 2.2165e+000 3.5046e+000 3.5046e+000 1.0147e+002 1.0843e+002 1.0843e+002 </LatticeParameters>
1837- </LatticeCandidate>
1838- </EquivalentLatticeCandidates>
1839-
1840- </LatticeCandidate>
1841-
1842- <LatticeCandidate number="0305832">
1843- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1844-
1845- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1846- <ReducedLatticeParameters> 6.4304e+000 3.6232e+000 2.1049e+000 9.0000e+001 1.0261e+002 9.0000e+001 </ReducedLatticeParameters>
1847- <OptimizedLatticeParameters> 6.4304e+000 3.6232e+000 2.1049e+000 9.0000e+001 1.0261e+002 9.0000e+001 </OptimizedLatticeParameters>
1848-
1849- <VolumeOfUnitCell> 4.7859e+001 </VolumeOfUnitCell>
1850- <FigureOfMeritWolff name="M20"> 1.0356e+001 </FigureOfMeritWolff>
1851- <FigureOfMeritWu name="Mwu20"> 1.5045e+001 </FigureOfMeritWu>
1852- <ReversedFigureOfMeritWolff name="Mrev20"> 2.1778e+000 </ReversedFigureOfMeritWolff>
1853- <SymmetricFigureOfMeritWolff name="Msym20"> 2.2553e+001 </SymmetricFigureOfMeritWolff>
1854- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1855- <NumberOfMillerIndicesInRange> 1.1450e+002 </NumberOfMillerIndicesInRange>
1856- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1857- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1858-
1859- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
1860-
1861- <EquivalentLatticeCandidates>
1862- <LatticeCandidate>
1863- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1864- <LatticeParameters> 2.0947e+000 3.6247e+000 6.2782e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1865- </LatticeCandidate>
1866- <LatticeCandidate>
1867- <CrystalSystem> Triclinic </CrystalSystem>
1868- <LatticeParameters> 2.1075e+000 3.6247e+000 3.6931e+000 1.1939e+002 1.0104e+002 9.0000e+001 </LatticeParameters>
1869- </LatticeCandidate>
1870- </EquivalentLatticeCandidates>
1871-
1872- </LatticeCandidate>
1873-
1874- <LatticeCandidate number="0305995">
1875- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1876-
1877- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1878- <ReducedLatticeParameters> 6.6559e+000 2.2185e+000 3.8429e+000 9.0000e+001 1.2526e+002 9.0000e+001 </ReducedLatticeParameters>
1879- <OptimizedLatticeParameters> 6.6564e+000 2.2185e+000 3.8429e+000 9.0000e+001 1.2527e+002 9.0000e+001 </OptimizedLatticeParameters>
1880-
1881- <VolumeOfUnitCell> 4.6335e+001 </VolumeOfUnitCell>
1882- <FigureOfMeritWolff name="M20"> 9.9347e+000 </FigureOfMeritWolff>
1883- <FigureOfMeritWu name="Mwu20"> 2.2003e+001 </FigureOfMeritWu>
1884- <ReversedFigureOfMeritWolff name="Mrev20"> 4.0114e+000 </ReversedFigureOfMeritWolff>
1885- <SymmetricFigureOfMeritWolff name="Msym20"> 3.9852e+001 </SymmetricFigureOfMeritWolff>
1886- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1887- <NumberOfMillerIndicesInRange> 1.2000e+002 </NumberOfMillerIndicesInRange>
1888- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1889- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1890-
1891- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
1892-
1893- <EquivalentLatticeCandidates>
1894- <LatticeCandidate>
1895- <CrystalSystem> Rhombohedral </CrystalSystem>
1896- <LatticeParameters> 5.6651e+000 5.6651e+000 2.1732e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1897- </LatticeCandidate>
1898- <LatticeCandidate>
1899- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1900- <LatticeParameters> 2.2128e+000 3.8432e+000 5.4214e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1901- </LatticeCandidate>
1902- <LatticeCandidate>
1903- <CrystalSystem> Triclinic </CrystalSystem>
1904- <LatticeParameters> 2.2128e+000 3.5009e+000 3.5033e+000 1.0143e+002 1.0841e+002 1.0842e+002 </LatticeParameters>
1905- </LatticeCandidate>
1906- </EquivalentLatticeCandidates>
1907-
1908- </LatticeCandidate>
1909-
1910- <LatticeCandidate number="0305965">
1911- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1912-
1913- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1914- <ReducedLatticeParameters> 5.4549e+000 3.8422e+000 2.1923e+000 9.0000e+001 9.4806e+001 9.0000e+001 </ReducedLatticeParameters>
1915- <OptimizedLatticeParameters> 5.4549e+000 3.8422e+000 2.1923e+000 9.0000e+001 9.4806e+001 9.0000e+001 </OptimizedLatticeParameters>
1916-
1917- <VolumeOfUnitCell> 4.5787e+001 </VolumeOfUnitCell>
1918- <FigureOfMeritWolff name="M20"> 7.5332e+000 </FigureOfMeritWolff>
1919- <FigureOfMeritWu name="Mwu20"> 7.5799e+000 </FigureOfMeritWu>
1920- <ReversedFigureOfMeritWolff name="Mrev20"> 2.3131e+000 </ReversedFigureOfMeritWolff>
1921- <SymmetricFigureOfMeritWolff name="Msym20"> 1.7425e+001 </SymmetricFigureOfMeritWolff>
1922- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1923- <NumberOfMillerIndicesInRange> 1.1100e+002 </NumberOfMillerIndicesInRange>
1924- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1925- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1926-
1927- <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood>
1928-
1929- <EquivalentLatticeCandidates>
1930- <LatticeCandidate>
1931- <CrystalSystem> Triclinic </CrystalSystem>
1932- <LatticeParameters> 2.2279e+000 3.3383e+000 3.3383e+000 7.0248e+001 8.5277e+001 8.5277e+001 </LatticeParameters>
1933- </LatticeCandidate>
1934- </EquivalentLatticeCandidates>
1935-
1936- </LatticeCandidate>
1937-
1938- <LatticeCandidate number="0306956">
1939- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1940-
1941- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1942- <ReducedLatticeParameters> 3.3280e+000 3.0150e+000 3.1862e+000 9.0000e+001 1.0003e+002 9.0000e+001 </ReducedLatticeParameters>
1943- <OptimizedLatticeParameters> 3.3280e+000 3.0150e+000 3.1862e+000 9.0000e+001 1.0003e+002 9.0000e+001 </OptimizedLatticeParameters>
1944-
1945- <VolumeOfUnitCell> 3.1482e+001 </VolumeOfUnitCell>
1946- <FigureOfMeritWolff name="M20"> 6.2112e+000 </FigureOfMeritWolff>
1947- <FigureOfMeritWu name="Mwu20"> 6.7168e+000 </FigureOfMeritWu>
1948- <ReversedFigureOfMeritWolff name="Mrev20"> 2.5686e+000 </ReversedFigureOfMeritWolff>
1949- <SymmetricFigureOfMeritWolff name="Msym20"> 1.5954e+001 </SymmetricFigureOfMeritWolff>
1950- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1951- <NumberOfMillerIndicesInRange> 7.8000e+001 </NumberOfMillerIndicesInRange>
1952- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
1953- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1954-
1955- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
1956-
1957- <EquivalentLatticeCandidates>
1958- <LatticeCandidate>
1959- <CrystalSystem> Triclinic </CrystalSystem>
1960- <LatticeParameters> 2.2446e+000 2.2446e+000 3.1856e+000 8.2558e+001 8.2558e+001 8.4429e+001 </LatticeParameters>
1961- </LatticeCandidate>
1962- </EquivalentLatticeCandidates>
1963-
1964- </LatticeCandidate>
1965-
1966- <LatticeCandidate number="0305757">
1967- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1968-
1969- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1970- <ReducedLatticeParameters> 5.4658e+000 3.8428e+000 2.3307e+000 9.0000e+001 9.6123e+001 9.0000e+001 </ReducedLatticeParameters>
1971- <OptimizedLatticeParameters> 5.4658e+000 3.8428e+000 2.3307e+000 9.0000e+001 9.6123e+001 9.0000e+001 </OptimizedLatticeParameters>
1972-
1973- <VolumeOfUnitCell> 4.8675e+001 </VolumeOfUnitCell>
1974- <FigureOfMeritWolff name="M20"> 6.1793e+000 </FigureOfMeritWolff>
1975- <FigureOfMeritWu name="Mwu20"> 6.2616e+000 </FigureOfMeritWu>
1976- <ReversedFigureOfMeritWolff name="Mrev20"> 2.2271e+000 </ReversedFigureOfMeritWolff>
1977- <SymmetricFigureOfMeritWolff name="Msym20"> 1.3762e+001 </SymmetricFigureOfMeritWolff>
1978- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1979- <NumberOfMillerIndicesInRange> 1.1700e+002 </NumberOfMillerIndicesInRange>
1980- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1981- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1982-
1983- <NumberOfLatticesInNeighborhood> 9 </NumberOfLatticesInNeighborhood>
1984-
1985- <EquivalentLatticeCandidates>
1986- <LatticeCandidate>
1987- <CrystalSystem> Triclinic </CrystalSystem>
1988- <LatticeParameters> 2.3307e+000 3.3382e+000 3.3382e+000 7.0290e+001 8.4966e+001 8.4966e+001 </LatticeParameters>
1989- </LatticeCandidate>
1990- </EquivalentLatticeCandidates>
1991-
1992- </LatticeCandidate>
1993-
1994- <LatticeCandidate number="0305709">
1995- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1996-
1997- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1998- <ReducedLatticeParameters> 3.3284e+000 4.7464e+000 3.1868e+000 9.0000e+001 9.9985e+001 9.0000e+001 </ReducedLatticeParameters>
1999- <OptimizedLatticeParameters> 3.3284e+000 4.7464e+000 3.1868e+000 9.0000e+001 9.9985e+001 9.0000e+001 </OptimizedLatticeParameters>
2000-
2001- <VolumeOfUnitCell> 4.9583e+001 </VolumeOfUnitCell>
2002- <FigureOfMeritWolff name="M20"> 5.2850e+000 </FigureOfMeritWolff>
2003- <FigureOfMeritWu name="Mwu20"> 6.0539e+000 </FigureOfMeritWu>
2004- <ReversedFigureOfMeritWolff name="Mrev20"> 2.2321e+000 </ReversedFigureOfMeritWolff>
2005- <SymmetricFigureOfMeritWolff name="Msym20"> 1.1797e+001 </SymmetricFigureOfMeritWolff>
2006- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2007- <NumberOfMillerIndicesInRange> 1.1800e+002 </NumberOfMillerIndicesInRange>
2008- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2009- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2010-
2011- <NumberOfLatticesInNeighborhood> 18 </NumberOfLatticesInNeighborhood>
2012-
2013- <EquivalentLatticeCandidates>
2014- <LatticeCandidate>
2015- <CrystalSystem> Triclinic </CrystalSystem>
2016- <LatticeParameters> 2.8948e+000 2.8948e+000 3.1853e+000 9.5751e+001 9.5751e+001 1.0983e+002 </LatticeParameters>
2017- </LatticeCandidate>
2018- </EquivalentLatticeCandidates>
2019-
2020- </LatticeCandidate>
2021-
2022- <LatticeCandidate number="0305770">
2023- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2024-
2025- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2026- <ReducedLatticeParameters> 3.8607e+000 5.4333e+000 2.3159e+000 9.0000e+001 9.5247e+001 9.0000e+001 </ReducedLatticeParameters>
2027- <OptimizedLatticeParameters> 3.8607e+000 5.4333e+000 2.3159e+000 9.0000e+001 9.5247e+001 9.0000e+001 </OptimizedLatticeParameters>
2028-
2029- <VolumeOfUnitCell> 4.8374e+001 </VolumeOfUnitCell>
2030- <FigureOfMeritWolff name="M20"> 5.1359e+000 </FigureOfMeritWolff>
2031- <FigureOfMeritWu name="Mwu20"> 4.8826e+000 </FigureOfMeritWu>
2032- <ReversedFigureOfMeritWolff name="Mrev20"> 2.1921e+000 </ReversedFigureOfMeritWolff>
2033- <SymmetricFigureOfMeritWolff name="Msym20"> 1.1258e+001 </SymmetricFigureOfMeritWolff>
2034- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2035- <NumberOfMillerIndicesInRange> 1.1350e+002 </NumberOfMillerIndicesInRange>
2036- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2037- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2038-
2039- <NumberOfLatticesInNeighborhood> 48 </NumberOfLatticesInNeighborhood>
2040-
2041- <EquivalentLatticeCandidates>
2042- <LatticeCandidate>
2043- <CrystalSystem> Triclinic </CrystalSystem>
2044- <LatticeParameters> 2.3240e+000 3.3307e+000 3.3307e+000 1.0935e+002 9.2517e+001 9.2517e+001 </LatticeParameters>
2045- </LatticeCandidate>
2046- </EquivalentLatticeCandidates>
2047-
2048- </LatticeCandidate>
2049-
2050- <LatticeCandidate number="0306802">
2051- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2052-
2053- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2054- <ReducedLatticeParameters> 3.4367e+000 3.8420e+000 2.8501e+000 9.0000e+001 1.0756e+002 9.0000e+001 </ReducedLatticeParameters>
2055- <OptimizedLatticeParameters> 3.4367e+000 3.8420e+000 2.8501e+000 9.0000e+001 1.0756e+002 9.0000e+001 </OptimizedLatticeParameters>
2056-
2057- <VolumeOfUnitCell> 3.5879e+001 </VolumeOfUnitCell>
2058- <FigureOfMeritWolff name="M20"> 5.1225e+000 </FigureOfMeritWolff>
2059- <FigureOfMeritWu name="Mwu20"> 6.2381e+000 </FigureOfMeritWu>
2060- <ReversedFigureOfMeritWolff name="Mrev20"> 3.3275e+000 </ReversedFigureOfMeritWolff>
2061- <SymmetricFigureOfMeritWolff name="Msym20"> 1.7045e+001 </SymmetricFigureOfMeritWolff>
2062- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2063- <NumberOfMillerIndicesInRange> 8.5000e+001 </NumberOfMillerIndicesInRange>
2064- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
2065- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2066-
2067- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
2068-
2069- <EquivalentLatticeCandidates>
2070- <LatticeCandidate>
2071- <CrystalSystem> Rhombohedral </CrystalSystem>
2072- <LatticeParameters> 3.9420e+000 3.9420e+000 3.7527e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
2073- </LatticeCandidate>
2074- <LatticeCandidate>
2075- <CrystalSystem> Rhombohedral </CrystalSystem>
2076- <LatticeParameters> 4.1287e+000 4.1287e+000 2.7557e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
2077- </LatticeCandidate>
2078- <LatticeCandidate>
2079- <CrystalSystem> Rhombohedral </CrystalSystem>
2080- <LatticeParameters> 4.1287e+000 4.1287e+000 2.1796e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
2081- </LatticeCandidate>
2082- <LatticeCandidate>
2083- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
2084- <LatticeParameters> 2.4935e+000 2.4935e+000 5.4406e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2085- </LatticeCandidate>
2086- <LatticeCandidate>
2087- <CrystalSystem> Triclinic </CrystalSystem>
2088- <LatticeParameters> 2.5781e+000 2.5781e+000 2.8507e+000 1.0152e+002 1.0152e+002 9.6163e+001 </LatticeParameters>
2089- </LatticeCandidate>
2090- </EquivalentLatticeCandidates>
2091-
2092- </LatticeCandidate>
2093-
2094- <LatticeCandidate number="0306861">
2095- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2096-
2097- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2098- <ReducedLatticeParameters> 6.3173e+000 2.4933e+000 2.2339e+000 9.0000e+001 9.6812e+001 9.0000e+001 </ReducedLatticeParameters>
2099- <OptimizedLatticeParameters> 6.3173e+000 2.4933e+000 2.2339e+000 9.0000e+001 9.6812e+001 9.0000e+001 </OptimizedLatticeParameters>
2100-
2101- <VolumeOfUnitCell> 3.4938e+001 </VolumeOfUnitCell>
2102- <FigureOfMeritWolff name="M20"> 4.8787e+000 </FigureOfMeritWolff>
2103- <FigureOfMeritWu name="Mwu20"> 4.8516e+000 </FigureOfMeritWu>
2104- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0558e+000 </ReversedFigureOfMeritWolff>
2105- <SymmetricFigureOfMeritWolff name="Msym20"> 1.0029e+001 </SymmetricFigureOfMeritWolff>
2106- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2107- <NumberOfMillerIndicesInRange> 8.8000e+001 </NumberOfMillerIndicesInRange>
2108- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2109- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2110-
2111- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
2112-
2113- <EquivalentLatticeCandidates>
2114- <LatticeCandidate>
2115- <CrystalSystem> Triclinic </CrystalSystem>
2116- <LatticeParameters> 2.2339e+000 2.4933e+000 3.3958e+000 1.1154e+002 9.6334e+001 9.0000e+001 </LatticeParameters>
2117- </LatticeCandidate>
2118- </EquivalentLatticeCandidates>
2119-
2120- </LatticeCandidate>
2121-
2122- <LatticeCandidate number="0305589">
2123- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2124-
2125- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2126- <ReducedLatticeParameters> 5.9436e+000 3.8428e+000 2.4677e+000 9.0000e+001 1.1388e+002 9.0000e+001 </ReducedLatticeParameters>
2127- <OptimizedLatticeParameters> 5.9436e+000 3.8428e+000 2.4677e+000 9.0000e+001 1.1388e+002 9.0000e+001 </OptimizedLatticeParameters>
2128-
2129- <VolumeOfUnitCell> 5.1537e+001 </VolumeOfUnitCell>
2130- <FigureOfMeritWolff name="M20"> 4.2058e+000 </FigureOfMeritWolff>
2131- <FigureOfMeritWu name="Mwu20"> 5.4259e+000 </FigureOfMeritWu>
2132- <ReversedFigureOfMeritWolff name="Mrev20"> 1.6728e+000 </ReversedFigureOfMeritWolff>
2133- <SymmetricFigureOfMeritWolff name="Msym20"> 7.0354e+000 </SymmetricFigureOfMeritWolff>
2134- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2135- <NumberOfMillerIndicesInRange> 1.2000e+002 </NumberOfMillerIndicesInRange>
2136- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
2137- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
2138-
2139- <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood>
2140-
2141- <EquivalentLatticeCandidates>
2142- <LatticeCandidate>
2143- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
2144- <LatticeParameters> 2.4559e+000 3.8430e+000 5.4372e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2145- </LatticeCandidate>
2146- <LatticeCandidate>
2147- <CrystalSystem> Triclinic </CrystalSystem>
2148- <LatticeParameters> 2.4559e+000 3.5446e+000 3.5446e+000 6.5651e+001 6.9917e+001 6.9917e+001 </LatticeParameters>
2149- </LatticeCandidate>
2150- </EquivalentLatticeCandidates>
2151-
2152- </LatticeCandidate>
2153-
2154- <LatticeCandidate number="0306501">
2155- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2156-
2157- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2158- <ReducedLatticeParameters> 2.0970e+000 5.4345e+000 3.5151e+000 9.0000e+001 9.5593e+001 9.0000e+001 </ReducedLatticeParameters>
2159- <OptimizedLatticeParameters> 2.0970e+000 5.4345e+000 3.5151e+000 9.0000e+001 9.5593e+001 9.0000e+001 </OptimizedLatticeParameters>
2160-
2161- <VolumeOfUnitCell> 3.9868e+001 </VolumeOfUnitCell>
2162- <FigureOfMeritWolff name="M20"> 3.7319e+000 </FigureOfMeritWolff>
2163- <FigureOfMeritWu name="Mwu20"> 4.0421e+000 </FigureOfMeritWu>
2164- <ReversedFigureOfMeritWolff name="Mrev20"> 2.3573e+000 </ReversedFigureOfMeritWolff>
2165- <SymmetricFigureOfMeritWolff name="Msym20"> 8.7970e+000 </SymmetricFigureOfMeritWolff>
2166- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2167- <NumberOfMillerIndicesInRange> 9.4000e+001 </NumberOfMillerIndicesInRange>
2168- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
2169- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2170-
2171- <NumberOfLatticesInNeighborhood> 75 </NumberOfLatticesInNeighborhood>
2172-
2173- <EquivalentLatticeCandidates>
2174- <LatticeCandidate>
2175- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
2176- <LatticeParameters> 2.0562e+000 5.4385e+000 6.9921e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2177- </LatticeCandidate>
2178- <LatticeCandidate>
2179- <CrystalSystem> Triclinic </CrystalSystem>
2180- <LatticeParameters> 2.0982e+000 2.9146e+000 3.5124e+000 8.8012e+001 8.4470e+001 6.8903e+001 </LatticeParameters>
2181- </LatticeCandidate>
2182- </EquivalentLatticeCandidates>
2183-
2184- </LatticeCandidate>
2185-
2186- <LatticeCandidate number="0306470">
2187- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2188-
2189- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2190- <ReducedLatticeParameters> 4.1439e+000 5.4334e+000 1.9697e+000 9.0000e+001 1.1197e+002 9.0000e+001 </ReducedLatticeParameters>
2191- <OptimizedLatticeParameters> 4.1439e+000 5.4334e+000 1.9697e+000 9.0000e+001 1.1197e+002 9.0000e+001 </OptimizedLatticeParameters>
2192-
2193- <VolumeOfUnitCell> 4.1128e+001 </VolumeOfUnitCell>
2194- <FigureOfMeritWolff name="M20"> 3.6585e+000 </FigureOfMeritWolff>
2195- <FigureOfMeritWu name="Mwu20"> 3.7080e+000 </FigureOfMeritWu>
2196- <ReversedFigureOfMeritWolff name="Mrev20"> 2.1936e+000 </ReversedFigureOfMeritWolff>
2197- <SymmetricFigureOfMeritWolff name="Msym20"> 8.0254e+000 </SymmetricFigureOfMeritWolff>
2198- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2199- <NumberOfMillerIndicesInRange> 9.8000e+001 </NumberOfMillerIndicesInRange>
2200- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2201- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2202-
2203- <NumberOfLatticesInNeighborhood> 21 </NumberOfLatticesInNeighborhood>
2204-
2205- <EquivalentLatticeCandidates>
2206- <LatticeCandidate>
2207- <CrystalSystem> Triclinic </CrystalSystem>
2208- <LatticeParameters> 1.9455e+000 3.4066e+000 3.4066e+000 1.0589e+002 1.0225e+002 1.0225e+002 </LatticeParameters>
2209- </LatticeCandidate>
2210- </EquivalentLatticeCandidates>
2211-
2212- </LatticeCandidate>
2213-
2214- <LatticeCandidate number="0306407">
2215- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2216-
2217- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2218- <ReducedLatticeParameters> 2.4689e+000 5.4350e+000 3.1610e+000 9.0000e+001 9.6902e+001 9.0000e+001 </ReducedLatticeParameters>
2219- <OptimizedLatticeParameters> 2.4689e+000 5.4350e+000 3.1610e+000 9.0000e+001 9.6902e+001 9.0000e+001 </OptimizedLatticeParameters>
2220-
2221- <VolumeOfUnitCell> 4.2109e+001 </VolumeOfUnitCell>
2222- <FigureOfMeritWolff name="M20"> 3.5238e+000 </FigureOfMeritWolff>
2223- <FigureOfMeritWu name="Mwu20"> 3.2260e+000 </FigureOfMeritWu>
2224- <ReversedFigureOfMeritWolff name="Mrev20"> 2.1636e+000 </ReversedFigureOfMeritWolff>
2225- <SymmetricFigureOfMeritWolff name="Msym20"> 7.6239e+000 </SymmetricFigureOfMeritWolff>
2226- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2227- <NumberOfMillerIndicesInRange> 9.4000e+001 </NumberOfMillerIndicesInRange>
2228- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
2229- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
2230-
2231- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
2232-
2233- <EquivalentLatticeCandidates>
2234- <LatticeCandidate>
2235- <CrystalSystem> Triclinic </CrystalSystem>
2236- <LatticeParameters> 2.4544e+000 2.9815e+000 3.1706e+000 8.7038e+001 8.2789e+001 6.5694e+001 </LatticeParameters>
2237- </LatticeCandidate>
2238- </EquivalentLatticeCandidates>
2239-
2240- </LatticeCandidate>
2241-
2242- <LatticeCandidate number="0305983">
2243- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2244-
2245- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2246- <ReducedLatticeParameters> 4.3142e+000 4.6992e+000 2.2980e+000 9.0000e+001 9.8579e+001 9.0000e+001 </ReducedLatticeParameters>
2247- <OptimizedLatticeParameters> 4.3142e+000 4.6992e+000 2.2980e+000 9.0000e+001 9.8579e+001 9.0000e+001 </OptimizedLatticeParameters>
2248-
2249- <VolumeOfUnitCell> 4.6067e+001 </VolumeOfUnitCell>
2250- <FigureOfMeritWolff name="M20"> 3.5236e+000 </FigureOfMeritWolff>
2251- <FigureOfMeritWu name="Mwu20"> 3.2574e+000 </FigureOfMeritWu>
2252- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0307e+000 </ReversedFigureOfMeritWolff>
2253- <SymmetricFigureOfMeritWolff name="Msym20"> 7.1555e+000 </SymmetricFigureOfMeritWolff>
2254- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2255- <NumberOfMillerIndicesInRange> 1.0950e+002 </NumberOfMillerIndicesInRange>
2256- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2257- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2258-
2259- <NumberOfLatticesInNeighborhood> 17 </NumberOfLatticesInNeighborhood>
2260-
2261- <EquivalentLatticeCandidates>
2262- <LatticeCandidate>
2263- <CrystalSystem> Triclinic </CrystalSystem>
2264- <LatticeParameters> 2.2894e+000 3.2014e+000 3.2014e+000 9.4807e+001 9.5804e+001 9.5804e+001 </LatticeParameters>
2265- </LatticeCandidate>
2266- </EquivalentLatticeCandidates>
2267-
2268- </LatticeCandidate>
2269-
2270- <LatticeCandidate number="0306806">
2271- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2272-
2273- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2274- <ReducedLatticeParameters> 2.9709e+000 6.2730e+000 2.3592e+000 9.0000e+001 1.2548e+002 9.0000e+001 </ReducedLatticeParameters>
2275- <OptimizedLatticeParameters> 2.9709e+000 6.2730e+000 2.3592e+000 9.0000e+001 1.2548e+002 9.0000e+001 </OptimizedLatticeParameters>
2276-
2277- <VolumeOfUnitCell> 3.5804e+001 </VolumeOfUnitCell>
2278- <FigureOfMeritWolff name="M20"> 3.5056e+000 </FigureOfMeritWolff>
2279- <FigureOfMeritWu name="Mwu20"> 3.2313e+000 </FigureOfMeritWu>
2280- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0691e+000 </ReversedFigureOfMeritWolff>
2281- <SymmetricFigureOfMeritWolff name="Msym20"> 7.2535e+000 </SymmetricFigureOfMeritWolff>
2282- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2283- <NumberOfMillerIndicesInRange> 8.3000e+001 </NumberOfMillerIndicesInRange>
2284- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
2285- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2286-
2287- <NumberOfLatticesInNeighborhood> 10 </NumberOfLatticesInNeighborhood>
2288-
2289- <EquivalentLatticeCandidates>
2290- <LatticeCandidate>
2291- <CrystalSystem> Triclinic </CrystalSystem>
2292- <LatticeParameters> 2.3553e+000 2.5083e+000 3.4720e+000 1.0602e+002 1.0438e+002 1.0457e+002 </LatticeParameters>
2293- </LatticeCandidate>
2294- </EquivalentLatticeCandidates>
2295-
2296- </LatticeCandidate>
2297-
2298- <LatticeCandidate number="0307006">
2299- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2300-
2301- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2302- <ReducedLatticeParameters> 2.4131e+000 6.2711e+000 2.0305e+000 9.0000e+001 1.0890e+002 9.0000e+001 </ReducedLatticeParameters>
2303- <OptimizedLatticeParameters> 2.4131e+000 6.2711e+000 2.0305e+000 9.0000e+001 1.0890e+002 9.0000e+001 </OptimizedLatticeParameters>
2304-
2305- <VolumeOfUnitCell> 2.9069e+001 </VolumeOfUnitCell>
2306- <FigureOfMeritWolff name="M20"> 3.4901e+000 </FigureOfMeritWolff>
2307- <FigureOfMeritWu name="Mwu20"> 3.0315e+000 </FigureOfMeritWu>
2308- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0839e+000 </ReversedFigureOfMeritWolff>
2309- <SymmetricFigureOfMeritWolff name="Msym20"> 7.2732e+000 </SymmetricFigureOfMeritWolff>
2310- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2311- <NumberOfMillerIndicesInRange> 6.7500e+001 </NumberOfMillerIndicesInRange>
2312- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2313- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2314-
2315- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
2316-
2317- <EquivalentLatticeCandidates>
2318- <LatticeCandidate>
2319- <CrystalSystem> Triclinic </CrystalSystem>
2320- <LatticeParameters> 2.0265e+000 2.4057e+000 3.3593e+000 6.9018e+001 8.3430e+001 7.1365e+001 </LatticeParameters>
2321- </LatticeCandidate>
2322- </EquivalentLatticeCandidates>
2323-
2324- </LatticeCandidate>
2325-
2326- <LatticeCandidate number="0306680">
2327- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2328-
2329- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2330- <ReducedLatticeParameters> 3.1467e+000 3.8431e+000 3.4135e+000 9.0000e+001 1.1290e+002 9.0000e+001 </ReducedLatticeParameters>
2331- <OptimizedLatticeParameters> 3.1467e+000 3.8431e+000 3.4135e+000 9.0000e+001 1.1290e+002 9.0000e+001 </OptimizedLatticeParameters>
2332-
2333- <VolumeOfUnitCell> 3.8028e+001 </VolumeOfUnitCell>
2334- <FigureOfMeritWolff name="M20"> 3.3596e+000 </FigureOfMeritWolff>
2335- <FigureOfMeritWu name="Mwu20"> 3.2436e+000 </FigureOfMeritWu>
2336- <ReversedFigureOfMeritWolff name="Mrev20"> 1.9334e+000 </ReversedFigureOfMeritWolff>
2337- <SymmetricFigureOfMeritWolff name="Msym20"> 6.4954e+000 </SymmetricFigureOfMeritWolff>
2338- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2339- <NumberOfMillerIndicesInRange> 9.0000e+001 </NumberOfMillerIndicesInRange>
2340- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
2341- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2342-
2343- <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood>
2344-
2345- <EquivalentLatticeCandidates>
2346- <LatticeCandidate>
2347- <CrystalSystem> Triclinic </CrystalSystem>
2348- <LatticeParameters> 2.4822e+000 2.4822e+000 3.3970e+000 1.0407e+002 1.0407e+002 1.0144e+002 </LatticeParameters>
2349- </LatticeCandidate>
2350- </EquivalentLatticeCandidates>
2351-
2352- </LatticeCandidate>
2353-
2354- <LatticeCandidate number="0306533">
2355- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2356-
2357- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2358- <ReducedLatticeParameters> 4.4503e+000 2.8265e+000 3.6320e+000 9.0000e+001 1.2028e+002 9.0000e+001 </ReducedLatticeParameters>
2359- <OptimizedLatticeParameters> 4.4503e+000 2.8265e+000 3.6320e+000 9.0000e+001 1.2028e+002 9.0000e+001 </OptimizedLatticeParameters>
2360-
2361- <VolumeOfUnitCell> 3.9454e+001 </VolumeOfUnitCell>
2362- <FigureOfMeritWolff name="M20"> 3.3149e+000 </FigureOfMeritWolff>
2363- <FigureOfMeritWu name="Mwu20"> 2.9375e+000 </FigureOfMeritWu>
2364- <ReversedFigureOfMeritWolff name="Mrev20"> 1.8781e+000 </ReversedFigureOfMeritWolff>
2365- <SymmetricFigureOfMeritWolff name="Msym20"> 6.2258e+000 </SymmetricFigureOfMeritWolff>
2366- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2367- <NumberOfMillerIndicesInRange> 1.0000e+002 </NumberOfMillerIndicesInRange>
2368- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2369- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
2370-
2371- <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood>
2372-
2373- <EquivalentLatticeCandidates>
2374- <LatticeCandidate>
2375- <CrystalSystem> Triclinic </CrystalSystem>
2376- <LatticeParameters> 2.6360e+000 2.6360e+000 3.4627e+000 1.0835e+002 9.7053e+001 1.1516e+002 </LatticeParameters>
2377- </LatticeCandidate>
2378- </EquivalentLatticeCandidates>
2379-
2380- </LatticeCandidate>
2381-
2382- <LatticeCandidate number="0306454">
2383- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2384-
2385- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2386- <ReducedLatticeParameters> 6.4456e+000 2.0256e+000 3.1574e+000 9.0000e+001 9.5434e+001 9.0000e+001 </ReducedLatticeParameters>
2387- <OptimizedLatticeParameters> 6.4456e+000 2.0256e+000 3.1574e+000 9.0000e+001 9.5434e+001 9.0000e+001 </OptimizedLatticeParameters>
2388-
2389- <VolumeOfUnitCell> 4.1038e+001 </VolumeOfUnitCell>
2390- <FigureOfMeritWolff name="M20"> 3.2627e+000 </FigureOfMeritWolff>
2391- <FigureOfMeritWu name="Mwu20"> 2.9415e+000 </FigureOfMeritWu>
2392- <ReversedFigureOfMeritWolff name="Mrev20"> 2.1352e+000 </ReversedFigureOfMeritWolff>
2393- <SymmetricFigureOfMeritWolff name="Msym20"> 6.9667e+000 </SymmetricFigureOfMeritWolff>
2394- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2395- <NumberOfMillerIndicesInRange> 1.0450e+002 </NumberOfMillerIndicesInRange>
2396- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2397- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2398-
2399- <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood>
2400-
2401- <EquivalentLatticeCandidates>
2402- <LatticeCandidate>
2403- <CrystalSystem> Triclinic </CrystalSystem>
2404- <LatticeParameters> 2.0244e+000 3.1508e+000 3.3757e+000 9.5201e+001 1.0745e+002 9.0000e+001 </LatticeParameters>
2405- </LatticeCandidate>
2406- </EquivalentLatticeCandidates>
2407-
2408- </LatticeCandidate>
2409-
2410- <LatticeCandidate number="0305656">
2411- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2412-
2413- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2414- <ReducedLatticeParameters> 3.8736e+000 6.2753e+000 2.6627e+000 9.0000e+001 1.2871e+002 9.0000e+001 </ReducedLatticeParameters>
2415- <OptimizedLatticeParameters> 3.8736e+000 6.2753e+000 2.6627e+000 9.0000e+001 1.2871e+002 9.0000e+001 </OptimizedLatticeParameters>
2416-
2417- <VolumeOfUnitCell> 5.0506e+001 </VolumeOfUnitCell>
2418- <FigureOfMeritWolff name="M20"> 3.0549e+000 </FigureOfMeritWolff>
2419- <FigureOfMeritWu name="Mwu20"> 2.7710e+000 </FigureOfMeritWu>
2420- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0396e+000 </ReversedFigureOfMeritWolff>
2421- <SymmetricFigureOfMeritWolff name="Msym20"> 6.2308e+000 </SymmetricFigureOfMeritWolff>
2422- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2423- <NumberOfMillerIndicesInRange> 1.1500e+002 </NumberOfMillerIndicesInRange>
2424- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
2425- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2426-
2427- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
2428-
2429- <EquivalentLatticeCandidates>
2430- <LatticeCandidate>
2431- <CrystalSystem> Rhombohedral </CrystalSystem>
2432- <LatticeParameters> 5.9554e+000 5.9554e+000 2.5950e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
2433- </LatticeCandidate>
2434- <LatticeCandidate>
2435- <CrystalSystem> Triclinic </CrystalSystem>
2436- <LatticeParameters> 2.6577e+000 3.0251e+000 3.6892e+000 1.1258e+002 1.0930e+002 9.4143e+001 </LatticeParameters>
2437- </LatticeCandidate>
2438- </EquivalentLatticeCandidates>
2439-
2440- </LatticeCandidate>
2441-
2442- <LatticeCandidate number="0307213">
2443- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2444-
2445- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2446- <ReducedLatticeParameters> 2.0542e+000 5.4370e+000 2.1759e+000 9.0000e+001 1.0907e+002 9.0000e+001 </ReducedLatticeParameters>
2447- <OptimizedLatticeParameters> 2.0542e+000 5.4370e+000 2.1759e+000 9.0000e+001 1.0907e+002 9.0000e+001 </OptimizedLatticeParameters>
2448-
2449- <VolumeOfUnitCell> 2.2969e+001 </VolumeOfUnitCell>
2450- <FigureOfMeritWolff name="M20"> 3.0192e+000 </FigureOfMeritWolff>
2451- <FigureOfMeritWu name="Mwu20"> 2.8862e+000 </FigureOfMeritWu>
2452- <ReversedFigureOfMeritWolff name="Mrev20"> 2.5312e+000 </ReversedFigureOfMeritWolff>
2453- <SymmetricFigureOfMeritWolff name="Msym20"> 7.6421e+000 </SymmetricFigureOfMeritWolff>
2454- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2455- <NumberOfMillerIndicesInRange> 5.5500e+001 </NumberOfMillerIndicesInRange>
2456- <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks>
2457- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2458-
2459- <NumberOfLatticesInNeighborhood> 16 </NumberOfLatticesInNeighborhood>
2460-
2461- <EquivalentLatticeCandidates>
2462- <LatticeCandidate>
2463- <CrystalSystem> Rhombohedral </CrystalSystem>
2464- <LatticeParameters> 2.2772e+000 2.2772e+000 8.1578e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
2465- </LatticeCandidate>
2466- <LatticeCandidate>
2467- <CrystalSystem> Triclinic </CrystalSystem>
2468- <LatticeParameters> 2.0613e+000 2.1843e+000 2.9080e+000 8.3500e+001 6.9242e+001 7.1374e+001 </LatticeParameters>
2469- </LatticeCandidate>
2470- </EquivalentLatticeCandidates>
2471-
2472- </LatticeCandidate>
2473-
2474-
2475-
2476- <!-- Candidates for Monoclinic(P) -->
2477-
2478- <LatticeCandidate number="020724">
2479- <CrystalSystem> Monoclinic(P) </CrystalSystem>
2480-
2481- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2482- <ReducedLatticeParameters> 3.3280e+000 2.2186e+000 3.3282e+000 9.0000e+001 1.0947e+002 9.0000e+001 </ReducedLatticeParameters>
2483- <OptimizedLatticeParameters> 3.3280e+000 2.2186e+000 3.3282e+000 9.0000e+001 1.0947e+002 9.0000e+001 </OptimizedLatticeParameters>
2484-
2485- <VolumeOfUnitCell> 2.3168e+001 </VolumeOfUnitCell>
2486- <FigureOfMeritWolff name="M20"> 1.2713e+001 </FigureOfMeritWolff>
2487- <FigureOfMeritWu name="Mwu20"> 1.9056e+001 </FigureOfMeritWu>
2488- <ReversedFigureOfMeritWolff name="Mrev20"> 2.7121e+000 </ReversedFigureOfMeritWolff>
2489- <SymmetricFigureOfMeritWolff name="Msym20"> 3.4479e+001 </SymmetricFigureOfMeritWolff>
2490- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2491- <NumberOfMillerIndicesInRange> 1.2000e+002 </NumberOfMillerIndicesInRange>
2492- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2493- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2494-
2495- <NumberOfLatticesInNeighborhood> 15 </NumberOfLatticesInNeighborhood>
2496-
2497- <EquivalentLatticeCandidates>
2498- <LatticeCandidate>
2499- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2500- <LatticeParameters> 5.4410e+000 3.8449e+000 2.2209e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2501- </LatticeCandidate>
2502- </EquivalentLatticeCandidates>
2503-
2504- </LatticeCandidate>
2505-
2506- <LatticeCandidate number="020760">
2507- <CrystalSystem> Monoclinic(P) </CrystalSystem>
2508-
2509- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2510- <ReducedLatticeParameters> 2.2367e+000 3.1379e+000 3.1638e+000 9.0000e+001 9.6575e+001 9.0000e+001 </ReducedLatticeParameters>
2511- <OptimizedLatticeParameters> 2.2367e+000 3.1379e+000 3.1638e+000 9.0000e+001 9.6575e+001 9.0000e+001 </OptimizedLatticeParameters>
2512-
2513- <VolumeOfUnitCell> 2.2059e+001 </VolumeOfUnitCell>
2514- <FigureOfMeritWolff name="M20"> 8.0250e+000 </FigureOfMeritWolff>
2515- <FigureOfMeritWu name="Mwu20"> 8.1091e+000 </FigureOfMeritWu>
2516- <ReversedFigureOfMeritWolff name="Mrev20"> 2.2804e+000 </ReversedFigureOfMeritWolff>
2517- <SymmetricFigureOfMeritWolff name="Msym20"> 1.8301e+001 </SymmetricFigureOfMeritWolff>
2518- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2519- <NumberOfMillerIndicesInRange> 1.0900e+002 </NumberOfMillerIndicesInRange>
2520- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2521- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2522-
2523- <NumberOfLatticesInNeighborhood> 28 </NumberOfLatticesInNeighborhood>
2524-
2525- <EquivalentLatticeCandidates>
2526- <LatticeCandidate>
2527- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2528- <LatticeParameters> 4.4707e+000 4.4567e+000 2.2322e+000 9.0000e+001 9.4543e+001 9.0000e+001 </LatticeParameters>
2529- </LatticeCandidate>
2530- </EquivalentLatticeCandidates>
2531-
2532- </LatticeCandidate>
2533-
2534- <LatticeCandidate number="020814">
2535- <CrystalSystem> Monoclinic(P) </CrystalSystem>
2536-
2537- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2538- <ReducedLatticeParameters> 3.3280e+000 1.9214e+000 3.3281e+000 9.0000e+001 1.0948e+002 9.0000e+001 </ReducedLatticeParameters>
2539- <OptimizedLatticeParameters> 3.3280e+000 1.9214e+000 3.3281e+000 9.0000e+001 1.0948e+002 9.0000e+001 </OptimizedLatticeParameters>
2540-
2541- <VolumeOfUnitCell> 2.0064e+001 </VolumeOfUnitCell>
2542- <FigureOfMeritWolff name="M20"> 4.5377e+000 </FigureOfMeritWolff>
2543- <FigureOfMeritWu name="Mwu20"> 1.0756e+001 </FigureOfMeritWu>
2544- <ReversedFigureOfMeritWolff name="Mrev20"> 7.2973e+000 </ReversedFigureOfMeritWolff>
2545- <SymmetricFigureOfMeritWolff name="Msym20"> 3.3113e+001 </SymmetricFigureOfMeritWolff>
2546- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2547- <NumberOfMillerIndicesInRange> 9.8500e+001 </NumberOfMillerIndicesInRange>
2548- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2549- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2550-
2551- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
2552-
2553- <EquivalentLatticeCandidates>
2554- <LatticeCandidate>
2555- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2556- <LatticeParameters> 6.6545e+000 1.8874e+000 3.3283e+000 9.0000e+001 1.0954e+002 9.0000e+001 </LatticeParameters>
2557- </LatticeCandidate>
2558- <LatticeCandidate>
2559- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2560- <LatticeParameters> 3.8391e+000 5.4367e+000 1.9792e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2561- </LatticeCandidate>
2562- <LatticeCandidate>
2563- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2564- <LatticeParameters> 4.2657e+000 5.4367e+000 1.8598e+000 9.0000e+001 1.1584e+002 9.0000e+001 </LatticeParameters>
2565- </LatticeCandidate>
2566- </EquivalentLatticeCandidates>
2567-
2568- </LatticeCandidate>
2569-
2570- <LatticeCandidate number="020821">
2571- <CrystalSystem> Monoclinic(P) </CrystalSystem>
2572-
2573- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2574- <ReducedLatticeParameters> 2.1059e+000 3.1384e+000 3.1944e+000 9.0000e+001 1.0285e+002 9.0000e+001 </ReducedLatticeParameters>
2575- <OptimizedLatticeParameters> 2.1059e+000 3.1384e+000 3.1944e+000 9.0000e+001 1.0285e+002 9.0000e+001 </OptimizedLatticeParameters>
2576-
2577- <VolumeOfUnitCell> 2.0584e+001 </VolumeOfUnitCell>
2578- <FigureOfMeritWolff name="M20"> 4.0808e+000 </FigureOfMeritWolff>
2579- <FigureOfMeritWu name="Mwu20"> 4.6418e+000 </FigureOfMeritWu>
2580- <ReversedFigureOfMeritWolff name="Mrev20"> 2.5252e+000 </ReversedFigureOfMeritWolff>
2581- <SymmetricFigureOfMeritWolff name="Msym20"> 1.0305e+001 </SymmetricFigureOfMeritWolff>
2582- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2583- <NumberOfMillerIndicesInRange> 1.0200e+002 </NumberOfMillerIndicesInRange>
2584- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
2585- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2586-
2587- <NumberOfLatticesInNeighborhood> 40 </NumberOfLatticesInNeighborhood>
2588-
2589- <EquivalentLatticeCandidates>
2590- <LatticeCandidate>
2591- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2592- <LatticeParameters> 6.2299e+000 2.0904e+000 3.1297e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2593- </LatticeCandidate>
2594- <LatticeCandidate>
2595- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2596- <LatticeParameters> 4.4730e+000 4.4156e+000 2.0747e+000 9.0000e+001 9.9193e+001 9.0000e+001 </LatticeParameters>
2597- </LatticeCandidate>
2598- </EquivalentLatticeCandidates>
2599-
2600- </LatticeCandidate>
2601-
2602- <LatticeCandidate number="020968">
2603- <CrystalSystem> Monoclinic(P) </CrystalSystem>
2604-
2605- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2606- <ReducedLatticeParameters> 2.2805e+000 3.1505e+000 2.4181e+000 9.0000e+001 1.1004e+002 9.0000e+001 </ReducedLatticeParameters>
2607- <OptimizedLatticeParameters> 2.2805e+000 3.1505e+000 2.4181e+000 9.0000e+001 1.1004e+002 9.0000e+001 </OptimizedLatticeParameters>
2608-
2609- <VolumeOfUnitCell> 1.6321e+001 </VolumeOfUnitCell>
2610- <FigureOfMeritWolff name="M20"> 3.5226e+000 </FigureOfMeritWolff>
2611- <FigureOfMeritWu name="Mwu20"> 3.2429e+000 </FigureOfMeritWu>
2612- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0931e+000 </ReversedFigureOfMeritWolff>
2613- <SymmetricFigureOfMeritWolff name="Msym20"> 7.3731e+000 </SymmetricFigureOfMeritWolff>
2614- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2615- <NumberOfMillerIndicesInRange> 8.2000e+001 </NumberOfMillerIndicesInRange>
2616- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2617- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2618-
2619- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
2620-
2621- <EquivalentLatticeCandidates>
2622- </EquivalentLatticeCandidates>
2623-
2624- </LatticeCandidate>
2625-
2626- <LatticeCandidate number="020905">
2627- <CrystalSystem> Monoclinic(P) </CrystalSystem>
2628-
2629- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2630- <ReducedLatticeParameters> 2.2958e+000 3.1364e+000 2.6474e+000 9.0000e+001 1.0337e+002 9.0000e+001 </ReducedLatticeParameters>
2631- <OptimizedLatticeParameters> 2.2958e+000 3.1364e+000 2.6474e+000 9.0000e+001 1.0337e+002 9.0000e+001 </OptimizedLatticeParameters>
2632-
2633- <VolumeOfUnitCell> 1.8546e+001 </VolumeOfUnitCell>
2634- <FigureOfMeritWolff name="M20"> 3.4642e+000 </FigureOfMeritWolff>
2635- <FigureOfMeritWu name="Mwu20"> 2.9642e+000 </FigureOfMeritWu>
2636- <ReversedFigureOfMeritWolff name="Mrev20"> 2.1078e+000 </ReversedFigureOfMeritWolff>
2637- <SymmetricFigureOfMeritWolff name="Msym20"> 7.3018e+000 </SymmetricFigureOfMeritWolff>
2638- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2639- <NumberOfMillerIndicesInRange> 9.0000e+001 </NumberOfMillerIndicesInRange>
2640- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2641- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2642-
2643- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
2644-
2645- <EquivalentLatticeCandidates>
2646- <LatticeCandidate>
2647- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2648- <LatticeParameters> 2.2524e+000 5.1458e+000 3.1491e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2649- </LatticeCandidate>
2650- <LatticeCandidate>
2651- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2652- <LatticeParameters> 2.1616e+000 6.2982e+000 2.6362e+000 9.0000e+001 1.0258e+002 9.0000e+001 </LatticeParameters>
2653- </LatticeCandidate>
2654- </EquivalentLatticeCandidates>
2655-
2656- </LatticeCandidate>
2657-
2658- <LatticeCandidate number="020910">
2659- <CrystalSystem> Monoclinic(P) </CrystalSystem>
2660-
2661- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2662- <ReducedLatticeParameters> 2.4330e+000 2.4309e+000 3.2951e+000 9.0000e+001 1.0785e+002 9.0000e+001 </ReducedLatticeParameters>
2663- <OptimizedLatticeParameters> 2.4330e+000 2.4309e+000 3.2951e+000 9.0000e+001 1.0785e+002 9.0000e+001 </OptimizedLatticeParameters>
2664-
2665- <VolumeOfUnitCell> 1.8550e+001 </VolumeOfUnitCell>
2666- <FigureOfMeritWolff name="M20"> 3.3497e+000 </FigureOfMeritWolff>
2667- <FigureOfMeritWu name="Mwu20"> 3.5070e+000 </FigureOfMeritWu>
2668- <ReversedFigureOfMeritWolff name="Mrev20"> 1.9920e+000 </ReversedFigureOfMeritWolff>
2669- <SymmetricFigureOfMeritWolff name="Msym20"> 6.6726e+000 </SymmetricFigureOfMeritWolff>
2670- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2671- <NumberOfMillerIndicesInRange> 9.5500e+001 </NumberOfMillerIndicesInRange>
2672- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
2673- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2674-
2675- <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood>
2676-
2677- <EquivalentLatticeCandidates>
2678- </EquivalentLatticeCandidates>
2679-
2680- </LatticeCandidate>
2681-
2682- <LatticeCandidate number="020784">
2683- <CrystalSystem> Monoclinic(P) </CrystalSystem>
2684-
2685- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2686- <ReducedLatticeParameters> 3.2952e+000 2.0539e+000 3.3351e+000 9.0000e+001 1.0974e+002 9.0000e+001 </ReducedLatticeParameters>
2687- <OptimizedLatticeParameters> 3.2952e+000 2.0539e+000 3.3351e+000 9.0000e+001 1.0974e+002 9.0000e+001 </OptimizedLatticeParameters>
2688-
2689- <VolumeOfUnitCell> 2.1245e+001 </VolumeOfUnitCell>
2690- <FigureOfMeritWolff name="M20"> 3.2320e+000 </FigureOfMeritWolff>
2691- <FigureOfMeritWu name="Mwu20"> 3.9204e+000 </FigureOfMeritWu>
2692- <ReversedFigureOfMeritWolff name="Mrev20"> 2.7464e+000 </ReversedFigureOfMeritWolff>
2693- <SymmetricFigureOfMeritWolff name="Msym20"> 8.8765e+000 </SymmetricFigureOfMeritWolff>
2694- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2695- <NumberOfMillerIndicesInRange> 1.1250e+002 </NumberOfMillerIndicesInRange>
2696- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2697- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2698-
2699- <NumberOfLatticesInNeighborhood> 21 </NumberOfLatticesInNeighborhood>
2700-
2701- <EquivalentLatticeCandidates>
2702- <LatticeCandidate>
2703- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2704- <LatticeParameters> 3.8165e+000 5.4305e+000 2.0540e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2705- </LatticeCandidate>
2706- </EquivalentLatticeCandidates>
2707-
2708- </LatticeCandidate>
2709-
2710-
2711-
2712- <!-- Candidates for Triclinic -->
2713-
2714- <LatticeCandidate number="0102261">
2715- <CrystalSystem> Triclinic </CrystalSystem>
2716-
2717- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2718- <ReducedLatticeParameters> 2.0742e+000 2.0977e+000 3.2960e+000 1.0682e+002 9.1051e+001 1.0582e+002 </ReducedLatticeParameters>
2719- <OptimizedLatticeParameters> 2.0977e+000 2.0742e+000 3.3559e+000 7.9139e+001 7.0072e+001 7.4180e+001 </OptimizedLatticeParameters>
2720-
2721- <VolumeOfUnitCell> 1.3134e+001 </VolumeOfUnitCell>
2722- <FigureOfMeritWolff name="M20"> 5.7710e+000 </FigureOfMeritWolff>
2723- <FigureOfMeritWu name="Mwu20"> 6.6050e+000 </FigureOfMeritWu>
2724- <ReversedFigureOfMeritWolff name="Mrev20"> 2.1599e+000 </ReversedFigureOfMeritWolff>
2725- <SymmetricFigureOfMeritWolff name="Msym20"> 1.2465e+001 </SymmetricFigureOfMeritWolff>
2726- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2727- <NumberOfMillerIndicesInRange> 1.1200e+002 </NumberOfMillerIndicesInRange>
2728- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2729- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2730-
2731- <NumberOfLatticesInNeighborhood> 11 </NumberOfLatticesInNeighborhood>
2732-
2733- <EquivalentLatticeCandidates>
2734- <LatticeCandidate>
2735- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2736- <LatticeParameters> 2.0979e+000 6.2828e+000 2.0636e+000 9.0000e+001 1.0578e+002 9.0000e+001 </LatticeParameters>
2737- </LatticeCandidate>
2738- </EquivalentLatticeCandidates>
2739-
2740- </LatticeCandidate>
2741-
2742- <LatticeCandidate number="0102206">
2743- <CrystalSystem> Triclinic </CrystalSystem>
2744-
2745- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2746- <ReducedLatticeParameters> 2.0052e+000 2.3355e+000 3.2911e+000 7.2412e+001 8.5130e+001 7.3393e+001 </ReducedLatticeParameters>
2747- <OptimizedLatticeParameters> 2.0052e+000 2.3355e+000 3.2911e+000 1.0759e+002 8.5130e+001 1.0661e+002 </OptimizedLatticeParameters>
2748-
2749- <VolumeOfUnitCell> 1.4079e+001 </VolumeOfUnitCell>
2750- <FigureOfMeritWolff name="M20"> 4.5323e+000 </FigureOfMeritWolff>
2751- <FigureOfMeritWu name="Mwu20"> 5.2554e+000 </FigureOfMeritWu>
2752- <ReversedFigureOfMeritWolff name="Mrev20"> 1.9566e+000 </ReversedFigureOfMeritWolff>
2753- <SymmetricFigureOfMeritWolff name="Msym20"> 8.8676e+000 </SymmetricFigureOfMeritWolff>
2754- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2755- <NumberOfMillerIndicesInRange> 1.2000e+002 </NumberOfMillerIndicesInRange>
2756- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2757- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2758-
2759- <NumberOfLatticesInNeighborhood> 7 </NumberOfLatticesInNeighborhood>
2760-
2761- <EquivalentLatticeCandidates>
2762- </EquivalentLatticeCandidates>
2763-
2764- </LatticeCandidate>
2765-
2766- <LatticeCandidate number="0102294">
2767- <CrystalSystem> Triclinic </CrystalSystem>
2768-
2769- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2770- <ReducedLatticeParameters> 2.1255e+000 2.3791e+000 2.8183e+000 9.0405e+001 1.0425e+002 1.1036e+002 </ReducedLatticeParameters>
2771- <OptimizedLatticeParameters> 2.1255e+000 2.3791e+000 2.8183e+000 9.0405e+001 1.0425e+002 1.1036e+002 </OptimizedLatticeParameters>
2772-
2773- <VolumeOfUnitCell> 1.2882e+001 </VolumeOfUnitCell>
2774- <FigureOfMeritWolff name="M20"> 4.5200e+000 </FigureOfMeritWolff>
2775- <FigureOfMeritWu name="Mwu20"> 5.3578e+000 </FigureOfMeritWu>
2776- <ReversedFigureOfMeritWolff name="Mrev20"> 2.2301e+000 </ReversedFigureOfMeritWolff>
2777- <SymmetricFigureOfMeritWolff name="Msym20"> 1.0080e+001 </SymmetricFigureOfMeritWolff>
2778- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2779- <NumberOfMillerIndicesInRange> 1.0600e+002 </NumberOfMillerIndicesInRange>
2780- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
2781- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2782-
2783- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
2784-
2785- <EquivalentLatticeCandidates>
2786- </EquivalentLatticeCandidates>
2787-
2788- </LatticeCandidate>
2789-
2790- <LatticeCandidate number="0102216">
2791- <CrystalSystem> Triclinic </CrystalSystem>
2792-
2793- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2794- <ReducedLatticeParameters> 2.0283e+000 2.2928e+000 3.1927e+000 8.0159e+001 8.9475e+001 7.1642e+001 </ReducedLatticeParameters>
2795- <OptimizedLatticeParameters> 2.0283e+000 2.2928e+000 3.1927e+000 9.9841e+001 8.9475e+001 1.0836e+002 </OptimizedLatticeParameters>
2796-
2797- <VolumeOfUnitCell> 1.3868e+001 </VolumeOfUnitCell>
2798- <FigureOfMeritWolff name="M20"> 3.3746e+000 </FigureOfMeritWolff>
2799- <FigureOfMeritWu name="Mwu20"> 3.5706e+000 </FigureOfMeritWu>
2800- <ReversedFigureOfMeritWolff name="Mrev20"> 2.0985e+000 </ReversedFigureOfMeritWolff>
2801- <SymmetricFigureOfMeritWolff name="Msym20"> 7.0816e+000 </SymmetricFigureOfMeritWolff>
2802- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2803- <NumberOfMillerIndicesInRange> 1.1600e+002 </NumberOfMillerIndicesInRange>
2804- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2805- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
2806-
2807- <NumberOfLatticesInNeighborhood> 13 </NumberOfLatticesInNeighborhood>
2808-
2809- <EquivalentLatticeCandidates>
2810- </EquivalentLatticeCandidates>
2811-
2812- </LatticeCandidate>
2813-
2814-
2815- </ConographOutput>
2816-</ZCodeParameters>
--- Conograph/trunk/sample/sample3(TimeOfFlight)/cntl.inp.xml (revision 25)
+++ Conograph/trunk/sample/sample3(TimeOfFlight)/cntl.inp.xml (nonexistent)
@@ -1,12 +0,0 @@
1-<ZCodeParameters>
2- <ConographInputFile>
3- <!-- Control parameters for calculation.-->
4- <ControlParamFile> sample3.inp.xml </ControlParamFile>
5-
6- <!-- Peak-position data.-->
7- <PeakDataFile> sample3_pks.histogramIgor </PeakDataFile>
8-
9- <!-- Output file -->
10- <OutputFile> output/sample3.index.xml </OutputFile>
11- </ConographInputFile>
12-</ZCodeParameters>
--- Conograph/trunk/sample/sample3(TimeOfFlight)/sample3.inp.xml (revision 25)
+++ Conograph/trunk/sample/sample3(TimeOfFlight)/sample3.inp.xml (nonexistent)
@@ -1,123 +0,0 @@
1-<ZCodeParameters>
2- <ConographParameters>
3- <!-- Parameters for the diffractometer.-->
4- <IsAngleDispersion>
5- <!-- 0:time-of-flight, 1:angle dispersion-->
6- 0
7- </IsAngleDispersion>
8-
9- <ConversionParameters>
10- <!-- Conversion parameters for time-of-flight : a polynomial of any degree -->
11- 9.03976 9965.02 5.88424
12- </ConversionParameters>
13-
14- <ZeroPointShiftParameter>
15- <!-- zero point shift parameter for angle dispersion : Z(deg.). -->
16- 0.0
17- </ZeroPointShiftParameter>
18- <WaveLength>
19- <!-- Wave length(angstrom) for angle dispersion. -->
20- 1.81958
21- </WaveLength>
22-
23- <!-- Parameters for search.-->
24- <SearchLevel>
25- <!-- 0:quick search (suitable for unit cells with high symmetries.),
26- 1:regular search (suitable for unit cells with low symmetries.).-->
27- 0
28- </SearchLevel>
29-
30- <MaxNumberOfPeaks>
31- <!-- Number of peaks used for calculation.-->
32- AUTO
33- </MaxNumberOfPeaks>
34-
35- <CriticalValueForLinearSum>
36- <!-- The criterion c to judge if a linear sum of Q equals zero. ( abs(\sigma_i Q_i) <= c * Err<\sigma_i Q_i> ) -->
37- 1.0
38- </CriticalValueForLinearSum>
39-
40- <MinPrimitiveUnitCellVolume>
41- <!-- Lower threshold for the volume of primitive unit-cell (A^3) -->
42- AUTO
43- </MinPrimitiveUnitCellVolume>
44-
45- <MaxPrimitiveUnitCellVolume>
46- <!-- Upper threshold for the volume of primitive unit-cell (A^3) -->
47- AUTO
48- </MaxPrimitiveUnitCellVolume>
49-
50- <MaxNumberOfTwoDimTopographs>
51- <!-- Upper threshold for the number of quadruples (q1,q2,q3,q4) taken from selected topographs.-->
52- AUTO
53- </MaxNumberOfTwoDimTopographs>
54-
55- <MaxNumberOfLatticeCandidates>
56- <!-- Upper threshold for the number of (triclinic) solutions. -->
57- AUTO
58- </MaxNumberOfLatticeCandidates>
59-
60- <!-- Bravais lattice determination -->
61- <!--Output unit cells belonging to the Bravai type? (0:No, 1:Yes)-->
62- <OutputTriclinic> 1 </OutputTriclinic>
63- <OutputMonoclinicP> 1 </OutputMonoclinicP>
64- <OutputMonoclinicB> 1 </OutputMonoclinicB>
65- <OutputOrthorhombicP> 1 </OutputOrthorhombicP>
66- <OutputOrthorhombicC> 1 </OutputOrthorhombicC>
67- <OutputOrthorhombicI> 1 </OutputOrthorhombicI>
68- <OutputOrthorhombicF> 1 </OutputOrthorhombicF>
69- <OutputTetragonalP> 1 </OutputTetragonalP>
70- <OutputTetragonalI> 1 </OutputTetragonalI>
71- <OutputRhombohedral> 1 </OutputRhombohedral>
72- <OutputHexagonal> 1 </OutputHexagonal>
73- <OutputCubicP> 1 </OutputCubicP>
74- <OutputCubicI> 1 </OutputCubicI>
75- <OutputCubicF> 1 </OutputCubicF>
76-
77- <!-- Parameters for output.-->
78- <Resolution>
79- <!-- Relative resolution of d^* = 1/d-values.
80- This value is used for detection of almost identical unit cells.-->
81- 0.03
82- </Resolution>
83-
84- <MaxNumberOfPeaksForFOM>
85- <!-- Number n of peaks used to calculate figures of Merit.-->
86- 20
87- </MaxNumberOfPeaksForFOM>
88-
89- <MinFOM>
90- <!-- Any indexing solution is output if its value of de Wolff figure of merit M_n is greater than the following value.-->
91- 3.0
92- </MinFOM>
93-
94- <!-- Lower and upper thresholds for the number of distinct computed lines hkl within the range of the first-to-n'th observed lines.-->
95- <MinNumberOfMillerIndicesInRange> AUTO </MinNumberOfMillerIndicesInRange>
96- <MaxNumberOfMillerIndicesInRange> AUTO </MaxNumberOfMillerIndicesInRange>
97-
98- <!-- Lower and upper thresholds for the unit cell parameters a, b, c (angstrom).-->
99- <MinUnitCellEdgeABC> 0.0 </MinUnitCellEdgeABC>
100- <MaxUnitCellEdgeABC> 1000.0 </MaxUnitCellEdgeABC>
101-
102- <!-- Configuration parameters.-->
103- <NumberOfThreadsToUse>
104- MAX
105- </NumberOfThreadsToUse>
106- <AxisForRhombohedralSymmetry> <!-- "Rhombohedral" or "Hexagonal" -->
107- Hexagonal
108- </AxisForRhombohedralSymmetry>
109- <AxisForMonoclinicSymmetry> <!-- "A", "B", or "C" -->
110- B
111- </AxisForMonoclinicSymmetry>
112- <ThresholdOnNormM> <!-- Solutions having M^{Wu} less than this value are removed before Bravais lattice determination -->
113- 1.9
114- </ThresholdOnNormM>
115- <ThresholdOnRevM> <!-- Solutions having M^{Rev} less than this value are removed before Bravais lattice determination -->
116- 1.0
117- </ThresholdOnRevM>
118- <MinDistanceBetweenLatticePoints>
119- 2.0
120- </MinDistanceBetweenLatticePoints>
121- </ConographParameters>
122-</ZCodeParameters>
123-
\ No newline at end of file
--- Conograph/trunk/sample/sample5(Synchrotron)/sample5.inp.xml (revision 25)
+++ Conograph/trunk/sample/sample5(Synchrotron)/sample5.inp.xml (nonexistent)
@@ -1,117 +0,0 @@
1-<ZCodeParameters>
2- <ConographParameters>
3- <!-- Parameters for the diffractometer.-->
4- <IsAngleDispersion>
5- <!-- 0:time-of-flight, 1:angle dispersion-->
6- 1
7- </IsAngleDispersion>
8-
9- <ZeroPointShiftParameter>
10- <!-- zero point shift parameter for angle dispersion : Z(deg.). -->
11- 0.0
12- </ZeroPointShiftParameter>
13- <WaveLength>
14- <!-- Wave length(angstrom) for angle dispersion. -->
15- 0.65298
16- </WaveLength>
17-
18- <!-- Parameters for search.-->
19- <SearchLevel>
20- <!-- 0:quick search (suitable for unit cells with high symmetries.),
21- 1:regular search (suitable for unit cells with low symmetries.).-->
22- 1
23- </SearchLevel>
24-
25- <MaxNumberOfPeaks>
26- <!-- Number of peaks used for calculation.-->
27- AUTO
28- </MaxNumberOfPeaks>
29-
30- <CriticalValueForLinearSum>
31- <!-- The criterion c to judge if a linear sum of Q equals zero. ( abs(\sigma_i Q_i) <= c * Err<\sigma_i Q_i> ) -->
32- 1.0
33- </CriticalValueForLinearSum>
34-
35- <MinPrimitiveUnitCellVolume>
36- <!-- Lower threshold for the volume of primitive unit-cell (A^3) -->
37- AUTO
38- </MinPrimitiveUnitCellVolume>
39-
40- <MaxPrimitiveUnitCellVolume>
41- <!-- Upper threshold for the volume of primitive unit-cell (A^3) -->
42- AUTO
43- </MaxPrimitiveUnitCellVolume>
44-
45- <MaxNumberOfTwoDimTopographs>
46- <!-- Upper threshold for the number of quadruples (q1,q2,q3,q4) taken from selected topographs.-->
47- AUTO
48- </MaxNumberOfTwoDimTopographs>
49-
50- <MaxNumberOfLatticeCandidates>
51- <!-- Upper threshold for the number of (triclinic) solutions. -->
52- AUTO
53- </MaxNumberOfLatticeCandidates>
54-
55- <!-- Bravais lattice determination -->
56- <!--Output unit cells belonging to the Bravai type? (0:No, 1:Yes)-->
57- <OutputTriclinic> 1 </OutputTriclinic>
58- <OutputMonoclinicP> 1 </OutputMonoclinicP>
59- <OutputMonoclinicB> 1 </OutputMonoclinicB>
60- <OutputOrthorhombicP> 1 </OutputOrthorhombicP>
61- <OutputOrthorhombicC> 1 </OutputOrthorhombicC>
62- <OutputOrthorhombicI> 1 </OutputOrthorhombicI>
63- <OutputOrthorhombicF> 1 </OutputOrthorhombicF>
64- <OutputTetragonalP> 1 </OutputTetragonalP>
65- <OutputTetragonalI> 1 </OutputTetragonalI>
66- <OutputRhombohedral> 1 </OutputRhombohedral>
67- <OutputHexagonal> 1 </OutputHexagonal>
68- <OutputCubicP> 1 </OutputCubicP>
69- <OutputCubicI> 1 </OutputCubicI>
70- <OutputCubicF> 1 </OutputCubicF>
71-
72- <!-- Parameters for output.-->
73- <Resolution>
74- <!-- Relative resolution of d^* = 1/d-values.
75- This value is used for detection of almost identical unit cells.-->
76- 0.03
77- </Resolution>
78-
79- <MaxNumberOfPeaksForFOM>
80- <!-- Number n of peaks used to calculate figures of Merit.-->
81- 20
82- </MaxNumberOfPeaksForFOM>
83-
84- <MinFOM>
85- <!-- Any indexing solution is output if its value of de Wolff figure of merit M_n is greater than the following value.-->
86- 3.0
87- </MinFOM>
88-
89- <!-- Lower and upper thresholds for the number of distinct computed lines hkl within the range of the first-to-n'th observed lines.-->
90- <MinNumberOfMillerIndicesInRange> AUTO </MinNumberOfMillerIndicesInRange>
91- <MaxNumberOfMillerIndicesInRange> AUTO </MaxNumberOfMillerIndicesInRange>
92-
93- <!-- Lower and upper thresholds for the unit cell parameters a, b, c (angstrom).-->
94- <MinUnitCellEdgeABC> 0.0 </MinUnitCellEdgeABC>
95- <MaxUnitCellEdgeABC> 1000.0 </MaxUnitCellEdgeABC>
96-
97- <!-- Configuration parameters.-->
98- <NumberOfThreadsToUse>
99- MAX
100- </NumberOfThreadsToUse>
101- <AxisForRhombohedralSymmetry> <!-- "Rhombohedral" or "Hexagonal" -->
102- Hexagonal
103- </AxisForRhombohedralSymmetry>
104- <AxisForMonoclinicSymmetry> <!-- "A", "B", or "C" -->
105- B
106- </AxisForMonoclinicSymmetry>
107- <ThresholdOnNormM> <!-- Solutions having M^{Wu} less than this value are removed before Bravais lattice determination -->
108- 1.9
109- </ThresholdOnNormM>
110- <ThresholdOnRevM> <!-- Solutions having M^{Rev} less than this value are removed before Bravais lattice determination -->
111- 1.0
112- </ThresholdOnRevM>
113- <MinDistanceBetweenLatticePoints>
114- 2.0
115- </MinDistanceBetweenLatticePoints>
116- </ConographParameters>
117-</ZCodeParameters>
--- Conograph/trunk/sample/sample5(Synchrotron)/cntl.inp.xml (revision 25)
+++ Conograph/trunk/sample/sample5(Synchrotron)/cntl.inp.xml (nonexistent)
@@ -1,12 +0,0 @@
1-<ZCodeParameters>
2- <ConographInputFile>
3- <!-- Control parameters for calculation.-->
4- <ControlParamFile> sample5.inp.xml </ControlParamFile>
5-
6- <!-- Peak-position data.-->
7- <PeakDataFile> sample5_pks.histogramIgor </PeakDataFile>
8-
9- <!-- Output file -->
10- <OutputFile> output/sample5.index.xml </OutputFile>
11- </ConographInputFile>
12-</ZCodeParameters>
--- Conograph/trunk/sample/sample6(Synchrotron)/sample6.inp.xml (revision 25)
+++ Conograph/trunk/sample/sample6(Synchrotron)/sample6.inp.xml (nonexistent)
@@ -1,117 +0,0 @@
1-<ZCodeParameters>
2- <ConographParameters>
3- <!-- Parameters for the diffractometer.-->
4- <IsAngleDispersion>
5- <!-- 0:time-of-flight, 1:angle dispersion-->
6- 1
7- </IsAngleDispersion>
8-
9- <ZeroPointShiftParameter>
10- <!-- zero point shift parameter for angle dispersion : Z(deg.). -->
11- 0.0
12- </ZeroPointShiftParameter>
13- <WaveLength>
14- <!-- Wave length(angstrom) for angle dispersion. -->
15- 0.79776
16- </WaveLength>
17-
18- <!-- Parameters for search.-->
19- <SearchLevel>
20- <!-- 0:quick search (suitable for unit cells with high symmetries.),
21- 1:regular search (suitable for unit cells with low symmetries.).-->
22- 1
23- </SearchLevel>
24-
25- <MaxNumberOfPeaks>
26- <!-- Number of peaks used for calculation.-->
27- AUTO
28- </MaxNumberOfPeaks>
29-
30- <CriticalValueForLinearSum>
31- <!-- The criterion c to judge if a linear sum of Q equals zero. ( abs(\sigma_i Q_i) <= c * Err<\sigma_i Q_i> ) -->
32- 1.0
33- </CriticalValueForLinearSum>
34-
35- <MinPrimitiveUnitCellVolume>
36- <!-- Lower threshold for the volume of primitive unit-cell (A^3) -->
37- AUTO
38- </MinPrimitiveUnitCellVolume>
39-
40- <MaxPrimitiveUnitCellVolume>
41- <!-- Upper threshold for the volume of primitive unit-cell (A^3) -->
42- AUTO
43- </MaxPrimitiveUnitCellVolume>
44-
45- <MaxNumberOfTwoDimTopographs>
46- <!-- Upper threshold for the number of quadruples (q1,q2,q3,q4) taken from selected topographs.-->
47- AUTO
48- </MaxNumberOfTwoDimTopographs>
49-
50- <MaxNumberOfLatticeCandidates>
51- <!-- Upper threshold for the number of (triclinic) solutions. -->
52- AUTO
53- </MaxNumberOfLatticeCandidates>
54-
55- <!-- Bravais lattice determination -->
56- <!--Output unit cells belonging to the Bravai type? (0:No, 1:Yes)-->
57- <OutputTriclinic> 1 </OutputTriclinic>
58- <OutputMonoclinicP> 1 </OutputMonoclinicP>
59- <OutputMonoclinicB> 1 </OutputMonoclinicB>
60- <OutputOrthorhombicP> 1 </OutputOrthorhombicP>
61- <OutputOrthorhombicC> 1 </OutputOrthorhombicC>
62- <OutputOrthorhombicI> 1 </OutputOrthorhombicI>
63- <OutputOrthorhombicF> 1 </OutputOrthorhombicF>
64- <OutputTetragonalP> 1 </OutputTetragonalP>
65- <OutputTetragonalI> 1 </OutputTetragonalI>
66- <OutputRhombohedral> 1 </OutputRhombohedral>
67- <OutputHexagonal> 1 </OutputHexagonal>
68- <OutputCubicP> 1 </OutputCubicP>
69- <OutputCubicI> 1 </OutputCubicI>
70- <OutputCubicF> 1 </OutputCubicF>
71-
72- <!-- Parameters for output.-->
73- <Resolution>
74- <!-- Relative resolution of d^* = 1/d-values.
75- This value is used for detection of almost identical unit cells.-->
76- 0.03
77- </Resolution>
78-
79- <MaxNumberOfPeaksForFOM>
80- <!-- Number n of peaks used to calculate figures of Merit.-->
81- 30
82- </MaxNumberOfPeaksForFOM>
83-
84- <MinFOM>
85- <!-- Any indexing solution is output if its value of de Wolff figure of merit M_n is greater than the following value.-->
86- 3.0
87- </MinFOM>
88-
89- <!-- Lower and upper thresholds for the number of distinct computed lines hkl within the range of the first-to-n'th observed lines.-->
90- <MinNumberOfMillerIndicesInRange> AUTO </MinNumberOfMillerIndicesInRange>
91- <MaxNumberOfMillerIndicesInRange> AUTO </MaxNumberOfMillerIndicesInRange>
92-
93- <!-- Lower and upper thresholds for the unit cell parameters a, b, c (angstrom).-->
94- <MinUnitCellEdgeABC> 0.0 </MinUnitCellEdgeABC>
95- <MaxUnitCellEdgeABC> 1000.0 </MaxUnitCellEdgeABC>
96-
97- <!-- Configuration parameters.-->
98- <NumberOfThreadsToUse>
99- MAX
100- </NumberOfThreadsToUse>
101- <AxisForRhombohedralSymmetry> <!-- "Rhombohedral" or "Hexagonal" -->
102- Hexagonal
103- </AxisForRhombohedralSymmetry>
104- <AxisForMonoclinicSymmetry> <!-- "A", "B", or "C" -->
105- B
106- </AxisForMonoclinicSymmetry>
107- <ThresholdOnNormM> <!-- Solutions having M^{Wu} less than this value are removed before Bravais lattice determination -->
108- 1.9
109- </ThresholdOnNormM>
110- <ThresholdOnRevM> <!-- Solutions having M^{Rev} less than this value are removed before Bravais lattice determination -->
111- 1.0
112- </ThresholdOnRevM>
113- <MinDistanceBetweenLatticePoints>
114- 2.0
115- </MinDistanceBetweenLatticePoints>
116- </ConographParameters>
117-</ZCodeParameters>
--- Conograph/trunk/sample/sample6(Synchrotron)/cntl.inp.xml (revision 25)
+++ Conograph/trunk/sample/sample6(Synchrotron)/cntl.inp.xml (nonexistent)
@@ -1,12 +0,0 @@
1-<ZCodeParameters>
2- <ConographInputFile>
3- <!-- Control parameters for calculation.-->
4- <ControlParamFile> sample6.inp.xml </ControlParamFile>
5-
6- <!-- Peak-position data.-->
7- <PeakDataFile> sample6_pks.histogramIgor </PeakDataFile>
8-
9- <!-- Output file -->
10- <OutputFile> output/sample6.index.xml </OutputFile>
11- </ConographInputFile>
12-</ZCodeParameters>
--- Conograph/trunk/sample/sample7(TimeOfFlight)/cntl.inp.xml (revision 25)
+++ Conograph/trunk/sample/sample7(TimeOfFlight)/cntl.inp.xml (nonexistent)
@@ -1,12 +0,0 @@
1-<ZCodeParameters>
2- <ConographInputFile>
3- <!-- Control parameters for calculation.-->
4- <ControlParamFile> sample7.inp.xml </ControlParamFile>
5-
6- <!-- Peak-position data.-->
7- <PeakDataFile> sample7_pks.histogramIgor </PeakDataFile>
8-
9- <!-- Output file -->
10- <OutputFile> output/sample7.index.xml </OutputFile>
11- </ConographInputFile>
12-</ZCodeParameters>
--- Conograph/trunk/sample/sample7(TimeOfFlight)/sample7.inp.xml (revision 25)
+++ Conograph/trunk/sample/sample7(TimeOfFlight)/sample7.inp.xml (nonexistent)
@@ -1,123 +0,0 @@
1-<ZCodeParameters>
2- <ConographParameters>
3- <!-- Parameters for the diffractometer.-->
4- <IsAngleDispersion>
5- <!-- 0:time-of-flight, 1:angle dispersion-->
6- 0
7- </IsAngleDispersion>
8-
9- <ConversionParameters>
10- <!-- Conversion parameters for time-of-flight : a polynomial of any degree -->
11- -4.778161 48517.765894 -2.729405
12- </ConversionParameters>
13-
14- <ZeroPointShiftParameter>
15- <!-- zero point shift parameter for angle dispersion : Z(deg.). -->
16- 0.0
17- </ZeroPointShiftParameter>
18- <WaveLength>
19- <!-- Wave length(angstrom) for angle dispersion. -->
20- 1.81958
21- </WaveLength>
22-
23- <!-- Parameters for search.-->
24- <SearchLevel>
25- <!-- 0:quick search (suitable for unit cells with high symmetries.),
26- 1:regular search (suitable for unit cells with low symmetries.).-->
27- 1
28- </SearchLevel>
29-
30- <MaxNumberOfPeaks>
31- <!-- Number of peaks used for calculation.-->
32- AUTO
33- </MaxNumberOfPeaks>
34-
35- <CriticalValueForLinearSum>
36- <!-- The criterion c to judge if a linear sum of Q equals zero. ( abs(\sigma_i Q_i) <= c * Err<\sigma_i Q_i> ) -->
37- 1.0
38- </CriticalValueForLinearSum>
39-
40- <MinPrimitiveUnitCellVolume>
41- <!-- Lower threshold for the volume of primitive unit-cell (A^3) -->
42- AUTO
43- </MinPrimitiveUnitCellVolume>
44-
45- <MaxPrimitiveUnitCellVolume>
46- <!-- Upper threshold for the volume of primitive unit-cell (A^3) -->
47- AUTO
48- </MaxPrimitiveUnitCellVolume>
49-
50- <MaxNumberOfTwoDimTopographs>
51- <!-- Upper threshold for the number of quadruples (q1,q2,q3,q4) taken from selected topographs.-->
52- AUTO
53- </MaxNumberOfTwoDimTopographs>
54-
55- <MaxNumberOfLatticeCandidates>
56- <!-- Upper threshold for the number of (triclinic) solutions. -->
57- AUTO
58- </MaxNumberOfLatticeCandidates>
59-
60- <!-- Bravais lattice determination -->
61- <!--Output unit cells belonging to the Bravai type? (0:No, 1:Yes)-->
62- <OutputTriclinic> 1 </OutputTriclinic>
63- <OutputMonoclinicP> 1 </OutputMonoclinicP>
64- <OutputMonoclinicB> 1 </OutputMonoclinicB>
65- <OutputOrthorhombicP> 1 </OutputOrthorhombicP>
66- <OutputOrthorhombicC> 1 </OutputOrthorhombicC>
67- <OutputOrthorhombicI> 1 </OutputOrthorhombicI>
68- <OutputOrthorhombicF> 1 </OutputOrthorhombicF>
69- <OutputTetragonalP> 1 </OutputTetragonalP>
70- <OutputTetragonalI> 1 </OutputTetragonalI>
71- <OutputRhombohedral> 1 </OutputRhombohedral>
72- <OutputHexagonal> 1 </OutputHexagonal>
73- <OutputCubicP> 1 </OutputCubicP>
74- <OutputCubicI> 1 </OutputCubicI>
75- <OutputCubicF> 1 </OutputCubicF>
76-
77- <!-- Parameters for output.-->
78- <Resolution>
79- <!-- Relative resolution of d^* = 1/d-values.
80- This value is used for detection of almost identical unit cells.-->
81- 0.03
82- </Resolution>
83-
84- <MaxNumberOfPeaksForFOM>
85- <!-- Number n of peaks used to calculate figures of Merit.-->
86- 20
87- </MaxNumberOfPeaksForFOM>
88-
89- <MinFOM>
90- <!-- Any indexing solution is output if its value of de Wolff figure of merit M_n is greater than the following value.-->
91- 3.0
92- </MinFOM>
93-
94- <!-- Lower and upper thresholds for the number of distinct computed lines hkl within the range of the first-to-n'th observed lines.-->
95- <MinNumberOfMillerIndicesInRange> AUTO </MinNumberOfMillerIndicesInRange>
96- <MaxNumberOfMillerIndicesInRange> AUTO </MaxNumberOfMillerIndicesInRange>
97-
98- <!-- Lower and upper thresholds for the unit cell parameters a, b, c (angstrom).-->
99- <MinUnitCellEdgeABC> 0.0 </MinUnitCellEdgeABC>
100- <MaxUnitCellEdgeABC> 1000.0 </MaxUnitCellEdgeABC>
101-
102- <!-- Configuration parameters.-->
103- <NumberOfThreadsToUse>
104- MAX
105- </NumberOfThreadsToUse>
106- <AxisForRhombohedralSymmetry> <!-- "Rhombohedral" or "Hexagonal" -->
107- Hexagonal
108- </AxisForRhombohedralSymmetry>
109- <AxisForMonoclinicSymmetry> <!-- "A", "B", or "C" -->
110- B
111- </AxisForMonoclinicSymmetry>
112- <ThresholdOnNormM> <!-- Solutions having M^{Wu} less than this value are removed before Bravais lattice determination -->
113- 1.9
114- </ThresholdOnNormM>
115- <ThresholdOnRevM> <!-- Solutions having M^{Rev} less than this value are removed before Bravais lattice determination -->
116- 1.0
117- </ThresholdOnRevM>
118- <MinDistanceBetweenLatticePoints>
119- 2.0
120- </MinDistanceBetweenLatticePoints>
121- </ConographParameters>
122-</ZCodeParameters>
123-
\ No newline at end of file
--- Conograph/trunk/sample/sample7(TimeOfFlight)/output/sample7.index.xml (revision 25)
+++ Conograph/trunk/sample/sample7(TimeOfFlight)/output/sample7.index.xml (nonexistent)
@@ -1,26142 +0,0 @@
1-<?xml version="1.0" encoding="UTF-8" ?>
2-<ZCodeParameters>
3- <ConographOutput>
4- <!-- Information on the best M solution for each Bravais type.
5- TNB : total number of solutions of the Bravais types,
6- M : de Wolff figure of merit,
7- Mwu : Wu figure of merit,
8- Mrev : reversed de Wolff figure of merit,
9- Msym : symmetric de Wolff figure of merit,
10- NN : number of lattices in the neighborhood,
11- VOL : unit-cell volume.
12- Bravais Lattice : TNB, M, Mwu, Mrev, Msym, NN, VOL
13- Cubic(F) : 0
14- Cubic(I) : 0
15- Cubic(P) : 0
16- Hexagonal : 0
17- Rhombohedral : 1 3.0005e+000 2.2887e+000 1.5494e+000 4.6490e+000 9 9.6347e+003
18- Tetragonal(I) : 0
19- Tetragonal(P) : 0
20- Orthorhombic(F) : 3 3.2590e+000 2.8266e+000 1.7964e+000 5.8545e+000 11 1.2554e+004
21- Orthorhombic(I) : 0
22- Orthorhombic(C) : 2 3.1948e+000 2.7528e+000 2.4939e+000 7.9675e+000 1 1.9184e+003
23- Orthorhombic(P) : 2 3.1050e+000 3.1954e+000 2.1416e+000 6.6496e+000 1 1.3357e+003
24- Monoclinic(B) : 21 4.2346e+000 3.4908e+000 2.5311e+000 1.0718e+001 0 1.6235e+003
25- Monoclinic(P) : 11 2.7514e+002 2.0636e+002 3.8134e+000 1.0492e+003 16 8.1561e+002
26- Triclinic : 738 2.2124e+002 2.7497e+002 6.0387e+000 1.3360e+003 16 8.1563e+002
27- -->
28-
29- <!-- Labels of the solution with the best figure of merit.
30- Cubic(F), Best Score : Lattice constants, label.
31- M = - - : - -
32- Mwu = - - : - -
33- Mrev = - - : - -
34- Msym = - - : - -
35- NN = - - : - -
36-
37- Cubic(I), Best Score : Lattice constants, label.
38- M = - - : - -
39- Mwu = - - : - -
40- Mrev = - - : - -
41- Msym = - - : - -
42- NN = - - : - -
43-
44- Cubic(P), Best Score : Lattice constants, label.
45- M = - - : - -
46- Mwu = - - : - -
47- Mrev = - - : - -
48- Msym = - - : - -
49- NN = - - : - -
50-
51- Hexagonal, Best Score : Lattice constants, label.
52- M = - - : - -
53- Mwu = - - : - -
54- Mrev = - - : - -
55- Msym = - - : - -
56- NN = - - : - -
57-
58- Rhombohedral, Best Score : Lattice constants, label.
59- M = 3.0005e+000 : 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 1006000
60- Mwu = 2.2887e+000 : 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 1006000
61- Mrev = 1.5494e+000 : 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 1006000
62- Msym = 4.6490e+000 : 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 1006000
63- NN = 9 : 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 1006000
64-
65- Tetragonal(I), Best Score : Lattice constants, label.
66- M = - - : - -
67- Mwu = - - : - -
68- Mrev = - - : - -
69- Msym = - - : - -
70- NN = - - : - -
71-
72- Tetragonal(P), Best Score : Lattice constants, label.
73- M = - - : - -
74- Mwu = - - : - -
75- Mrev = - - : - -
76- Msym = - - : - -
77- NN = - - : - -
78-
79- Orthorhombic(F), Best Score : Lattice constants, label.
80- M = 3.2590e+000 : 2.1201e+001 2.1897e+001 2.7044e+001 9.0000e+001 9.0000e+001 9.0000e+001 0702278
81- Mwu = 2.9146e+000 : 1.0080e+001 1.0257e+001 8.8763e+001 9.0000e+001 9.0000e+001 9.0000e+001 0703052
82- Mrev = 1.8249e+000 : 4.2412e+000 3.1577e+001 3.9316e+001 9.0000e+001 9.0000e+001 9.0000e+001 0704764
83- Msym = 5.8545e+000 : 2.1201e+001 2.1897e+001 2.7044e+001 9.0000e+001 9.0000e+001 9.0000e+001 0702278
84- NN = 11 : 2.1201e+001 2.1897e+001 2.7044e+001 9.0000e+001 9.0000e+001 9.0000e+001 0702278
85-
86- Orthorhombic(I), Best Score : Lattice constants, label.
87- M = - - : - -
88- Mwu = - - : - -
89- Mrev = - - : - -
90- Msym = - - : - -
91- NN = - - : - -
92-
93- Orthorhombic(C), Best Score : Lattice constants, label.
94- M = 3.1948e+000 : 3.4455e+000 3.0447e+001 1.8287e+001 9.0000e+001 9.0000e+001 9.0000e+001 0501161
95- Mwu = 2.7528e+000 : 3.4455e+000 3.0447e+001 1.8287e+001 9.0000e+001 9.0000e+001 9.0000e+001 0501161
96- Mrev = 3.0194e+000 : 3.5729e+000 1.6671e+001 2.4610e+001 9.0000e+001 9.0000e+001 9.0000e+001 0501271
97- Msym = 9.2104e+000 : 3.5729e+000 1.6671e+001 2.4610e+001 9.0000e+001 9.0000e+001 9.0000e+001 0501271
98- NN = 14 : 3.5732e+000 1.6669e+001 2.4598e+001 9.0000e+001 9.0000e+001 9.0000e+001 0501273
99-
100- Orthorhombic(P), Best Score : Lattice constants, label.
101- M = 3.1050e+000 : 4.7711e+000 1.5211e+001 1.8405e+001 9.0000e+001 9.0000e+001 9.0000e+001 0402932
102- Mwu = 3.1954e+000 : 4.7711e+000 1.5211e+001 1.8405e+001 9.0000e+001 9.0000e+001 9.0000e+001 0402932
103- Mrev = 2.4237e+000 : 3.0761e+000 1.5094e+001 3.7493e+001 9.0000e+001 9.0000e+001 9.0000e+001 0402442
104- Msym = 7.2737e+000 : 3.0761e+000 1.5094e+001 3.7493e+001 9.0000e+001 9.0000e+001 9.0000e+001 0402442
105- NN = 3 : 3.0761e+000 1.5094e+001 3.7493e+001 9.0000e+001 9.0000e+001 9.0000e+001 0402442
106-
107- Monoclinic(B), Best Score : Lattice constants, label.
108- M = 4.2346e+000 : 3.0150e+001 2.8469e+000 2.4045e+001 9.0000e+001 1.2813e+002 9.0000e+001 03047843
109- Mwu = 3.4908e+000 : 3.0150e+001 2.8469e+000 2.4045e+001 9.0000e+001 1.2813e+002 9.0000e+001 03047843
110- Mrev = 3.2627e+000 : 4.6110e+000 5.4744e+001 3.6481e+000 9.0000e+001 1.2500e+002 9.0000e+001 03064717
111- Msym = 1.1210e+001 : 4.6313e+000 5.4745e+001 3.6630e+000 9.0000e+001 1.2533e+002 9.0000e+001 03064601
112- NN = 44 : 4.6268e+000 5.4750e+001 3.6595e+000 9.0000e+001 1.2526e+002 9.0000e+001 03064626
113-
114- Monoclinic(P), Best Score : Lattice constants, label.
115- M = 2.7514e+002 : 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 02015609
116- Mwu = 2.0636e+002 : 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 02015609
117- Mrev = 3.8134e+000 : 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 02015609
118- Msym = 1.0492e+003 : 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 02015609
119- NN = 16 : 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 02015609
120-
121- Triclinic, Best Score : Lattice constants, label.
122- M = 2.2124e+002 : 8.8192e+000 9.7563e+000 9.7825e+000 9.0000e+001 7.5698e+001 8.9997e+001 0108579
123- Mwu = 2.7497e+002 : 8.8192e+000 9.7563e+000 9.7825e+000 9.0000e+001 7.5698e+001 8.9997e+001 0108579
124- Mrev = 6.1732e+000 : 8.8189e+000 9.7561e+000 9.7826e+000 8.9998e+001 7.5698e+001 8.9997e+001 0108583
125- Msym = 1.3360e+003 : 8.8192e+000 9.7563e+000 9.7825e+000 9.0000e+001 7.5698e+001 8.9997e+001 0108579
126- NN = 159 : 3.2727e+000 7.5213e+000 4.7578e+001 8.6685e+001 8.9000e+001 8.8867e+001 0105852
127-
128- -->
129-
130- <!-- Information on the selected candidates.-->
131- <SelectedLatticeCandidate number="02015609">
132- <CrystalSystem> Monoclinic(P) </CrystalSystem>
133-
134- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
135- <ReducedLatticeParameters> 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 </ReducedLatticeParameters>
136- <OptimizedLatticeParameters> 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 </OptimizedLatticeParameters>
137-
138- <VolumeOfUnitCell> 8.1561e+002 </VolumeOfUnitCell>
139- <FigureOfMeritWolff name="M20"> 2.7514e+002 </FigureOfMeritWolff>
140- <FigureOfMeritWu name="Mwu20"> 2.0636e+002 </FigureOfMeritWu>
141- <ReversedFigureOfMeritWolff name="Mrev20"> 3.8134e+000 </ReversedFigureOfMeritWolff>
142- <SymmetricFigureOfMeritWolff name="Msym20"> 1.0492e+003 </SymmetricFigureOfMeritWolff>
143- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
144- <NumberOfMillerIndicesInRange> 2.6500e+001 </NumberOfMillerIndicesInRange>
145- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
146- <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone>
147-
148- <NumberOfLatticesInNeighborhood> 16 </NumberOfLatticesInNeighborhood>
149-
150- <EquivalentLatticeCandidates>
151- </EquivalentLatticeCandidates>
152-
153- </SelectedLatticeCandidate>
154-
155-
156- <!-- Candidates for Cubic(F) -->
157-
158-
159-
160- <!-- Candidates for Cubic(I) -->
161-
162-
163-
164- <!-- Candidates for Cubic(P) -->
165-
166-
167-
168- <!-- Candidates for Hexagonal -->
169-
170-
171-
172- <!-- Candidates for Rhombohedral -->
173-
174- <LatticeCandidate number="1006000">
175- <CrystalSystem> Rhombohedral </CrystalSystem>
176-
177- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
178- <ReducedLatticeParameters axis="Rhombohedral"> 2.9674e+001 2.9674e+001 2.9674e+001 1.1978e+002 1.1978e+002 1.1978e+002 </ReducedLatticeParameters>
179- <ReducedLatticeParameters axis="Hexagonal"> 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 </ReducedLatticeParameters>
180-
181- <OptimizedLatticeParameters> 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 </OptimizedLatticeParameters>
182-
183- <VolumeOfUnitCell axis="Hexagonal"> 9.6347e+003 </VolumeOfUnitCell>
184- <FigureOfMeritWolff name="M20"> 3.0005e+000 </FigureOfMeritWolff>
185- <FigureOfMeritWu name="Mwu20"> 2.2887e+000 </FigureOfMeritWu>
186- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5494e+000 </ReversedFigureOfMeritWolff>
187- <SymmetricFigureOfMeritWolff name="Msym20"> 4.6490e+000 </SymmetricFigureOfMeritWolff>
188- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
189- <NumberOfMillerIndicesInRange> 4.1167e+001 </NumberOfMillerIndicesInRange>
190- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
191- <NumberOfPeaksNecessaryToResolveDominantZone> 20 </NumberOfPeaksNecessaryToResolveDominantZone>
192-
193- <NumberOfLatticesInNeighborhood> 9 </NumberOfLatticesInNeighborhood>
194-
195- <EquivalentLatticeCandidates>
196- <LatticeCandidate>
197- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
198- <LatticeParameters> 4.2192e+000 2.9626e+001 5.1313e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
199- </LatticeCandidate>
200- <LatticeCandidate>
201- <CrystalSystem> Monoclinic(B) </CrystalSystem>
202- <LatticeParameters> 5.1487e+001 2.9626e+001 4.2192e+000 9.0000e+001 9.4701e+001 9.0000e+001 </LatticeParameters>
203- </LatticeCandidate>
204- <LatticeCandidate>
205- <CrystalSystem> Monoclinic(B) </CrystalSystem>
206- <LatticeParameters> 5.9252e+001 4.2192e+000 2.9626e+001 9.0000e+001 1.2000e+002 9.0000e+001 </LatticeParameters>
207- </LatticeCandidate>
208- <LatticeCandidate>
209- <CrystalSystem> Monoclinic(B) </CrystalSystem>
210- <LatticeParameters> 2.9659e+001 5.1313e+001 4.2097e+000 9.0000e+001 9.2712e+001 9.0000e+001 </LatticeParameters>
211- </LatticeCandidate>
212- <LatticeCandidate>
213- <CrystalSystem> Monoclinic(B) </CrystalSystem>
214- <LatticeParameters> 2.9759e+001 5.1313e+001 4.2240e+000 9.0000e+001 9.5430e+001 9.0000e+001 </LatticeParameters>
215- </LatticeCandidate>
216- <LatticeCandidate>
217- <CrystalSystem> Triclinic </CrystalSystem>
218- <LatticeParameters> 4.2240e+000 2.9659e+001 2.9659e+001 1.1978e+002 9.2721e+001 9.2721e+001 </LatticeParameters>
219- </LatticeCandidate>
220- </EquivalentLatticeCandidates>
221-
222- </LatticeCandidate>
223-
224-
225-
226- <!-- Candidates for Tetragonal(I) -->
227-
228-
229-
230- <!-- Candidates for Tetragonal(P) -->
231-
232-
233-
234- <!-- Candidates for Orthorhombic(F) -->
235-
236- <LatticeCandidate number="0702278">
237- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
238-
239- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
240- <ReducedLatticeParameters> 2.1201e+001 2.1897e+001 2.7044e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
241- <OptimizedLatticeParameters> 2.1201e+001 2.1897e+001 2.7044e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
242-
243- <VolumeOfUnitCell> 1.2554e+004 </VolumeOfUnitCell>
244- <FigureOfMeritWolff name="M20"> 3.2590e+000 </FigureOfMeritWolff>
245- <FigureOfMeritWu name="Mwu20"> 2.8266e+000 </FigureOfMeritWu>
246- <ReversedFigureOfMeritWolff name="Mrev20"> 1.7964e+000 </ReversedFigureOfMeritWolff>
247- <SymmetricFigureOfMeritWolff name="Msym20"> 5.8545e+000 </SymmetricFigureOfMeritWolff>
248- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
249- <NumberOfMillerIndicesInRange> 5.4250e+001 </NumberOfMillerIndicesInRange>
250- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
251- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
252-
253- <NumberOfLatticesInNeighborhood> 11 </NumberOfLatticesInNeighborhood>
254-
255- <EquivalentLatticeCandidates>
256- <LatticeCandidate>
257- <CrystalSystem> Rhombohedral </CrystalSystem>
258- <LatticeParameters> 2.6865e+001 2.6865e+001 1.4305e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
259- </LatticeCandidate>
260- <LatticeCandidate>
261- <CrystalSystem> Rhombohedral </CrystalSystem>
262- <LatticeParameters> 2.6865e+001 2.6865e+001 1.4599e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
263- </LatticeCandidate>
264- <LatticeCandidate>
265- <CrystalSystem> Rhombohedral </CrystalSystem>
266- <LatticeParameters> 2.2595e+001 2.2595e+001 1.7256e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
267- </LatticeCandidate>
268- <LatticeCandidate>
269- <CrystalSystem> Rhombohedral </CrystalSystem>
270- <LatticeParameters> 2.2595e+001 2.2595e+001 1.5232e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
271- </LatticeCandidate>
272- <LatticeCandidate>
273- <CrystalSystem> Rhombohedral </CrystalSystem>
274- <LatticeParameters> 2.3178e+001 2.3178e+001 1.7092e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
275- </LatticeCandidate>
276- <LatticeCandidate>
277- <CrystalSystem> Rhombohedral </CrystalSystem>
278- <LatticeParameters> 2.3178e+001 2.3178e+001 1.4793e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
279- </LatticeCandidate>
280- <LatticeCandidate>
281- <CrystalSystem> Rhombohedral </CrystalSystem>
282- <LatticeParameters> 1.6459e+001 1.6459e+001 3.9809e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
283- </LatticeCandidate>
284- <LatticeCandidate>
285- <CrystalSystem> Rhombohedral </CrystalSystem>
286- <LatticeParameters> 1.6624e+001 1.6624e+001 3.9809e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
287- </LatticeCandidate>
288- <LatticeCandidate>
289- <CrystalSystem> Rhombohedral </CrystalSystem>
290- <LatticeParameters> 1.5717e+001 1.5717e+001 3.9809e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
291- </LatticeCandidate>
292- <LatticeCandidate>
293- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
294- <LatticeParameters> 1.6674e+001 1.6674e+001 2.1915e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
295- </LatticeCandidate>
296- <LatticeCandidate>
297- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
298- <LatticeParameters> 1.5231e+001 1.5231e+001 2.7033e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
299- </LatticeCandidate>
300- <LatticeCandidate>
301- <CrystalSystem> Monoclinic(B) </CrystalSystem>
302- <LatticeParameters> 3.1028e+001 1.5231e+001 1.5231e+001 9.0000e+001 1.1940e+002 9.0000e+001 </LatticeParameters>
303- </LatticeCandidate>
304- <LatticeCandidate>
305- <CrystalSystem> Monoclinic(B) </CrystalSystem>
306- <LatticeParameters> 1.7249e+001 2.6540e+001 1.4757e+001 9.0000e+001 1.1595e+002 9.0000e+001 </LatticeParameters>
307- </LatticeCandidate>
308- <LatticeCandidate>
309- <CrystalSystem> Monoclinic(B) </CrystalSystem>
310- <LatticeParameters> 1.6984e+001 2.6540e+001 1.4531e+001 9.0000e+001 1.1404e+002 9.0000e+001 </LatticeParameters>
311- </LatticeCandidate>
312- <LatticeCandidate>
313- <CrystalSystem> Monoclinic(B) </CrystalSystem>
314- <LatticeParameters> 2.7177e+001 1.7024e+001 1.7024e+001 9.0000e+001 1.2879e+002 9.0000e+001 </LatticeParameters>
315- </LatticeCandidate>
316- <LatticeCandidate>
317- <CrystalSystem> Monoclinic(B) </CrystalSystem>
318- <LatticeParameters> 2.1184e+001 2.1915e+001 1.7172e+001 9.0000e+001 1.2808e+002 9.0000e+001 </LatticeParameters>
319- </LatticeCandidate>
320- <LatticeCandidate>
321- <CrystalSystem> Monoclinic(B) </CrystalSystem>
322- <LatticeParameters> 2.7537e+001 1.6674e+001 1.6674e+001 9.0000e+001 1.2727e+002 9.0000e+001 </LatticeParameters>
323- </LatticeCandidate>
324- <LatticeCandidate>
325- <CrystalSystem> Monoclinic(B) </CrystalSystem>
326- <LatticeParameters> 2.1915e+001 2.1184e+001 1.7400e+001 9.0000e+001 1.2903e+002 9.0000e+001 </LatticeParameters>
327- </LatticeCandidate>
328- <LatticeCandidate>
329- <CrystalSystem> Monoclinic(B) </CrystalSystem>
330- <LatticeParameters> 2.1184e+001 2.7033e+001 1.5240e+001 9.0000e+001 1.3403e+002 9.0000e+001 </LatticeParameters>
331- </LatticeCandidate>
332- <LatticeCandidate>
333- <CrystalSystem> Monoclinic(B) </CrystalSystem>
334- <LatticeParameters> 1.5238e+001 2.6540e+001 1.5110e+001 9.0000e+001 1.1857e+002 9.0000e+001 </LatticeParameters>
335- </LatticeCandidate>
336- <LatticeCandidate>
337- <CrystalSystem> Triclinic </CrystalSystem>
338- <LatticeParameters> 1.5240e+001 1.5240e+001 1.7172e+001 1.1539e+002 1.1539e+002 9.1942e+001 </LatticeParameters>
339- </LatticeCandidate>
340- </EquivalentLatticeCandidates>
341-
342- </LatticeCandidate>
343-
344- <LatticeCandidate number="0703052">
345- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
346-
347- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
348- <ReducedLatticeParameters> 1.0080e+001 1.0257e+001 8.8763e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
349- <OptimizedLatticeParameters> 1.0080e+001 1.0257e+001 8.8763e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
350-
351- <VolumeOfUnitCell> 9.1772e+003 </VolumeOfUnitCell>
352- <FigureOfMeritWolff name="M20"> 3.0828e+000 </FigureOfMeritWolff>
353- <FigureOfMeritWu name="Mwu20"> 2.9146e+000 </FigureOfMeritWu>
354- <ReversedFigureOfMeritWolff name="Mrev20"> 1.2588e+000 </ReversedFigureOfMeritWolff>
355- <SymmetricFigureOfMeritWolff name="Msym20"> 3.8806e+000 </SymmetricFigureOfMeritWolff>
356- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
357- <NumberOfMillerIndicesInRange> 4.4500e+001 </NumberOfMillerIndicesInRange>
358- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
359- <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone>
360-
361- <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood>
362-
363- <EquivalentLatticeCandidates>
364- <LatticeCandidate>
365- <CrystalSystem> Monoclinic(B) </CrystalSystem>
366- <LatticeParameters> 1.0101e+001 8.8645e+001 7.1966e+000 9.0000e+001 1.3457e+002 9.0000e+001 </LatticeParameters>
367- </LatticeCandidate>
368- <LatticeCandidate>
369- <CrystalSystem> Monoclinic(B) </CrystalSystem>
370- <LatticeParameters> 7.1966e+000 8.8645e+001 7.1730e+000 9.0000e+001 9.0859e+001 9.0000e+001 </LatticeParameters>
371- </LatticeCandidate>
372- <LatticeCandidate>
373- <CrystalSystem> Monoclinic(B) </CrystalSystem>
374- <LatticeParameters> 1.0101e+001 1.0254e+001 4.4609e+001 9.0000e+001 9.6501e+001 9.0000e+001 </LatticeParameters>
375- </LatticeCandidate>
376- <LatticeCandidate>
377- <CrystalSystem> Monoclinic(B) </CrystalSystem>
378- <LatticeParameters> 1.0254e+001 1.0101e+001 4.4618e+001 9.0000e+001 9.6598e+001 9.0000e+001 </LatticeParameters>
379- </LatticeCandidate>
380- <LatticeCandidate>
381- <CrystalSystem> Triclinic </CrystalSystem>
382- <LatticeParameters> 7.1966e+000 7.1966e+000 4.4609e+001 9.4557e+001 9.4557e+001 9.0862e+001 </LatticeParameters>
383- </LatticeCandidate>
384- </EquivalentLatticeCandidates>
385-
386- </LatticeCandidate>
387-
388- <LatticeCandidate number="0704764">
389- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
390-
391- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
392- <ReducedLatticeParameters> 4.2412e+000 3.1577e+001 3.9316e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
393- <OptimizedLatticeParameters> 4.2412e+000 3.1577e+001 3.9316e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
394-
395- <VolumeOfUnitCell> 5.2653e+003 </VolumeOfUnitCell>
396- <FigureOfMeritWolff name="M20"> 3.0652e+000 </FigureOfMeritWolff>
397- <FigureOfMeritWu name="Mwu20"> 2.4793e+000 </FigureOfMeritWu>
398- <ReversedFigureOfMeritWolff name="Mrev20"> 1.8249e+000 </ReversedFigureOfMeritWolff>
399- <SymmetricFigureOfMeritWolff name="Msym20"> 5.5939e+000 </SymmetricFigureOfMeritWolff>
400- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
401- <NumberOfMillerIndicesInRange> 3.1500e+001 </NumberOfMillerIndicesInRange>
402- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
403- <NumberOfPeaksNecessaryToResolveDominantZone> 20 </NumberOfPeaksNecessaryToResolveDominantZone>
404-
405- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
406-
407- <EquivalentLatticeCandidates>
408- <LatticeCandidate>
409- <CrystalSystem> Monoclinic(B) </CrystalSystem>
410- <LatticeParameters> 4.2384e+000 3.9236e+001 1.5945e+001 9.0000e+001 9.7638e+001 9.0000e+001 </LatticeParameters>
411- </LatticeCandidate>
412- <LatticeCandidate>
413- <CrystalSystem> Monoclinic(B) </CrystalSystem>
414- <LatticeParameters> 4.2384e+000 3.1606e+001 1.9732e+001 9.0000e+001 9.6165e+001 9.0000e+001 </LatticeParameters>
415- </LatticeCandidate>
416- <LatticeCandidate>
417- <CrystalSystem> Monoclinic(B) </CrystalSystem>
418- <LatticeParameters> 3.1606e+001 4.2384e+000 2.5191e+001 9.0000e+001 1.2885e+002 9.0000e+001 </LatticeParameters>
419- </LatticeCandidate>
420- <LatticeCandidate>
421- <CrystalSystem> Triclinic </CrystalSystem>
422- <LatticeParameters> 4.2384e+000 1.5945e+001 1.9732e+001 8.9182e+001 8.3835e+001 8.2362e+001 </LatticeParameters>
423- </LatticeCandidate>
424- </EquivalentLatticeCandidates>
425-
426- </LatticeCandidate>
427-
428-
429-
430- <!-- Candidates for Orthorhombic(I) -->
431-
432-
433-
434- <!-- Candidates for Orthorhombic(C) -->
435-
436- <LatticeCandidate number="0501161">
437- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
438-
439- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
440- <ReducedLatticeParameters> 3.4455e+000 3.0447e+001 1.8287e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
441- <OptimizedLatticeParameters> 3.4455e+000 3.0447e+001 1.8287e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
442-
443- <VolumeOfUnitCell> 1.9184e+003 </VolumeOfUnitCell>
444- <FigureOfMeritWolff name="M20"> 3.1948e+000 </FigureOfMeritWolff>
445- <FigureOfMeritWu name="Mwu20"> 2.7528e+000 </FigureOfMeritWu>
446- <ReversedFigureOfMeritWolff name="Mrev20"> 2.4939e+000 </ReversedFigureOfMeritWolff>
447- <SymmetricFigureOfMeritWolff name="Msym20"> 7.9675e+000 </SymmetricFigureOfMeritWolff>
448- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
449- <NumberOfMillerIndicesInRange> 2.8000e+001 </NumberOfMillerIndicesInRange>
450- <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks>
451- <NumberOfPeaksNecessaryToResolveDominantZone> 35 </NumberOfPeaksNecessaryToResolveDominantZone>
452-
453- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
454-
455- <EquivalentLatticeCandidates>
456- <LatticeCandidate>
457- <CrystalSystem> Triclinic </CrystalSystem>
458- <LatticeParameters> 3.4434e+000 1.5294e+001 1.8273e+001 9.0000e+001 9.0000e+001 9.6464e+001 </LatticeParameters>
459- </LatticeCandidate>
460- </EquivalentLatticeCandidates>
461-
462- </LatticeCandidate>
463-
464- <LatticeCandidate number="0501273">
465- <CrystalSystem> Orthorhombic(C) </CrystalSystem>
466-
467- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
468- <ReducedLatticeParameters> 3.5732e+000 1.6669e+001 2.4598e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
469- <OptimizedLatticeParameters> 3.5732e+000 1.6669e+001 2.4598e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
470-
471- <VolumeOfUnitCell> 1.4651e+003 </VolumeOfUnitCell>
472- <FigureOfMeritWolff name="M20"> 3.1818e+000 </FigureOfMeritWolff>
473- <FigureOfMeritWu name="Mwu20"> 2.4305e+000 </FigureOfMeritWu>
474- <ReversedFigureOfMeritWolff name="Mrev20"> 2.8463e+000 </ReversedFigureOfMeritWolff>
475- <SymmetricFigureOfMeritWolff name="Msym20"> 9.0562e+000 </SymmetricFigureOfMeritWolff>
476- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
477- <NumberOfMillerIndicesInRange> 1.7750e+001 </NumberOfMillerIndicesInRange>
478- <NumberOfIndexedPeaks> 14 </NumberOfIndexedPeaks>
479- <NumberOfPeaksNecessaryToResolveDominantZone> 33 </NumberOfPeaksNecessaryToResolveDominantZone>
480-
481- <NumberOfLatticesInNeighborhood> 14 </NumberOfLatticesInNeighborhood>
482-
483- <EquivalentLatticeCandidates>
484- <LatticeCandidate>
485- <CrystalSystem> Triclinic </CrystalSystem>
486- <LatticeParameters> 3.5684e+000 8.5290e+000 2.4643e+001 9.0000e+001 9.0000e+001 1.0208e+002 </LatticeParameters>
487- </LatticeCandidate>
488- </EquivalentLatticeCandidates>
489-
490- </LatticeCandidate>
491-
492-
493-
494- <!-- Candidates for Orthorhombic(P) -->
495-
496- <LatticeCandidate number="0402932">
497- <CrystalSystem> Orthorhombic(P) </CrystalSystem>
498-
499- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
500- <ReducedLatticeParameters> 4.7711e+000 1.5211e+001 1.8405e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
501- <OptimizedLatticeParameters> 4.7711e+000 1.5211e+001 1.8405e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
502-
503- <VolumeOfUnitCell> 1.3357e+003 </VolumeOfUnitCell>
504- <FigureOfMeritWolff name="M20"> 3.1050e+000 </FigureOfMeritWolff>
505- <FigureOfMeritWu name="Mwu20"> 3.1954e+000 </FigureOfMeritWu>
506- <ReversedFigureOfMeritWolff name="Mrev20"> 2.1416e+000 </ReversedFigureOfMeritWolff>
507- <SymmetricFigureOfMeritWolff name="Msym20"> 6.6496e+000 </SymmetricFigureOfMeritWolff>
508- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
509- <NumberOfMillerIndicesInRange> 3.2750e+001 </NumberOfMillerIndicesInRange>
510- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
511- <NumberOfPeaksNecessaryToResolveDominantZone> 18 </NumberOfPeaksNecessaryToResolveDominantZone>
512-
513- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
514-
515- <EquivalentLatticeCandidates>
516- <LatticeCandidate>
517- <CrystalSystem> Monoclinic(B) </CrystalSystem>
518- <LatticeParameters> 4.7251e+000 3.6740e+001 1.5242e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
519- </LatticeCandidate>
520- <LatticeCandidate>
521- <CrystalSystem> Monoclinic(B) </CrystalSystem>
522- <LatticeParameters> 3.0484e+001 4.6694e+000 2.3870e+001 9.0000e+001 1.2968e+002 9.0000e+001 </LatticeParameters>
523- </LatticeCandidate>
524- <LatticeCandidate>
525- <CrystalSystem> Monoclinic(B) </CrystalSystem>
526- <LatticeParameters> 4.7075e+000 3.0484e+001 1.8370e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
527- </LatticeCandidate>
528- </EquivalentLatticeCandidates>
529-
530- </LatticeCandidate>
531-
532- <LatticeCandidate number="0402442">
533- <CrystalSystem> Orthorhombic(P) </CrystalSystem>
534-
535- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
536- <ReducedLatticeParameters> 3.0761e+000 1.5094e+001 3.7493e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters>
537- <OptimizedLatticeParameters> 3.0761e+000 1.5094e+001 3.7493e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters>
538-
539- <VolumeOfUnitCell> 1.7408e+003 </VolumeOfUnitCell>
540- <FigureOfMeritWolff name="M20"> 3.0010e+000 </FigureOfMeritWolff>
541- <FigureOfMeritWu name="Mwu20"> 3.0689e+000 </FigureOfMeritWu>
542- <ReversedFigureOfMeritWolff name="Mrev20"> 2.4237e+000 </ReversedFigureOfMeritWolff>
543- <SymmetricFigureOfMeritWolff name="Msym20"> 7.2737e+000 </SymmetricFigureOfMeritWolff>
544- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
545- <NumberOfMillerIndicesInRange> 4.0500e+001 </NumberOfMillerIndicesInRange>
546- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
547- <NumberOfPeaksNecessaryToResolveDominantZone> 44 </NumberOfPeaksNecessaryToResolveDominantZone>
548-
549- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
550-
551- <EquivalentLatticeCandidates>
552- <LatticeCandidate>
553- <CrystalSystem> Monoclinic(B) </CrystalSystem>
554- <LatticeParameters> 1.4797e+001 7.4987e+001 3.0761e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
555- </LatticeCandidate>
556- <LatticeCandidate>
557- <CrystalSystem> Monoclinic(B) </CrystalSystem>
558- <LatticeParameters> 1.5089e+001 7.4987e+001 3.0736e+000 9.0000e+001 1.0129e+002 9.0000e+001 </LatticeParameters>
559- </LatticeCandidate>
560- </EquivalentLatticeCandidates>
561-
562- </LatticeCandidate>
563-
564-
565-
566- <!-- Candidates for Monoclinic(B) -->
567-
568- <LatticeCandidate number="03047843">
569- <CrystalSystem> Monoclinic(B) </CrystalSystem>
570-
571- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
572- <ReducedLatticeParameters> 3.0150e+001 2.8469e+000 2.4045e+001 9.0000e+001 1.2813e+002 9.0000e+001 </ReducedLatticeParameters>
573- <OptimizedLatticeParameters> 3.0150e+001 2.8469e+000 2.4045e+001 9.0000e+001 1.2813e+002 9.0000e+001 </OptimizedLatticeParameters>
574-
575- <VolumeOfUnitCell> 1.6235e+003 </VolumeOfUnitCell>
576- <FigureOfMeritWolff name="M20"> 4.2346e+000 </FigureOfMeritWolff>
577- <FigureOfMeritWu name="Mwu20"> 3.4908e+000 </FigureOfMeritWu>
578- <ReversedFigureOfMeritWolff name="Mrev20"> 2.5311e+000 </ReversedFigureOfMeritWolff>
579- <SymmetricFigureOfMeritWolff name="Msym20"> 1.0718e+001 </SymmetricFigureOfMeritWolff>
580- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
581- <NumberOfMillerIndicesInRange> 3.0000e+001 </NumberOfMillerIndicesInRange>
582- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
583- <NumberOfPeaksNecessaryToResolveDominantZone> 50 </NumberOfPeaksNecessaryToResolveDominantZone>
584-
585- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
586-
587- <EquivalentLatticeCandidates>
588- <LatticeCandidate>
589- <CrystalSystem> Triclinic </CrystalSystem>
590- <LatticeParameters> 2.8469e+000 1.5152e+001 1.8997e+001 9.0362e+001 9.4297e+001 9.5391e+001 </LatticeParameters>
591- </LatticeCandidate>
592- </EquivalentLatticeCandidates>
593-
594- </LatticeCandidate>
595-
596- <LatticeCandidate number="03024104">
597- <CrystalSystem> Monoclinic(B) </CrystalSystem>
598-
599- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
600- <ReducedLatticeParameters> 4.8474e+000 3.4216e+001 2.9260e+001 9.0000e+001 9.2014e+001 9.0000e+001 </ReducedLatticeParameters>
601- <OptimizedLatticeParameters> 4.8474e+000 3.4216e+001 2.9260e+001 9.0000e+001 9.2014e+001 9.0000e+001 </OptimizedLatticeParameters>
602-
603- <VolumeOfUnitCell> 4.8500e+003 </VolumeOfUnitCell>
604- <FigureOfMeritWolff name="M20"> 3.6609e+000 </FigureOfMeritWolff>
605- <FigureOfMeritWu name="Mwu20"> 3.1712e+000 </FigureOfMeritWu>
606- <ReversedFigureOfMeritWolff name="Mrev20"> 1.8273e+000 </ReversedFigureOfMeritWolff>
607- <SymmetricFigureOfMeritWolff name="Msym20"> 6.6894e+000 </SymmetricFigureOfMeritWolff>
608- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
609- <NumberOfMillerIndicesInRange> 7.1500e+001 </NumberOfMillerIndicesInRange>
610- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
611- <NumberOfPeaksNecessaryToResolveDominantZone> 15 </NumberOfPeaksNecessaryToResolveDominantZone>
612-
613- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
614-
615- <EquivalentLatticeCandidates>
616- <LatticeCandidate>
617- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
618- <LatticeParameters> 9.5267e+000 9.5984e+000 2.9523e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
619- </LatticeCandidate>
620- <LatticeCandidate>
621- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
622- <LatticeParameters> 4.8451e+000 3.4214e+001 5.8414e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
623- </LatticeCandidate>
624- <LatticeCandidate>
625- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
626- <LatticeParameters> 8.8642e+000 9.4171e+000 9.5267e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
627- </LatticeCandidate>
628- <LatticeCandidate>
629- <CrystalSystem> Triclinic </CrystalSystem>
630- <LatticeParameters> 4.8504e+000 1.7278e+001 2.9226e+001 8.9706e+001 8.7907e+001 8.1931e+001 </LatticeParameters>
631- </LatticeCandidate>
632- </EquivalentLatticeCandidates>
633-
634- </LatticeCandidate>
635-
636- <LatticeCandidate number="03064626">
637- <CrystalSystem> Monoclinic(B) </CrystalSystem>
638-
639- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
640- <ReducedLatticeParameters> 4.6268e+000 5.4750e+001 3.6595e+000 9.0000e+001 1.2526e+002 9.0000e+001 </ReducedLatticeParameters>
641- <OptimizedLatticeParameters> 4.6268e+000 5.4750e+001 3.6595e+000 9.0000e+001 1.2526e+002 9.0000e+001 </OptimizedLatticeParameters>
642-
643- <VolumeOfUnitCell> 7.5699e+002 </VolumeOfUnitCell>
644- <FigureOfMeritWolff name="M20"> 3.6534e+000 </FigureOfMeritWolff>
645- <FigureOfMeritWu name="Mwu20"> 2.8661e+000 </FigureOfMeritWu>
646- <ReversedFigureOfMeritWolff name="Mrev20"> 3.0449e+000 </ReversedFigureOfMeritWolff>
647- <SymmetricFigureOfMeritWolff name="Msym20"> 1.1124e+001 </SymmetricFigureOfMeritWolff>
648- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
649- <NumberOfMillerIndicesInRange> 1.8500e+001 </NumberOfMillerIndicesInRange>
650- <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks>
651- <NumberOfPeaksNecessaryToResolveDominantZone> 44 </NumberOfPeaksNecessaryToResolveDominantZone>
652-
653- <NumberOfLatticesInNeighborhood> 44 </NumberOfLatticesInNeighborhood>
654-
655- <EquivalentLatticeCandidates>
656- <LatticeCandidate>
657- <CrystalSystem> Triclinic </CrystalSystem>
658- <LatticeParameters> 3.6551e+000 3.9045e+000 2.7432e+001 9.3119e+001 9.2792e+001 1.0457e+002 </LatticeParameters>
659- </LatticeCandidate>
660- </EquivalentLatticeCandidates>
661-
662- </LatticeCandidate>
663-
664- <LatticeCandidate number="03051759">
665- <CrystalSystem> Monoclinic(B) </CrystalSystem>
666-
667- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
668- <ReducedLatticeParameters> 1.6237e+001 3.5947e+000 2.3830e+001 9.0000e+001 9.3578e+001 9.0000e+001 </ReducedLatticeParameters>
669- <OptimizedLatticeParameters> 1.6237e+001 3.5947e+000 2.3830e+001 9.0000e+001 9.3578e+001 9.0000e+001 </OptimizedLatticeParameters>
670-
671- <VolumeOfUnitCell> 1.3882e+003 </VolumeOfUnitCell>
672- <FigureOfMeritWolff name="M20"> 3.4438e+000 </FigureOfMeritWolff>
673- <FigureOfMeritWu name="Mwu20"> 3.3462e+000 </FigureOfMeritWu>
674- <ReversedFigureOfMeritWolff name="Mrev20"> 2.4078e+000 </ReversedFigureOfMeritWolff>
675- <SymmetricFigureOfMeritWolff name="Msym20"> 8.2922e+000 </SymmetricFigureOfMeritWolff>
676- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
677- <NumberOfMillerIndicesInRange> 3.1000e+001 </NumberOfMillerIndicesInRange>
678- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
679- <NumberOfPeaksNecessaryToResolveDominantZone> 33 </NumberOfPeaksNecessaryToResolveDominantZone>
680-
681- <NumberOfLatticesInNeighborhood> 15 </NumberOfLatticesInNeighborhood>
682-
683- <EquivalentLatticeCandidates>
684- <LatticeCandidate>
685- <CrystalSystem> Triclinic </CrystalSystem>
686- <LatticeParameters> 3.5952e+000 8.3144e+000 2.3782e+001 8.6561e+001 9.0000e+001 7.7514e+001 </LatticeParameters>
687- </LatticeCandidate>
688- </EquivalentLatticeCandidates>
689-
690- </LatticeCandidate>
691-
692- <LatticeCandidate number="03021383">
693- <CrystalSystem> Monoclinic(B) </CrystalSystem>
694-
695- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
696- <ReducedLatticeParameters> 3.4838e+001 4.0942e+001 4.1424e+000 9.0000e+001 9.1065e+001 9.0000e+001 </ReducedLatticeParameters>
697- <OptimizedLatticeParameters> 3.4838e+001 4.0942e+001 4.1424e+000 9.0000e+001 9.1065e+001 9.0000e+001 </OptimizedLatticeParameters>
698-
699- <VolumeOfUnitCell> 5.9075e+003 </VolumeOfUnitCell>
700- <FigureOfMeritWolff name="M20"> 3.3781e+000 </FigureOfMeritWolff>
701- <FigureOfMeritWu name="Mwu20"> 3.0895e+000 </FigureOfMeritWu>
702- <ReversedFigureOfMeritWolff name="Mrev20"> 1.3346e+000 </ReversedFigureOfMeritWolff>
703- <SymmetricFigureOfMeritWolff name="Msym20"> 4.5085e+000 </SymmetricFigureOfMeritWolff>
704- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
705- <NumberOfMillerIndicesInRange> 1.0650e+002 </NumberOfMillerIndicesInRange>
706- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
707- <NumberOfPeaksNecessaryToResolveDominantZone> 22 </NumberOfPeaksNecessaryToResolveDominantZone>
708-
709- <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood>
710-
711- <EquivalentLatticeCandidates>
712- <LatticeCandidate>
713- <CrystalSystem> Rhombohedral </CrystalSystem>
714- <LatticeParameters> 5.0277e+001 5.0277e+001 4.1175e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
715- </LatticeCandidate>
716- <LatticeCandidate>
717- <CrystalSystem> Rhombohedral </CrystalSystem>
718- <LatticeParameters> 5.0277e+001 5.0277e+001 4.1318e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
719- </LatticeCandidate>
720- <LatticeCandidate>
721- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
722- <LatticeParameters> 8.1131e+000 8.1960e+000 5.3044e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
723- </LatticeCandidate>
724- <LatticeCandidate>
725- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
726- <LatticeParameters> 7.8861e+000 8.1606e+000 8.1960e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
727- </LatticeCandidate>
728- <LatticeCandidate>
729- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
730- <LatticeParameters> 4.1306e+000 2.5412e+001 5.3044e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
731- </LatticeCandidate>
732- <LatticeCandidate>
733- <CrystalSystem> Triclinic </CrystalSystem>
734- <LatticeParameters> 4.1393e+000 2.6873e+001 2.6873e+001 9.9243e+001 9.0693e+001 9.0693e+001 </LatticeParameters>
735- </LatticeCandidate>
736- </EquivalentLatticeCandidates>
737-
738- </LatticeCandidate>
739-
740- <LatticeCandidate number="03044806">
741- <CrystalSystem> Monoclinic(B) </CrystalSystem>
742-
743- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
744- <ReducedLatticeParameters> 1.5854e+001 6.4826e+000 1.8556e+001 9.0000e+001 1.0678e+002 9.0000e+001 </ReducedLatticeParameters>
745- <OptimizedLatticeParameters> 1.5854e+001 6.4826e+000 1.8556e+001 9.0000e+001 1.0678e+002 9.0000e+001 </OptimizedLatticeParameters>
746-
747- <VolumeOfUnitCell> 1.8259e+003 </VolumeOfUnitCell>
748- <FigureOfMeritWolff name="M20"> 3.3543e+000 </FigureOfMeritWolff>
749- <FigureOfMeritWu name="Mwu20"> 3.0452e+000 </FigureOfMeritWu>
750- <ReversedFigureOfMeritWolff name="Mrev20"> 2.5866e+000 </ReversedFigureOfMeritWolff>
751- <SymmetricFigureOfMeritWolff name="Msym20"> 8.6762e+000 </SymmetricFigureOfMeritWolff>
752- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
753- <NumberOfMillerIndicesInRange> 3.1500e+001 </NumberOfMillerIndicesInRange>
754- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
755- <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone>
756-
757- <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood>
758-
759- <EquivalentLatticeCandidates>
760- <LatticeCandidate>
761- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
762- <LatticeParameters> 8.2065e+000 1.1978e+001 3.5505e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
763- </LatticeCandidate>
764- <LatticeCandidate>
765- <CrystalSystem> Triclinic </CrystalSystem>
766- <LatticeParameters> 6.5191e+000 8.5653e+000 1.8228e+001 9.3501e+001 1.0030e+002 1.1237e+002 </LatticeParameters>
767- </LatticeCandidate>
768- </EquivalentLatticeCandidates>
769-
770- </LatticeCandidate>
771-
772- <LatticeCandidate number="03052090">
773- <CrystalSystem> Monoclinic(B) </CrystalSystem>
774-
775- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
776- <ReducedLatticeParameters> 6.8973e+000 5.4767e+001 3.8764e+000 9.0000e+001 1.1033e+002 9.0000e+001 </ReducedLatticeParameters>
777- <OptimizedLatticeParameters> 6.8973e+000 5.4767e+001 3.8764e+000 9.0000e+001 1.1033e+002 9.0000e+001 </OptimizedLatticeParameters>
778-
779- <VolumeOfUnitCell> 1.3731e+003 </VolumeOfUnitCell>
780- <FigureOfMeritWolff name="M20"> 3.3466e+000 </FigureOfMeritWolff>
781- <FigureOfMeritWu name="Mwu20"> 2.9435e+000 </FigureOfMeritWu>
782- <ReversedFigureOfMeritWolff name="Mrev20"> 2.3473e+000 </ReversedFigureOfMeritWolff>
783- <SymmetricFigureOfMeritWolff name="Msym20"> 7.8555e+000 </SymmetricFigureOfMeritWolff>
784- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
785- <NumberOfMillerIndicesInRange> 2.7500e+001 </NumberOfMillerIndicesInRange>
786- <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks>
787- <NumberOfPeaksNecessaryToResolveDominantZone> 30 </NumberOfPeaksNecessaryToResolveDominantZone>
788-
789- <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood>
790-
791- <EquivalentLatticeCandidates>
792- <LatticeCandidate>
793- <CrystalSystem> Triclinic </CrystalSystem>
794- <LatticeParameters> 3.8765e+000 6.6222e+000 2.7550e+001 9.5999e+001 9.2497e+001 1.0288e+002 </LatticeParameters>
795- </LatticeCandidate>
796- </EquivalentLatticeCandidates>
797-
798- </LatticeCandidate>
799-
800- <LatticeCandidate number="03023051">
801- <CrystalSystem> Monoclinic(B) </CrystalSystem>
802-
803- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
804- <ReducedLatticeParameters> 8.7502e+000 2.2226e+001 2.6729e+001 9.0000e+001 9.2926e+001 9.0000e+001 </ReducedLatticeParameters>
805- <OptimizedLatticeParameters> 8.7502e+000 2.2226e+001 2.6729e+001 9.0000e+001 9.2926e+001 9.0000e+001 </OptimizedLatticeParameters>
806-
807- <VolumeOfUnitCell> 5.1915e+003 </VolumeOfUnitCell>
808- <FigureOfMeritWolff name="M20"> 3.3092e+000 </FigureOfMeritWolff>
809- <FigureOfMeritWu name="Mwu20"> 2.7448e+000 </FigureOfMeritWu>
810- <ReversedFigureOfMeritWolff name="Mrev20"> 1.2626e+000 </ReversedFigureOfMeritWolff>
811- <SymmetricFigureOfMeritWolff name="Msym20"> 4.1782e+000 </SymmetricFigureOfMeritWolff>
812- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
813- <NumberOfMillerIndicesInRange> 7.7500e+001 </NumberOfMillerIndicesInRange>
814- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
815- <NumberOfPeaksNecessaryToResolveDominantZone> 6 </NumberOfPeaksNecessaryToResolveDominantZone>
816-
817- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
818-
819- <EquivalentLatticeCandidates>
820- <LatticeCandidate>
821- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
822- <LatticeParameters> 8.6929e+000 2.2241e+001 5.3361e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
823- </LatticeCandidate>
824- <LatticeCandidate>
825- <CrystalSystem> Triclinic </CrystalSystem>
826- <LatticeParameters> 8.7496e+000 1.1950e+001 2.6713e+001 8.8961e+001 8.7161e+001 6.8526e+001 </LatticeParameters>
827- </LatticeCandidate>
828- </EquivalentLatticeCandidates>
829-
830- </LatticeCandidate>
831-
832- <LatticeCandidate number="03055283">
833- <CrystalSystem> Monoclinic(B) </CrystalSystem>
834-
835- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
836- <ReducedLatticeParameters> 2.4054e+001 3.2865e+000 1.7559e+001 9.0000e+001 1.2230e+002 9.0000e+001 </ReducedLatticeParameters>
837- <OptimizedLatticeParameters> 2.4054e+001 3.2865e+000 1.7559e+001 9.0000e+001 1.2230e+002 9.0000e+001 </OptimizedLatticeParameters>
838-
839- <VolumeOfUnitCell> 1.1734e+003 </VolumeOfUnitCell>
840- <FigureOfMeritWolff name="M20"> 3.2812e+000 </FigureOfMeritWolff>
841- <FigureOfMeritWu name="Mwu20"> 3.1546e+000 </FigureOfMeritWu>
842- <ReversedFigureOfMeritWolff name="Mrev20"> 2.8538e+000 </ReversedFigureOfMeritWolff>
843- <SymmetricFigureOfMeritWolff name="Msym20"> 9.3640e+000 </SymmetricFigureOfMeritWolff>
844- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
845- <NumberOfMillerIndicesInRange> 2.7500e+001 </NumberOfMillerIndicesInRange>
846- <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks>
847- <NumberOfPeaksNecessaryToResolveDominantZone> 36 </NumberOfPeaksNecessaryToResolveDominantZone>
848-
849- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
850-
851- <EquivalentLatticeCandidates>
852- <LatticeCandidate>
853- <CrystalSystem> Triclinic </CrystalSystem>
854- <LatticeParameters> 3.2835e+000 1.2126e+001 1.5180e+001 7.9233e+001 8.3791e+001 8.2219e+001 </LatticeParameters>
855- </LatticeCandidate>
856- </EquivalentLatticeCandidates>
857-
858- </LatticeCandidate>
859-
860- <LatticeCandidate number="03028521">
861- <CrystalSystem> Monoclinic(B) </CrystalSystem>
862-
863- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
864- <ReducedLatticeParameters> 8.1400e+001 2.8871e+000 1.5633e+001 9.0000e+001 9.0429e+001 9.0000e+001 </ReducedLatticeParameters>
865- <OptimizedLatticeParameters> 8.1400e+001 2.8871e+000 1.5633e+001 9.0000e+001 9.0429e+001 9.0000e+001 </OptimizedLatticeParameters>
866-
867- <VolumeOfUnitCell> 3.6738e+003 </VolumeOfUnitCell>
868- <FigureOfMeritWolff name="M20"> 3.2348e+000 </FigureOfMeritWolff>
869- <FigureOfMeritWu name="Mwu20"> 3.1052e+000 </FigureOfMeritWu>
870- <ReversedFigureOfMeritWolff name="Mrev20"> 1.4648e+000 </ReversedFigureOfMeritWolff>
871- <SymmetricFigureOfMeritWolff name="Msym20"> 4.7384e+000 </SymmetricFigureOfMeritWolff>
872- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
873- <NumberOfMillerIndicesInRange> 6.8000e+001 </NumberOfMillerIndicesInRange>
874- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
875- <NumberOfPeaksNecessaryToResolveDominantZone> 49 </NumberOfPeaksNecessaryToResolveDominantZone>
876-
877- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
878-
879- <EquivalentLatticeCandidates>
880- <LatticeCandidate>
881- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
882- <LatticeParameters> 2.8803e+000 1.5366e+001 8.1412e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
883- </LatticeCandidate>
884- <LatticeCandidate>
885- <CrystalSystem> Triclinic </CrystalSystem>
886- <LatticeParameters> 2.8803e+000 1.5633e+001 4.0732e+001 9.0267e+001 9.2026e+001 9.0000e+001 </LatticeParameters>
887- </LatticeCandidate>
888- </EquivalentLatticeCandidates>
889-
890- </LatticeCandidate>
891-
892- <LatticeCandidate number="03062941">
893- <CrystalSystem> Monoclinic(B) </CrystalSystem>
894-
895- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
896- <ReducedLatticeParameters> 2.3534e+001 3.4264e+000 1.0309e+001 9.0000e+001 9.5077e+001 9.0000e+001 </ReducedLatticeParameters>
897- <OptimizedLatticeParameters> 2.3534e+001 3.4264e+000 1.0309e+001 9.0000e+001 9.5077e+001 9.0000e+001 </OptimizedLatticeParameters>
898-
899- <VolumeOfUnitCell> 8.2800e+002 </VolumeOfUnitCell>
900- <FigureOfMeritWolff name="M20"> 3.2036e+000 </FigureOfMeritWolff>
901- <FigureOfMeritWu name="Mwu20"> 2.2692e+000 </FigureOfMeritWu>
902- <ReversedFigureOfMeritWolff name="Mrev20"> 2.8292e+000 </ReversedFigureOfMeritWolff>
903- <SymmetricFigureOfMeritWolff name="Msym20"> 9.0637e+000 </SymmetricFigureOfMeritWolff>
904- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
905- <NumberOfMillerIndicesInRange> 1.9000e+001 </NumberOfMillerIndicesInRange>
906- <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks>
907- <NumberOfPeaksNecessaryToResolveDominantZone> 36 </NumberOfPeaksNecessaryToResolveDominantZone>
908-
909- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
910-
911- <EquivalentLatticeCandidates>
912- <LatticeCandidate>
913- <CrystalSystem> Triclinic </CrystalSystem>
914- <LatticeParameters> 3.4161e+000 1.0304e+001 1.1900e+001 9.4843e+001 9.8252e+001 9.0000e+001 </LatticeParameters>
915- </LatticeCandidate>
916- </EquivalentLatticeCandidates>
917-
918- </LatticeCandidate>
919-
920- <LatticeCandidate number="03047087">
921- <CrystalSystem> Monoclinic(B) </CrystalSystem>
922-
923- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
924- <ReducedLatticeParameters> 3.1886e+001 3.1011e+000 2.2578e+001 9.0000e+001 1.3115e+002 9.0000e+001 </ReducedLatticeParameters>
925- <OptimizedLatticeParameters> 3.1886e+001 3.1011e+000 2.2578e+001 9.0000e+001 1.3115e+002 9.0000e+001 </OptimizedLatticeParameters>
926-
927- <VolumeOfUnitCell> 1.6810e+003 </VolumeOfUnitCell>
928- <FigureOfMeritWolff name="M20"> 3.1920e+000 </FigureOfMeritWolff>
929- <FigureOfMeritWu name="Mwu20"> 2.5734e+000 </FigureOfMeritWu>
930- <ReversedFigureOfMeritWolff name="Mrev20"> 1.7431e+000 </ReversedFigureOfMeritWolff>
931- <SymmetricFigureOfMeritWolff name="Msym20"> 5.5640e+000 </SymmetricFigureOfMeritWolff>
932- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
933- <NumberOfMillerIndicesInRange> 3.2000e+001 </NumberOfMillerIndicesInRange>
934- <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks>
935- <NumberOfPeaksNecessaryToResolveDominantZone> 42 </NumberOfPeaksNecessaryToResolveDominantZone>
936-
937- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
938-
939- <EquivalentLatticeCandidates>
940- <LatticeCandidate>
941- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
942- <LatticeParameters> 3.1048e+000 2.2487e+001 2.4048e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
943- </LatticeCandidate>
944- <LatticeCandidate>
945- <CrystalSystem> Triclinic </CrystalSystem>
946- <LatticeParameters> 3.1048e+000 1.6015e+001 1.7110e+001 9.3313e+001 9.5206e+001 9.5563e+001 </LatticeParameters>
947- </LatticeCandidate>
948- </EquivalentLatticeCandidates>
949-
950- </LatticeCandidate>
951-
952- <LatticeCandidate number="03026331">
953- <CrystalSystem> Monoclinic(B) </CrystalSystem>
954-
955- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
956- <ReducedLatticeParameters> 4.0237e+001 4.1692e+000 2.9117e+001 9.0000e+001 1.2172e+002 9.0000e+001 </ReducedLatticeParameters>
957- <OptimizedLatticeParameters> 4.0237e+001 4.1692e+000 2.9117e+001 9.0000e+001 1.2172e+002 9.0000e+001 </OptimizedLatticeParameters>
958-
959- <VolumeOfUnitCell> 4.1550e+003 </VolumeOfUnitCell>
960- <FigureOfMeritWolff name="M20"> 3.1234e+000 </FigureOfMeritWolff>
961- <FigureOfMeritWu name="Mwu20"> 3.2594e+000 </FigureOfMeritWu>
962- <ReversedFigureOfMeritWolff name="Mrev20"> 1.2224e+000 </ReversedFigureOfMeritWolff>
963- <SymmetricFigureOfMeritWolff name="Msym20"> 3.8180e+000 </SymmetricFigureOfMeritWolff>
964- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
965- <NumberOfMillerIndicesInRange> 9.1500e+001 </NumberOfMillerIndicesInRange>
966- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
967- <NumberOfPeaksNecessaryToResolveDominantZone> 20 </NumberOfPeaksNecessaryToResolveDominantZone>
968-
969- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
970-
971- <EquivalentLatticeCandidates>
972- <LatticeCandidate>
973- <CrystalSystem> Rhombohedral </CrystalSystem>
974- <LatticeParameters> 3.6595e+001 3.6595e+001 4.1684e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
975- </LatticeCandidate>
976- <LatticeCandidate>
977- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
978- <LatticeParameters> 4.1735e+000 2.8356e+001 3.4150e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
979- </LatticeCandidate>
980- <LatticeCandidate>
981- <CrystalSystem> Triclinic </CrystalSystem>
982- <LatticeParameters> 4.1735e+000 2.0169e+001 2.5342e+001 7.8721e+001 8.5277e+001 8.4061e+001 </LatticeParameters>
983- </LatticeCandidate>
984- </EquivalentLatticeCandidates>
985-
986- </LatticeCandidate>
987-
988- <LatticeCandidate number="03051003">
989- <CrystalSystem> Monoclinic(B) </CrystalSystem>
990-
991- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
992- <ReducedLatticeParameters> 2.4037e+001 3.1313e+000 1.9332e+001 9.0000e+001 1.0127e+002 9.0000e+001 </ReducedLatticeParameters>
993- <OptimizedLatticeParameters> 2.4037e+001 3.1313e+000 1.9332e+001 9.0000e+001 1.0127e+002 9.0000e+001 </OptimizedLatticeParameters>
994-
995- <VolumeOfUnitCell> 1.4270e+003 </VolumeOfUnitCell>
996- <FigureOfMeritWolff name="M20"> 3.0812e+000 </FigureOfMeritWolff>
997- <FigureOfMeritWu name="Mwu20"> 3.1126e+000 </FigureOfMeritWu>
998- <ReversedFigureOfMeritWolff name="Mrev20"> 2.1231e+000 </ReversedFigureOfMeritWolff>
999- <SymmetricFigureOfMeritWolff name="Msym20"> 6.5415e+000 </SymmetricFigureOfMeritWolff>
1000- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1001- <NumberOfMillerIndicesInRange> 3.0500e+001 </NumberOfMillerIndicesInRange>
1002- <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks>
1003- <NumberOfPeaksNecessaryToResolveDominantZone> 42 </NumberOfPeaksNecessaryToResolveDominantZone>
1004-
1005- <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood>
1006-
1007- <EquivalentLatticeCandidates>
1008- <LatticeCandidate>
1009- <CrystalSystem> Triclinic </CrystalSystem>
1010- <LatticeParameters> 3.1373e+000 1.2123e+001 1.9323e+001 1.0135e+002 9.0000e+001 9.7435e+001 </LatticeParameters>
1011- </LatticeCandidate>
1012- </EquivalentLatticeCandidates>
1013-
1014- </LatticeCandidate>
1015-
1016- <LatticeCandidate number="03033817">
1017- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1018-
1019- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1020- <ReducedLatticeParameters> 2.4385e+001 1.0292e+001 1.1221e+001 9.0000e+001 9.7635e+001 9.0000e+001 </ReducedLatticeParameters>
1021- <OptimizedLatticeParameters> 2.4385e+001 1.0292e+001 1.1221e+001 9.0000e+001 9.7635e+001 9.0000e+001 </OptimizedLatticeParameters>
1022-
1023- <VolumeOfUnitCell> 2.7912e+003 </VolumeOfUnitCell>
1024- <FigureOfMeritWolff name="M20"> 3.0748e+000 </FigureOfMeritWolff>
1025- <FigureOfMeritWu name="Mwu20"> 2.7716e+000 </FigureOfMeritWu>
1026- <ReversedFigureOfMeritWolff name="Mrev20"> 1.8715e+000 </ReversedFigureOfMeritWolff>
1027- <SymmetricFigureOfMeritWolff name="Msym20"> 5.7546e+000 </SymmetricFigureOfMeritWolff>
1028- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1029- <NumberOfMillerIndicesInRange> 4.7500e+001 </NumberOfMillerIndicesInRange>
1030- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1031- <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone>
1032-
1033- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
1034-
1035- <EquivalentLatticeCandidates>
1036- <LatticeCandidate>
1037- <CrystalSystem> Rhombohedral </CrystalSystem>
1038- <LatticeParameters> 1.5735e+001 1.5735e+001 1.1335e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1039- </LatticeCandidate>
1040- <LatticeCandidate>
1041- <CrystalSystem> Triclinic </CrystalSystem>
1042- <LatticeParameters> 1.0300e+001 1.1223e+001 1.3247e+001 8.2880e+001 6.7122e+001 9.0000e+001 </LatticeParameters>
1043- </LatticeCandidate>
1044- </EquivalentLatticeCandidates>
1045-
1046- </LatticeCandidate>
1047-
1048- <LatticeCandidate number="03020325">
1049- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1050-
1051- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1052- <ReducedLatticeParameters> 2.2492e+001 2.3009e+001 1.5226e+001 9.0000e+001 1.2611e+002 9.0000e+001 </ReducedLatticeParameters>
1053- <OptimizedLatticeParameters> 2.2492e+001 2.3009e+001 1.5226e+001 9.0000e+001 1.2611e+002 9.0000e+001 </OptimizedLatticeParameters>
1054-
1055- <VolumeOfUnitCell> 6.3658e+003 </VolumeOfUnitCell>
1056- <FigureOfMeritWolff name="M20"> 3.0693e+000 </FigureOfMeritWolff>
1057- <FigureOfMeritWu name="Mwu20"> 2.4927e+000 </FigureOfMeritWu>
1058- <ReversedFigureOfMeritWolff name="Mrev20"> 1.3754e+000 </ReversedFigureOfMeritWolff>
1059- <SymmetricFigureOfMeritWolff name="Msym20"> 4.2216e+000 </SymmetricFigureOfMeritWolff>
1060- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1061- <NumberOfMillerIndicesInRange> 9.7500e+001 </NumberOfMillerIndicesInRange>
1062- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1063- <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone>
1064-
1065- <NumberOfLatticesInNeighborhood> 19 </NumberOfLatticesInNeighborhood>
1066-
1067- <EquivalentLatticeCandidates>
1068- <LatticeCandidate>
1069- <CrystalSystem> Rhombohedral </CrystalSystem>
1070- <LatticeParameters> 2.3360e+001 2.3360e+001 1.6307e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1071- </LatticeCandidate>
1072- <LatticeCandidate>
1073- <CrystalSystem> Rhombohedral </CrystalSystem>
1074- <LatticeParameters> 2.3360e+001 2.3360e+001 1.5654e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1075- </LatticeCandidate>
1076- <LatticeCandidate>
1077- <CrystalSystem> Rhombohedral </CrystalSystem>
1078- <LatticeParameters> 1.7532e+001 1.7532e+001 3.7913e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1079- </LatticeCandidate>
1080- <LatticeCandidate>
1081- <CrystalSystem> Rhombohedral </CrystalSystem>
1082- <LatticeParameters> 2.3716e+001 2.3716e+001 1.7597e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1083- </LatticeCandidate>
1084- <LatticeCandidate>
1085- <CrystalSystem> Rhombohedral </CrystalSystem>
1086- <LatticeParameters> 2.3716e+001 2.3716e+001 1.6282e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1087- </LatticeCandidate>
1088- <LatticeCandidate>
1089- <CrystalSystem> Rhombohedral </CrystalSystem>
1090- <LatticeParameters> 2.4512e+001 2.4512e+001 1.5006e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1091- </LatticeCandidate>
1092- <LatticeCandidate>
1093- <CrystalSystem> Rhombohedral </CrystalSystem>
1094- <LatticeParameters> 2.4512e+001 2.4512e+001 1.4166e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1095- </LatticeCandidate>
1096- <LatticeCandidate>
1097- <CrystalSystem> Rhombohedral </CrystalSystem>
1098- <LatticeParameters> 1.6356e+001 1.6356e+001 4.2864e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1099- </LatticeCandidate>
1100- <LatticeCandidate>
1101- <CrystalSystem> Rhombohedral </CrystalSystem>
1102- <LatticeParameters> 1.5929e+001 1.5929e+001 4.2864e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1103- </LatticeCandidate>
1104- <LatticeCandidate>
1105- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1106- <LatticeParameters> 1.6834e+001 2.5275e+001 2.8576e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1107- </LatticeCandidate>
1108- <LatticeCandidate>
1109- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1110- <LatticeParameters> 1.5115e+001 1.8214e+001 2.3037e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1111- </LatticeCandidate>
1112- <LatticeCandidate>
1113- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1114- <LatticeParameters> 1.6834e+001 1.6834e+001 2.2079e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1115- </LatticeCandidate>
1116- <LatticeCandidate>
1117- <CrystalSystem> Triclinic </CrystalSystem>
1118- <LatticeParameters> 1.5211e+001 1.6090e+001 1.6090e+001 9.1430e+001 1.1413e+002 1.1413e+002 </LatticeParameters>
1119- </LatticeCandidate>
1120- </EquivalentLatticeCandidates>
1121-
1122- </LatticeCandidate>
1123-
1124- <LatticeCandidate number="03022328">
1125- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1126-
1127- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1128- <ReducedLatticeParameters> 2.0450e+001 1.9760e+001 1.6451e+001 9.0000e+001 1.2431e+002 9.0000e+001 </ReducedLatticeParameters>
1129- <OptimizedLatticeParameters> 2.0450e+001 1.9760e+001 1.6451e+001 9.0000e+001 1.2431e+002 9.0000e+001 </OptimizedLatticeParameters>
1130-
1131- <VolumeOfUnitCell> 5.4912e+003 </VolumeOfUnitCell>
1132- <FigureOfMeritWolff name="M20"> 3.0605e+000 </FigureOfMeritWolff>
1133- <FigureOfMeritWu name="Mwu20"> 2.6921e+000 </FigureOfMeritWu>
1134- <ReversedFigureOfMeritWolff name="Mrev20"> 1.2138e+000 </ReversedFigureOfMeritWolff>
1135- <SymmetricFigureOfMeritWolff name="Msym20"> 3.7147e+000 </SymmetricFigureOfMeritWolff>
1136- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1137- <NumberOfMillerIndicesInRange> 7.8500e+001 </NumberOfMillerIndicesInRange>
1138- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1139- <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone>
1140-
1141- <NumberOfLatticesInNeighborhood> 15 </NumberOfLatticesInNeighborhood>
1142-
1143- <EquivalentLatticeCandidates>
1144- <LatticeCandidate>
1145- <CrystalSystem> Rhombohedral </CrystalSystem>
1146- <LatticeParameters> 2.6456e+001 2.6456e+001 1.3343e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1147- </LatticeCandidate>
1148- <LatticeCandidate>
1149- <CrystalSystem> Rhombohedral </CrystalSystem>
1150- <LatticeParameters> 2.6456e+001 2.6456e+001 1.3593e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1151- </LatticeCandidate>
1152- <LatticeCandidate>
1153- <CrystalSystem> Rhombohedral </CrystalSystem>
1154- <LatticeParameters> 2.1262e+001 2.1262e+001 1.6469e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1155- </LatticeCandidate>
1156- <LatticeCandidate>
1157- <CrystalSystem> Rhombohedral </CrystalSystem>
1158- <LatticeParameters> 2.1262e+001 2.1262e+001 1.4019e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1159- </LatticeCandidate>
1160- <LatticeCandidate>
1161- <CrystalSystem> Rhombohedral </CrystalSystem>
1162- <LatticeParameters> 2.1671e+001 2.1671e+001 1.6800e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1163- </LatticeCandidate>
1164- <LatticeCandidate>
1165- <CrystalSystem> Rhombohedral </CrystalSystem>
1166- <LatticeParameters> 2.1671e+001 2.1671e+001 1.3935e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1167- </LatticeCandidate>
1168- <LatticeCandidate>
1169- <CrystalSystem> Rhombohedral </CrystalSystem>
1170- <LatticeParameters> 2.1074e+001 2.1074e+001 1.7506e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1171- </LatticeCandidate>
1172- <LatticeCandidate>
1173- <CrystalSystem> Rhombohedral </CrystalSystem>
1174- <LatticeParameters> 2.1074e+001 2.1074e+001 1.4642e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1175- </LatticeCandidate>
1176- <LatticeCandidate>
1177- <CrystalSystem> Rhombohedral </CrystalSystem>
1178- <LatticeParameters> 1.6168e+001 1.6168e+001 3.7054e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1179- </LatticeCandidate>
1180- <LatticeCandidate>
1181- <CrystalSystem> Rhombohedral </CrystalSystem>
1182- <LatticeParameters> 1.5615e+001 1.5615e+001 3.8481e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1183- </LatticeCandidate>
1184- <LatticeCandidate>
1185- <CrystalSystem> Rhombohedral </CrystalSystem>
1186- <LatticeParameters> 1.4702e+001 1.4702e+001 3.8481e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1187- </LatticeCandidate>
1188- <LatticeCandidate>
1189- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1190- <LatticeParameters> 1.9771e+001 2.0393e+001 2.7181e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1191- </LatticeCandidate>
1192- <LatticeCandidate>
1193- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1194- <LatticeParameters> 1.5818e+001 2.5654e+001 2.5654e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1195- </LatticeCandidate>
1196- <LatticeCandidate>
1197- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1198- <LatticeParameters> 1.5818e+001 1.6856e+001 1.9771e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1199- </LatticeCandidate>
1200- <LatticeCandidate>
1201- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1202- <LatticeParameters> 1.4195e+001 1.4195e+001 2.7181e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1203- </LatticeCandidate>
1204- <LatticeCandidate>
1205- <CrystalSystem> Triclinic </CrystalSystem>
1206- <LatticeParameters> 1.4218e+001 1.4218e+001 1.6478e+001 6.6019e+001 6.6019e+001 8.8100e+001 </LatticeParameters>
1207- </LatticeCandidate>
1208- </EquivalentLatticeCandidates>
1209-
1210- </LatticeCandidate>
1211-
1212- <LatticeCandidate number="03066257">
1213- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1214-
1215- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1216- <ReducedLatticeParameters> 4.0802e+000 1.3682e+001 1.2266e+001 9.0000e+001 9.2550e+001 9.0000e+001 </ReducedLatticeParameters>
1217- <OptimizedLatticeParameters> 4.0802e+000 1.3682e+001 1.2266e+001 9.0000e+001 9.2550e+001 9.0000e+001 </OptimizedLatticeParameters>
1218-
1219- <VolumeOfUnitCell> 6.8408e+002 </VolumeOfUnitCell>
1220- <FigureOfMeritWolff name="M20"> 3.0587e+000 </FigureOfMeritWolff>
1221- <FigureOfMeritWu name="Mwu20"> 2.1780e+000 </FigureOfMeritWu>
1222- <ReversedFigureOfMeritWolff name="Mrev20"> 3.0897e+000 </ReversedFigureOfMeritWolff>
1223- <SymmetricFigureOfMeritWolff name="Msym20"> 9.4505e+000 </SymmetricFigureOfMeritWolff>
1224- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1225- <NumberOfMillerIndicesInRange> 1.4000e+001 </NumberOfMillerIndicesInRange>
1226- <NumberOfIndexedPeaks> 12 </NumberOfIndexedPeaks>
1227- <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone>
1228-
1229- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
1230-
1231- <EquivalentLatticeCandidates>
1232- <LatticeCandidate>
1233- <CrystalSystem> Triclinic </CrystalSystem>
1234- <LatticeParameters> 4.0802e+000 7.1389e+000 1.2266e+001 8.9272e+001 8.7450e+001 7.3395e+001 </LatticeParameters>
1235- </LatticeCandidate>
1236- </EquivalentLatticeCandidates>
1237-
1238- </LatticeCandidate>
1239-
1240- <LatticeCandidate number="03028048">
1241- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1242-
1243- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1244- <ReducedLatticeParameters> 4.0125e+001 3.0493e+000 3.2742e+001 9.0000e+001 1.1000e+002 9.0000e+001 </ReducedLatticeParameters>
1245- <OptimizedLatticeParameters> 4.0125e+001 3.0493e+000 3.2742e+001 9.0000e+001 1.1000e+002 9.0000e+001 </OptimizedLatticeParameters>
1246-
1247- <VolumeOfUnitCell> 3.7644e+003 </VolumeOfUnitCell>
1248- <FigureOfMeritWolff name="M20"> 3.0509e+000 </FigureOfMeritWolff>
1249- <FigureOfMeritWu name="Mwu20"> 2.6946e+000 </FigureOfMeritWu>
1250- <ReversedFigureOfMeritWolff name="Mrev20"> 1.4718e+000 </ReversedFigureOfMeritWolff>
1251- <SymmetricFigureOfMeritWolff name="Msym20"> 4.4903e+000 </SymmetricFigureOfMeritWolff>
1252- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1253- <NumberOfMillerIndicesInRange> 7.2500e+001 </NumberOfMillerIndicesInRange>
1254- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1255- <NumberOfPeaksNecessaryToResolveDominantZone> 43 </NumberOfPeaksNecessaryToResolveDominantZone>
1256-
1257- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
1258-
1259- <EquivalentLatticeCandidates>
1260- <LatticeCandidate>
1261- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1262- <LatticeParameters> 3.0492e+000 2.9252e+001 3.7709e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1263- </LatticeCandidate>
1264- <LatticeCandidate>
1265- <CrystalSystem> Triclinic </CrystalSystem>
1266- <LatticeParameters> 3.0492e+000 2.0132e+001 3.2030e+001 1.0575e+002 9.2728e+001 9.4343e+001 </LatticeParameters>
1267- </LatticeCandidate>
1268- </EquivalentLatticeCandidates>
1269-
1270- </LatticeCandidate>
1271-
1272- <LatticeCandidate number="03066223">
1273- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1274-
1275- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1276- <ReducedLatticeParameters> 1.9360e+001 4.0542e+000 9.1858e+000 9.0000e+001 1.0741e+002 9.0000e+001 </ReducedLatticeParameters>
1277- <OptimizedLatticeParameters> 1.9360e+001 4.0542e+000 9.1858e+000 9.0000e+001 1.0741e+002 9.0000e+001 </OptimizedLatticeParameters>
1278-
1279- <VolumeOfUnitCell> 6.8793e+002 </VolumeOfUnitCell>
1280- <FigureOfMeritWolff name="M20"> 3.0477e+000 </FigureOfMeritWolff>
1281- <FigureOfMeritWu name="Mwu20"> 2.2761e+000 </FigureOfMeritWu>
1282- <ReversedFigureOfMeritWolff name="Mrev20"> 2.8753e+000 </ReversedFigureOfMeritWolff>
1283- <SymmetricFigureOfMeritWolff name="Msym20"> 8.7630e+000 </SymmetricFigureOfMeritWolff>
1284- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1285- <NumberOfMillerIndicesInRange> 1.7500e+001 </NumberOfMillerIndicesInRange>
1286- <NumberOfIndexedPeaks> 14 </NumberOfIndexedPeaks>
1287- <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone>
1288-
1289- <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood>
1290-
1291- <EquivalentLatticeCandidates>
1292- <LatticeCandidate>
1293- <CrystalSystem> Triclinic </CrystalSystem>
1294- <LatticeParameters> 4.0546e+000 9.1825e+000 9.8895e+000 7.3115e+001 7.8171e+001 9.0000e+001 </LatticeParameters>
1295- </LatticeCandidate>
1296- </EquivalentLatticeCandidates>
1297-
1298- </LatticeCandidate>
1299-
1300- <LatticeCandidate number="03034242">
1301- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1302-
1303- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1304- <ReducedLatticeParameters> 4.9488e+000 1.0216e+002 5.7477e+000 9.0000e+001 1.0990e+002 9.0000e+001 </ReducedLatticeParameters>
1305- <OptimizedLatticeParameters> 4.9488e+000 1.0216e+002 5.7477e+000 9.0000e+001 1.0990e+002 9.0000e+001 </OptimizedLatticeParameters>
1306-
1307- <VolumeOfUnitCell> 2.7324e+003 </VolumeOfUnitCell>
1308- <FigureOfMeritWolff name="M20"> 3.0179e+000 </FigureOfMeritWolff>
1309- <FigureOfMeritWu name="Mwu20"> 2.7915e+000 </FigureOfMeritWu>
1310- <ReversedFigureOfMeritWolff name="Mrev20"> 2.4536e+000 </ReversedFigureOfMeritWolff>
1311- <SymmetricFigureOfMeritWolff name="Msym20"> 7.4047e+000 </SymmetricFigureOfMeritWolff>
1312- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1313- <NumberOfMillerIndicesInRange> 3.4000e+001 </NumberOfMillerIndicesInRange>
1314- <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks>
1315- <NumberOfPeaksNecessaryToResolveDominantZone> 19 </NumberOfPeaksNecessaryToResolveDominantZone>
1316-
1317- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
1318-
1319- <EquivalentLatticeCandidates>
1320- <LatticeCandidate>
1321- <CrystalSystem> Rhombohedral </CrystalSystem>
1322- <LatticeParameters> 1.0184e+001 1.0184e+001 5.7431e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1323- </LatticeCandidate>
1324- <LatticeCandidate>
1325- <CrystalSystem> Rhombohedral </CrystalSystem>
1326- <LatticeParameters> 5.7661e+000 5.7661e+000 1.5319e+002 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1327- </LatticeCandidate>
1328- <LatticeCandidate>
1329- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1330- <LatticeParameters> 4.9265e+000 1.0839e+001 1.0213e+002 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1331- </LatticeCandidate>
1332- <LatticeCandidate>
1333- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1334- <LatticeParameters> 5.5746e+000 9.2281e+000 9.3043e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1335- </LatticeCandidate>
1336- <LatticeCandidate>
1337- <CrystalSystem> Triclinic </CrystalSystem>
1338- <LatticeParameters> 4.9494e+000 5.7601e+000 5.1124e+001 8.9061e+001 8.7225e+001 7.0206e+001 </LatticeParameters>
1339- </LatticeCandidate>
1340- </EquivalentLatticeCandidates>
1341-
1342- </LatticeCandidate>
1343-
1344-
1345-
1346- <!-- Candidates for Monoclinic(P) -->
1347-
1348- <LatticeCandidate number="02015609">
1349- <CrystalSystem> Monoclinic(P) </CrystalSystem>
1350-
1351- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1352- <ReducedLatticeParameters> 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 </ReducedLatticeParameters>
1353- <OptimizedLatticeParameters> 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 </OptimizedLatticeParameters>
1354-
1355- <VolumeOfUnitCell> 8.1561e+002 </VolumeOfUnitCell>
1356- <FigureOfMeritWolff name="M20"> 2.7514e+002 </FigureOfMeritWolff>
1357- <FigureOfMeritWu name="Mwu20"> 2.0636e+002 </FigureOfMeritWu>
1358- <ReversedFigureOfMeritWolff name="Mrev20"> 3.8134e+000 </ReversedFigureOfMeritWolff>
1359- <SymmetricFigureOfMeritWolff name="Msym20"> 1.0492e+003 </SymmetricFigureOfMeritWolff>
1360- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1361- <NumberOfMillerIndicesInRange> 2.6500e+001 </NumberOfMillerIndicesInRange>
1362- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1363- <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone>
1364-
1365- <NumberOfLatticesInNeighborhood> 16 </NumberOfLatticesInNeighborhood>
1366-
1367- <EquivalentLatticeCandidates>
1368- </EquivalentLatticeCandidates>
1369-
1370- </LatticeCandidate>
1371-
1372- <LatticeCandidate number="02011452">
1373- <CrystalSystem> Monoclinic(P) </CrystalSystem>
1374-
1375- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1376- <ReducedLatticeParameters> 8.1006e+000 6.4305e+000 2.3837e+001 9.0000e+001 9.3591e+001 9.0000e+001 </ReducedLatticeParameters>
1377- <OptimizedLatticeParameters> 8.1006e+000 6.4305e+000 2.3837e+001 9.0000e+001 9.3591e+001 9.0000e+001 </OptimizedLatticeParameters>
1378-
1379- <VolumeOfUnitCell> 1.2393e+003 </VolumeOfUnitCell>
1380- <FigureOfMeritWolff name="M20"> 3.8018e+000 </FigureOfMeritWolff>
1381- <FigureOfMeritWu name="Mwu20"> 3.5255e+000 </FigureOfMeritWu>
1382- <ReversedFigureOfMeritWolff name="Mrev20"> 2.2516e+000 </ReversedFigureOfMeritWolff>
1383- <SymmetricFigureOfMeritWolff name="Msym20"> 8.5603e+000 </SymmetricFigureOfMeritWolff>
1384- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1385- <NumberOfMillerIndicesInRange> 4.6000e+001 </NumberOfMillerIndicesInRange>
1386- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1387- <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone>
1388-
1389- <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood>
1390-
1391- <EquivalentLatticeCandidates>
1392- <LatticeCandidate>
1393- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1394- <LatticeParameters> 6.3770e+000 4.7394e+001 8.0893e+000 9.0000e+001 9.0462e+001 9.0000e+001 </LatticeParameters>
1395- </LatticeCandidate>
1396- <LatticeCandidate>
1397- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1398- <LatticeParameters> 1.0079e+001 1.0072e+001 2.3713e+001 9.0000e+001 9.2136e+001 9.0000e+001 </LatticeParameters>
1399- </LatticeCandidate>
1400- <LatticeCandidate>
1401- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1402- <LatticeParameters> 1.0079e+001 9.9276e+000 2.4058e+001 9.0000e+001 9.9947e+001 9.0000e+001 </LatticeParameters>
1403- </LatticeCandidate>
1404- <LatticeCandidate>
1405- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1406- <LatticeParameters> 8.0541e+000 4.7394e+001 6.4353e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1407- </LatticeCandidate>
1408- <LatticeCandidate>
1409- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1410- <LatticeParameters> 1.0200e+001 4.7394e+001 6.3775e+000 9.0000e+001 1.2785e+002 9.0000e+001 </LatticeParameters>
1411- </LatticeCandidate>
1412- </EquivalentLatticeCandidates>
1413-
1414- </LatticeCandidate>
1415-
1416- <LatticeCandidate number="02011366">
1417- <CrystalSystem> Monoclinic(P) </CrystalSystem>
1418-
1419- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1420- <ReducedLatticeParameters> 1.7583e+001 4.2265e+000 1.8067e+001 9.0000e+001 1.1239e+002 9.0000e+001 </ReducedLatticeParameters>
1421- <OptimizedLatticeParameters> 1.7583e+001 4.2265e+000 1.8067e+001 9.0000e+001 1.1239e+002 9.0000e+001 </OptimizedLatticeParameters>
1422-
1423- <VolumeOfUnitCell> 1.2415e+003 </VolumeOfUnitCell>
1424- <FigureOfMeritWolff name="M20"> 3.7779e+000 </FigureOfMeritWolff>
1425- <FigureOfMeritWu name="Mwu20"> 2.8661e+000 </FigureOfMeritWu>
1426- <ReversedFigureOfMeritWolff name="Mrev20"> 1.8305e+000 </ReversedFigureOfMeritWolff>
1427- <SymmetricFigureOfMeritWolff name="Msym20"> 6.9154e+000 </SymmetricFigureOfMeritWolff>
1428- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1429- <NumberOfMillerIndicesInRange> 5.6000e+001 </NumberOfMillerIndicesInRange>
1430- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1431- <NumberOfPeaksNecessaryToResolveDominantZone> 22 </NumberOfPeaksNecessaryToResolveDominantZone>
1432-
1433- <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood>
1434-
1435- <EquivalentLatticeCandidates>
1436- <LatticeCandidate>
1437- <CrystalSystem> Rhombohedral </CrystalSystem>
1438- <LatticeParameters> 3.2475e+001 3.2475e+001 4.1968e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1439- </LatticeCandidate>
1440- <LatticeCandidate>
1441- <CrystalSystem> Rhombohedral </CrystalSystem>
1442- <LatticeParameters> 3.2475e+001 3.2475e+001 4.1871e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1443- </LatticeCandidate>
1444- <LatticeCandidate>
1445- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1446- <LatticeParameters> 3.6046e+001 4.2054e+000 1.7579e+001 9.0000e+001 1.1236e+002 9.0000e+001 </LatticeParameters>
1447- </LatticeCandidate>
1448- <LatticeCandidate>
1449- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1450- <LatticeParameters> 1.9811e+001 2.9568e+001 4.2393e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1451- </LatticeCandidate>
1452- <LatticeCandidate>
1453- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1454- <LatticeParameters> 2.0235e+001 2.9568e+001 4.1964e+000 9.0000e+001 1.0175e+002 9.0000e+001 </LatticeParameters>
1455- </LatticeCandidate>
1456- <LatticeCandidate>
1457- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1458- <LatticeParameters> 1.7842e+001 3.2514e+001 4.2393e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1459- </LatticeCandidate>
1460- <LatticeCandidate>
1461- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1462- <LatticeParameters> 1.8258e+001 3.2514e+001 4.2044e+000 9.0000e+001 1.0226e+002 9.0000e+001 </LatticeParameters>
1463- </LatticeCandidate>
1464- </EquivalentLatticeCandidates>
1465-
1466- </LatticeCandidate>
1467-
1468- <LatticeCandidate number="02012431">
1469- <CrystalSystem> Monoclinic(P) </CrystalSystem>
1470-
1471- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1472- <ReducedLatticeParameters> 4.0276e+000 6.3820e+000 4.4594e+001 9.0000e+001 9.1099e+001 9.0000e+001 </ReducedLatticeParameters>
1473- <OptimizedLatticeParameters> 4.0276e+000 6.3820e+000 4.4594e+001 9.0000e+001 9.1099e+001 9.0000e+001 </OptimizedLatticeParameters>
1474-
1475- <VolumeOfUnitCell> 1.1460e+003 </VolumeOfUnitCell>
1476- <FigureOfMeritWolff name="M20"> 3.5907e+000 </FigureOfMeritWolff>
1477- <FigureOfMeritWu name="Mwu20"> 3.0487e+000 </FigureOfMeritWu>
1478- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5614e+000 </ReversedFigureOfMeritWolff>
1479- <SymmetricFigureOfMeritWolff name="Msym20"> 5.6065e+000 </SymmetricFigureOfMeritWolff>
1480- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1481- <NumberOfMillerIndicesInRange> 5.3000e+001 </NumberOfMillerIndicesInRange>
1482- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1483- <NumberOfPeaksNecessaryToResolveDominantZone> 35 </NumberOfPeaksNecessaryToResolveDominantZone>
1484-
1485- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
1486-
1487- <EquivalentLatticeCandidates>
1488- <LatticeCandidate>
1489- <CrystalSystem> Rhombohedral </CrystalSystem>
1490- <LatticeParameters> 5.5608e+000 5.5608e+000 1.3389e+002 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
1491- </LatticeCandidate>
1492- <LatticeCandidate>
1493- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1494- <LatticeParameters> 6.8000e+000 8.0562e+000 1.2634e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1495- </LatticeCandidate>
1496- <LatticeCandidate>
1497- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1498- <LatticeParameters> 3.8404e+000 1.2763e+001 8.9261e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1499- </LatticeCandidate>
1500- <LatticeCandidate>
1501- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1502- <LatticeParameters> 1.2763e+001 3.8404e+000 4.5084e+001 9.0000e+001 9.8137e+001 9.0000e+001 </LatticeParameters>
1503- </LatticeCandidate>
1504- <LatticeCandidate>
1505- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1506- <LatticeParameters> 6.8132e+000 6.8125e+000 4.4635e+001 9.0000e+001 9.0806e+001 9.0000e+001 </LatticeParameters>
1507- </LatticeCandidate>
1508- <LatticeCandidate>
1509- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1510- <LatticeParameters> 6.8132e+000 6.8000e+000 4.4717e+001 9.0000e+001 9.3563e+001 9.0000e+001 </LatticeParameters>
1511- </LatticeCandidate>
1512- <LatticeCandidate>
1513- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1514- <LatticeParameters> 6.3651e+000 8.9261e+001 4.0281e+000 9.0000e+001 9.0068e+001 9.0000e+001 </LatticeParameters>
1515- </LatticeCandidate>
1516- <LatticeCandidate>
1517- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1518- <LatticeParameters> 7.5251e+000 8.9261e+001 4.0271e+000 9.0000e+001 1.2224e+002 9.0000e+001 </LatticeParameters>
1519- </LatticeCandidate>
1520- <LatticeCandidate>
1521- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1522- <LatticeParameters> 4.0270e+000 8.9261e+001 6.3813e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1523- </LatticeCandidate>
1524- <LatticeCandidate>
1525- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1526- <LatticeParameters> 3.8418e+000 1.2763e+001 4.4636e+001 9.0000e+001 9.0909e+001 9.0000e+001 </LatticeParameters>
1527- </LatticeCandidate>
1528- </EquivalentLatticeCandidates>
1529-
1530- </LatticeCandidate>
1531-
1532- <LatticeCandidate number="02012051">
1533- <CrystalSystem> Monoclinic(P) </CrystalSystem>
1534-
1535- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1536- <ReducedLatticeParameters> 4.1485e+000 1.2923e+001 2.1952e+001 9.0000e+001 9.3278e+001 9.0000e+001 </ReducedLatticeParameters>
1537- <OptimizedLatticeParameters> 4.1485e+000 1.2923e+001 2.1952e+001 9.0000e+001 9.3278e+001 9.0000e+001 </OptimizedLatticeParameters>
1538-
1539- <VolumeOfUnitCell> 1.1749e+003 </VolumeOfUnitCell>
1540- <FigureOfMeritWolff name="M20"> 3.2163e+000 </FigureOfMeritWolff>
1541- <FigureOfMeritWu name="Mwu20"> 2.4771e+000 </FigureOfMeritWu>
1542- <ReversedFigureOfMeritWolff name="Mrev20"> 1.6514e+000 </ReversedFigureOfMeritWolff>
1543- <SymmetricFigureOfMeritWolff name="Msym20"> 5.3116e+000 </SymmetricFigureOfMeritWolff>
1544- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1545- <NumberOfMillerIndicesInRange> 4.5000e+001 </NumberOfMillerIndicesInRange>
1546- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1547- <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone>
1548-
1549- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
1550-
1551- <EquivalentLatticeCandidates>
1552- <LatticeCandidate>
1553- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1554- <LatticeParameters> 4.0966e+000 2.5845e+001 4.3885e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1555- </LatticeCandidate>
1556- <LatticeCandidate>
1557- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1558- <LatticeParameters> 2.5845e+001 4.0966e+000 2.5465e+001 9.0000e+001 1.2049e+002 9.0000e+001 </LatticeParameters>
1559- </LatticeCandidate>
1560- <LatticeCandidate>
1561- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1562- <LatticeParameters> 4.0989e+000 2.5845e+001 2.1982e+001 9.0000e+001 9.3422e+001 9.0000e+001 </LatticeParameters>
1563- </LatticeCandidate>
1564- <LatticeCandidate>
1565- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1566- <LatticeParameters> 4.1491e+000 4.3885e+001 1.2922e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1567- </LatticeCandidate>
1568- </EquivalentLatticeCandidates>
1569-
1570- </LatticeCandidate>
1571-
1572- <LatticeCandidate number="0208189">
1573- <CrystalSystem> Monoclinic(P) </CrystalSystem>
1574-
1575- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1576- <ReducedLatticeParameters> 1.5633e+001 2.8853e+000 4.0700e+001 9.0000e+001 9.0429e+001 9.0000e+001 </ReducedLatticeParameters>
1577- <OptimizedLatticeParameters> 1.5633e+001 2.8853e+000 4.0700e+001 9.0000e+001 9.0429e+001 9.0000e+001 </OptimizedLatticeParameters>
1578-
1579- <VolumeOfUnitCell> 1.8358e+003 </VolumeOfUnitCell>
1580- <FigureOfMeritWolff name="M20"> 3.1882e+000 </FigureOfMeritWolff>
1581- <FigureOfMeritWu name="Mwu20"> 3.1055e+000 </FigureOfMeritWu>
1582- <ReversedFigureOfMeritWolff name="Mrev20"> 1.4844e+000 </ReversedFigureOfMeritWolff>
1583- <SymmetricFigureOfMeritWolff name="Msym20"> 4.7325e+000 </SymmetricFigureOfMeritWolff>
1584- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1585- <NumberOfMillerIndicesInRange> 6.9000e+001 </NumberOfMillerIndicesInRange>
1586- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1587- <NumberOfPeaksNecessaryToResolveDominantZone> 50 </NumberOfPeaksNecessaryToResolveDominantZone>
1588-
1589- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
1590-
1591- <EquivalentLatticeCandidates>
1592- <LatticeCandidate>
1593- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
1594- <LatticeParameters> 2.8797e+000 1.5366e+001 8.1412e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1595- </LatticeCandidate>
1596- <LatticeCandidate>
1597- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1598- <LatticeParameters> 8.1412e+001 1.5366e+001 2.8815e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1599- </LatticeCandidate>
1600- <LatticeCandidate>
1601- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1602- <LatticeParameters> 8.1413e+001 2.8797e+000 1.5633e+001 9.0000e+001 9.0268e+001 9.0000e+001 </LatticeParameters>
1603- </LatticeCandidate>
1604- <LatticeCandidate>
1605- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1606- <LatticeParameters> 2.4852e+001 3.1266e+001 2.8815e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1607- </LatticeCandidate>
1608- <LatticeCandidate>
1609- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1610- <LatticeParameters> 2.4875e+001 3.1266e+001 2.8769e+000 9.0000e+001 9.2456e+001 9.0000e+001 </LatticeParameters>
1611- </LatticeCandidate>
1612- <LatticeCandidate>
1613- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1614- <LatticeParameters> 1.5615e+001 8.1412e+001 2.8797e+000 9.0000e+001 1.0025e+002 9.0000e+001 </LatticeParameters>
1615- </LatticeCandidate>
1616- <LatticeCandidate>
1617- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1618- <LatticeParameters> 2.8799e+000 3.1266e+001 1.4670e+001 9.0000e+001 9.4914e+001 9.0000e+001 </LatticeParameters>
1619- </LatticeCandidate>
1620- <LatticeCandidate>
1621- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1622- <LatticeParameters> 2.8797e+000 2.9233e+001 1.5699e+001 9.0000e+001 9.5253e+001 9.0000e+001 </LatticeParameters>
1623- </LatticeCandidate>
1624- </EquivalentLatticeCandidates>
1625-
1626- </LatticeCandidate>
1627-
1628- <LatticeCandidate number="0209363">
1629- <CrystalSystem> Monoclinic(P) </CrystalSystem>
1630-
1631- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1632- <ReducedLatticeParameters> 7.5017e+000 4.3802e+000 4.7608e+001 9.0000e+001 9.3237e+001 9.0000e+001 </ReducedLatticeParameters>
1633- <OptimizedLatticeParameters> 7.5017e+000 4.3802e+000 4.7608e+001 9.0000e+001 9.3237e+001 9.0000e+001 </OptimizedLatticeParameters>
1634-
1635- <VolumeOfUnitCell> 1.5619e+003 </VolumeOfUnitCell>
1636- <FigureOfMeritWolff name="M20"> 3.0741e+000 </FigureOfMeritWolff>
1637- <FigureOfMeritWu name="Mwu20"> 2.6084e+000 </FigureOfMeritWu>
1638- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5112e+000 </ReversedFigureOfMeritWolff>
1639- <SymmetricFigureOfMeritWolff name="Msym20"> 4.6456e+000 </SymmetricFigureOfMeritWolff>
1640- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1641- <NumberOfMillerIndicesInRange> 6.7500e+001 </NumberOfMillerIndicesInRange>
1642- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1643- <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone>
1644-
1645- <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood>
1646-
1647- <EquivalentLatticeCandidates>
1648- <LatticeCandidate>
1649- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1650- <LatticeParameters> 7.5038e+000 9.5042e+001 4.3713e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1651- </LatticeCandidate>
1652- <LatticeCandidate>
1653- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1654- <LatticeParameters> 8.6780e+000 9.5042e+001 4.3667e+000 9.0000e+001 1.2015e+002 9.0000e+001 </LatticeParameters>
1655- </LatticeCandidate>
1656- <LatticeCandidate>
1657- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1658- <LatticeParameters> 4.3667e+000 9.5042e+001 7.4936e+000 9.0000e+001 9.0149e+001 9.0000e+001 </LatticeParameters>
1659- </LatticeCandidate>
1660- </EquivalentLatticeCandidates>
1661-
1662- </LatticeCandidate>
1663-
1664- <LatticeCandidate number="02016808">
1665- <CrystalSystem> Monoclinic(P) </CrystalSystem>
1666-
1667- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1668- <ReducedLatticeParameters> 1.4907e+001 2.9677e+000 1.6630e+001 9.0000e+001 1.0359e+002 9.0000e+001 </ReducedLatticeParameters>
1669- <OptimizedLatticeParameters> 1.4907e+001 2.9677e+000 1.6630e+001 9.0000e+001 1.0359e+002 9.0000e+001 </OptimizedLatticeParameters>
1670-
1671- <VolumeOfUnitCell> 7.1509e+002 </VolumeOfUnitCell>
1672- <FigureOfMeritWolff name="M20"> 3.0412e+000 </FigureOfMeritWolff>
1673- <FigureOfMeritWu name="Mwu20"> 2.7889e+000 </FigureOfMeritWu>
1674- <ReversedFigureOfMeritWolff name="Mrev20"> 2.6549e+000 </ReversedFigureOfMeritWolff>
1675- <SymmetricFigureOfMeritWolff name="Msym20"> 8.0741e+000 </SymmetricFigureOfMeritWolff>
1676- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1677- <NumberOfMillerIndicesInRange> 2.7000e+001 </NumberOfMillerIndicesInRange>
1678- <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks>
1679- <NumberOfPeaksNecessaryToResolveDominantZone> 48 </NumberOfPeaksNecessaryToResolveDominantZone>
1680-
1681- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
1682-
1683- <EquivalentLatticeCandidates>
1684- </EquivalentLatticeCandidates>
1685-
1686- </LatticeCandidate>
1687-
1688- <LatticeCandidate number="02014124">
1689- <CrystalSystem> Monoclinic(P) </CrystalSystem>
1690-
1691- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1692- <ReducedLatticeParameters> 1.1296e+001 3.1994e+000 2.7149e+001 9.0000e+001 1.0001e+002 9.0000e+001 </ReducedLatticeParameters>
1693- <OptimizedLatticeParameters> 1.1296e+001 3.1994e+000 2.7149e+001 9.0000e+001 1.0001e+002 9.0000e+001 </OptimizedLatticeParameters>
1694-
1695- <VolumeOfUnitCell> 9.6625e+002 </VolumeOfUnitCell>
1696- <FigureOfMeritWolff name="M20"> 3.0263e+000 </FigureOfMeritWolff>
1697- <FigureOfMeritWu name="Mwu20"> 2.4392e+000 </FigureOfMeritWu>
1698- <ReversedFigureOfMeritWolff name="Mrev20"> 1.6364e+000 </ReversedFigureOfMeritWolff>
1699- <SymmetricFigureOfMeritWolff name="Msym20"> 4.9523e+000 </SymmetricFigureOfMeritWolff>
1700- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1701- <NumberOfMillerIndicesInRange> 4.0500e+001 </NumberOfMillerIndicesInRange>
1702- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
1703- <NumberOfPeaksNecessaryToResolveDominantZone> 42 </NumberOfPeaksNecessaryToResolveDominantZone>
1704-
1705- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
1706-
1707- <EquivalentLatticeCandidates>
1708- <LatticeCandidate>
1709- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1710- <LatticeParameters> 1.1315e+001 5.3385e+001 3.1983e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1711- </LatticeCandidate>
1712- <LatticeCandidate>
1713- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1714- <LatticeParameters> 1.1751e+001 5.3385e+001 3.1926e+000 9.0000e+001 1.0565e+002 9.0000e+001 </LatticeParameters>
1715- </LatticeCandidate>
1716- <LatticeCandidate>
1717- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1718- <LatticeParameters> 2.2643e+001 3.1650e+000 2.7490e+001 9.0000e+001 1.0383e+002 9.0000e+001 </LatticeParameters>
1719- </LatticeCandidate>
1720- <LatticeCandidate>
1721- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1722- <LatticeParameters> 3.1669e+000 2.2293e+001 2.6701e+001 9.0000e+001 9.1425e+001 9.0000e+001 </LatticeParameters>
1723- </LatticeCandidate>
1724- </EquivalentLatticeCandidates>
1725-
1726- </LatticeCandidate>
1727-
1728- <LatticeCandidate number="02010734">
1729- <CrystalSystem> Monoclinic(P) </CrystalSystem>
1730-
1731- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1732- <ReducedLatticeParameters> 5.1423e+000 2.2495e+001 1.1313e+001 9.0000e+001 9.1370e+001 9.0000e+001 </ReducedLatticeParameters>
1733- <OptimizedLatticeParameters> 5.1423e+000 2.2495e+001 1.1313e+001 9.0000e+001 9.1370e+001 9.0000e+001 </OptimizedLatticeParameters>
1734-
1735- <VolumeOfUnitCell> 1.3083e+003 </VolumeOfUnitCell>
1736- <FigureOfMeritWolff name="M20"> 3.0156e+000 </FigureOfMeritWolff>
1737- <FigureOfMeritWu name="Mwu20"> 2.5478e+000 </FigureOfMeritWu>
1738- <ReversedFigureOfMeritWolff name="Mrev20"> 1.4932e+000 </ReversedFigureOfMeritWolff>
1739- <SymmetricFigureOfMeritWolff name="Msym20"> 4.5029e+000 </SymmetricFigureOfMeritWolff>
1740- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1741- <NumberOfMillerIndicesInRange> 4.0500e+001 </NumberOfMillerIndicesInRange>
1742- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
1743- <NumberOfPeaksNecessaryToResolveDominantZone> 16 </NumberOfPeaksNecessaryToResolveDominantZone>
1744-
1745- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
1746-
1747- <EquivalentLatticeCandidates>
1748- <LatticeCandidate>
1749- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1750- <LatticeParameters> 7.5822e+000 1.0249e+001 4.5061e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1751- </LatticeCandidate>
1752- <LatticeCandidate>
1753- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1754- <LatticeParameters> 1.0249e+001 7.5822e+000 2.3106e+001 9.0000e+001 1.0281e+002 9.0000e+001 </LatticeParameters>
1755- </LatticeCandidate>
1756- <LatticeCandidate>
1757- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1758- <LatticeParameters> 5.0933e+000 4.5061e+001 1.1335e+001 9.0000e+001 9.1340e+001 9.0000e+001 </LatticeParameters>
1759- </LatticeCandidate>
1760- <LatticeCandidate>
1761- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1762- <LatticeParameters> 9.2573e+000 9.2229e+000 2.3001e+001 9.0000e+001 1.0161e+002 9.0000e+001 </LatticeParameters>
1763- </LatticeCandidate>
1764- <LatticeCandidate>
1765- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1766- <LatticeParameters> 2.2663e+001 4.9931e+000 2.5220e+001 9.0000e+001 1.1670e+002 9.0000e+001 </LatticeParameters>
1767- </LatticeCandidate>
1768- <LatticeCandidate>
1769- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1770- <LatticeParameters> 9.4224e+000 9.2573e+000 2.2531e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1771- </LatticeCandidate>
1772- <LatticeCandidate>
1773- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1774- <LatticeParameters> 5.0240e+000 2.2663e+001 2.2531e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1775- </LatticeCandidate>
1776- <LatticeCandidate>
1777- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1778- <LatticeParameters> 1.0992e+001 4.5061e+001 5.1260e+000 9.0000e+001 9.1308e+001 9.0000e+001 </LatticeParameters>
1779- </LatticeCandidate>
1780- <LatticeCandidate>
1781- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1782- <LatticeParameters> 1.2089e+001 4.5061e+001 5.0919e+000 9.0000e+001 1.1463e+002 9.0000e+001 </LatticeParameters>
1783- </LatticeCandidate>
1784- <LatticeCandidate>
1785- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1786- <LatticeParameters> 7.6919e+000 1.0249e+001 2.2531e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1787- </LatticeCandidate>
1788- </EquivalentLatticeCandidates>
1789-
1790- </LatticeCandidate>
1791-
1792- <LatticeCandidate number="02021603">
1793- <CrystalSystem> Monoclinic(P) </CrystalSystem>
1794-
1795- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1796- <ReducedLatticeParameters> 4.1869e+000 3.4936e+000 2.4616e+001 9.0000e+001 9.1580e+001 9.0000e+001 </ReducedLatticeParameters>
1797- <OptimizedLatticeParameters> 4.1869e+000 3.4936e+000 2.4616e+001 9.0000e+001 9.1580e+001 9.0000e+001 </OptimizedLatticeParameters>
1798-
1799- <VolumeOfUnitCell> 3.5994e+002 </VolumeOfUnitCell>
1800- <FigureOfMeritWolff name="M20"> 3.0011e+000 </FigureOfMeritWolff>
1801- <FigureOfMeritWu name="Mwu20"> 2.1567e+000 </FigureOfMeritWu>
1802- <ReversedFigureOfMeritWolff name="Mrev20"> 2.5901e+000 </ReversedFigureOfMeritWolff>
1803- <SymmetricFigureOfMeritWolff name="Msym20"> 7.7730e+000 </SymmetricFigureOfMeritWolff>
1804- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1805- <NumberOfMillerIndicesInRange> 1.7000e+001 </NumberOfMillerIndicesInRange>
1806- <NumberOfIndexedPeaks> 12 </NumberOfIndexedPeaks>
1807- <NumberOfPeaksNecessaryToResolveDominantZone> 54 </NumberOfPeaksNecessaryToResolveDominantZone>
1808-
1809- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
1810-
1811- <EquivalentLatticeCandidates>
1812- </EquivalentLatticeCandidates>
1813-
1814- </LatticeCandidate>
1815-
1816-
1817-
1818- <!-- Candidates for Triclinic -->
1819-
1820- <LatticeCandidate number="0108579">
1821- <CrystalSystem> Triclinic </CrystalSystem>
1822-
1823- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1824- <ReducedLatticeParameters> 8.8192e+000 9.7563e+000 9.7825e+000 9.0000e+001 7.5698e+001 8.9997e+001 </ReducedLatticeParameters>
1825- <OptimizedLatticeParameters> 8.8192e+000 9.7825e+000 9.7563e+000 9.0000e+001 8.9997e+001 1.0430e+002 </OptimizedLatticeParameters>
1826-
1827- <VolumeOfUnitCell> 8.1563e+002 </VolumeOfUnitCell>
1828- <FigureOfMeritWolff name="M20"> 2.2124e+002 </FigureOfMeritWolff>
1829- <FigureOfMeritWu name="Mwu20"> 2.7497e+002 </FigureOfMeritWu>
1830- <ReversedFigureOfMeritWolff name="Mrev20"> 6.0387e+000 </ReversedFigureOfMeritWolff>
1831- <SymmetricFigureOfMeritWolff name="Msym20"> 1.3360e+003 </SymmetricFigureOfMeritWolff>
1832- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1833- <NumberOfMillerIndicesInRange> 4.4000e+001 </NumberOfMillerIndicesInRange>
1834- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1835- <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone>
1836-
1837- <NumberOfLatticesInNeighborhood> 16 </NumberOfLatticesInNeighborhood>
1838-
1839- <EquivalentLatticeCandidates>
1840- </EquivalentLatticeCandidates>
1841-
1842- </LatticeCandidate>
1843-
1844- <LatticeCandidate number="0103463">
1845- <CrystalSystem> Triclinic </CrystalSystem>
1846-
1847- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1848- <ReducedLatticeParameters> 6.9302e+000 1.4162e+001 1.9832e+001 8.8061e+001 8.2720e+001 8.1324e+001 </ReducedLatticeParameters>
1849- <OptimizedLatticeParameters> 6.9302e+000 1.4162e+001 1.9832e+001 8.8061e+001 8.2720e+001 8.1324e+001 </OptimizedLatticeParameters>
1850-
1851- <VolumeOfUnitCell> 1.9084e+003 </VolumeOfUnitCell>
1852- <FigureOfMeritWolff name="M20"> 6.1540e+000 </FigureOfMeritWolff>
1853- <FigureOfMeritWu name="Mwu20"> 6.4448e+000 </FigureOfMeritWu>
1854- <ReversedFigureOfMeritWolff name="Mrev20"> 1.4740e+000 </ReversedFigureOfMeritWolff>
1855- <SymmetricFigureOfMeritWolff name="Msym20"> 9.0710e+000 </SymmetricFigureOfMeritWolff>
1856- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1857- <NumberOfMillerIndicesInRange> 1.1200e+002 </NumberOfMillerIndicesInRange>
1858- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1859- <NumberOfPeaksNecessaryToResolveDominantZone> 10 </NumberOfPeaksNecessaryToResolveDominantZone>
1860-
1861- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
1862-
1863- <EquivalentLatticeCandidates>
1864- <LatticeCandidate>
1865- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1866- <LatticeParameters> 6.8945e+000 2.8042e+001 3.9400e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1867- </LatticeCandidate>
1868- <LatticeCandidate>
1869- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1870- <LatticeParameters> 2.8045e+001 6.8945e+000 2.4000e+001 9.0000e+001 1.2483e+002 9.0000e+001 </LatticeParameters>
1871- </LatticeCandidate>
1872- <LatticeCandidate>
1873- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1874- <LatticeParameters> 6.9018e+000 2.8042e+001 1.9864e+001 9.0000e+001 9.7367e+001 9.0000e+001 </LatticeParameters>
1875- </LatticeCandidate>
1876- <LatticeCandidate>
1877- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1878- <LatticeParameters> 6.9268e+000 3.9400e+001 1.4178e+001 9.0000e+001 9.8538e+001 9.0000e+001 </LatticeParameters>
1879- </LatticeCandidate>
1880- </EquivalentLatticeCandidates>
1881-
1882- </LatticeCandidate>
1883-
1884- <LatticeCandidate number="0103360">
1885- <CrystalSystem> Triclinic </CrystalSystem>
1886-
1887- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1888- <ReducedLatticeParameters> 5.1404e+000 8.4529e+000 4.5772e+001 9.4233e+001 9.2530e+001 9.6665e+001 </ReducedLatticeParameters>
1889- <OptimizedLatticeParameters> 5.1404e+000 8.4529e+000 4.5772e+001 9.4233e+001 9.2530e+001 9.6665e+001 </OptimizedLatticeParameters>
1890-
1891- <VolumeOfUnitCell> 1.9672e+003 </VolumeOfUnitCell>
1892- <FigureOfMeritWolff name="M20"> 5.6032e+000 </FigureOfMeritWolff>
1893- <FigureOfMeritWu name="Mwu20"> 4.6982e+000 </FigureOfMeritWu>
1894- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5877e+000 </ReversedFigureOfMeritWolff>
1895- <SymmetricFigureOfMeritWolff name="Msym20"> 8.8962e+000 </SymmetricFigureOfMeritWolff>
1896- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1897- <NumberOfMillerIndicesInRange> 1.0200e+002 </NumberOfMillerIndicesInRange>
1898- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1899- <NumberOfPeaksNecessaryToResolveDominantZone> 16 </NumberOfPeaksNecessaryToResolveDominantZone>
1900-
1901- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
1902-
1903- <EquivalentLatticeCandidates>
1904- <LatticeCandidate>
1905- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1906- <LatticeParameters> 1.6802e+001 5.0418e+000 4.5796e+001 9.0000e+001 9.6039e+001 9.0000e+001 </LatticeParameters>
1907- </LatticeCandidate>
1908- <LatticeCandidate>
1909- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1910- <LatticeParameters> 8.4583e+000 9.1083e+001 5.1236e+000 9.0000e+001 9.6704e+001 9.0000e+001 </LatticeParameters>
1911- </LatticeCandidate>
1912- <LatticeCandidate>
1913- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1914- <LatticeParameters> 9.3696e+000 9.1083e+001 5.1327e+000 9.0000e+001 1.1629e+002 9.0000e+001 </LatticeParameters>
1915- </LatticeCandidate>
1916- <LatticeCandidate>
1917- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1918- <LatticeParameters> 5.1322e+000 9.1083e+001 8.4317e+000 9.0000e+001 9.6627e+001 9.0000e+001 </LatticeParameters>
1919- </LatticeCandidate>
1920- </EquivalentLatticeCandidates>
1921-
1922- </LatticeCandidate>
1923-
1924- <LatticeCandidate number="01011428">
1925- <CrystalSystem> Triclinic </CrystalSystem>
1926-
1927- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1928- <ReducedLatticeParameters> 3.9470e+000 9.2759e+000 1.6668e+001 8.2530e+001 8.3536e+001 8.8668e+001 </ReducedLatticeParameters>
1929- <OptimizedLatticeParameters> 3.9470e+000 9.2759e+000 1.6668e+001 8.2530e+001 8.3536e+001 8.8668e+001 </OptimizedLatticeParameters>
1930-
1931- <VolumeOfUnitCell> 6.0120e+002 </VolumeOfUnitCell>
1932- <FigureOfMeritWolff name="M20"> 5.5067e+000 </FigureOfMeritWolff>
1933- <FigureOfMeritWu name="Mwu20"> 4.5273e+000 </FigureOfMeritWu>
1934- <ReversedFigureOfMeritWolff name="Mrev20"> 1.7272e+000 </ReversedFigureOfMeritWolff>
1935- <SymmetricFigureOfMeritWolff name="Msym20"> 9.5112e+000 </SymmetricFigureOfMeritWolff>
1936- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1937- <NumberOfMillerIndicesInRange> 4.4000e+001 </NumberOfMillerIndicesInRange>
1938- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1939- <NumberOfPeaksNecessaryToResolveDominantZone> 30 </NumberOfPeaksNecessaryToResolveDominantZone>
1940-
1941- <NumberOfLatticesInNeighborhood> 46 </NumberOfLatticesInNeighborhood>
1942-
1943- <EquivalentLatticeCandidates>
1944- </EquivalentLatticeCandidates>
1945-
1946- </LatticeCandidate>
1947-
1948- <LatticeCandidate number="01011776">
1949- <CrystalSystem> Triclinic </CrystalSystem>
1950-
1951- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1952- <ReducedLatticeParameters> 3.9695e+000 8.7404e+000 1.7356e+001 7.6878e+001 8.4510e+001 8.5844e+001 </ReducedLatticeParameters>
1953- <OptimizedLatticeParameters> 3.9695e+000 8.7404e+000 1.7356e+001 7.6878e+001 8.4510e+001 8.5844e+001 </OptimizedLatticeParameters>
1954-
1955- <VolumeOfUnitCell> 5.8295e+002 </VolumeOfUnitCell>
1956- <FigureOfMeritWolff name="M20"> 5.2238e+000 </FigureOfMeritWolff>
1957- <FigureOfMeritWu name="Mwu20"> 3.9569e+000 </FigureOfMeritWu>
1958- <ReversedFigureOfMeritWolff name="Mrev20"> 1.9012e+000 </ReversedFigureOfMeritWolff>
1959- <SymmetricFigureOfMeritWolff name="Msym20"> 9.9315e+000 </SymmetricFigureOfMeritWolff>
1960- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1961- <NumberOfMillerIndicesInRange> 4.0000e+001 </NumberOfMillerIndicesInRange>
1962- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
1963- <NumberOfPeaksNecessaryToResolveDominantZone> 29 </NumberOfPeaksNecessaryToResolveDominantZone>
1964-
1965- <NumberOfLatticesInNeighborhood> 37 </NumberOfLatticesInNeighborhood>
1966-
1967- <EquivalentLatticeCandidates>
1968- </EquivalentLatticeCandidates>
1969-
1970- </LatticeCandidate>
1971-
1972- <LatticeCandidate number="0103756">
1973- <CrystalSystem> Triclinic </CrystalSystem>
1974-
1975- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
1976- <ReducedLatticeParameters> 8.0626e+000 9.2967e+000 2.3901e+001 9.0343e+001 9.7594e+001 9.7107e+001 </ReducedLatticeParameters>
1977- <OptimizedLatticeParameters> 8.0626e+000 9.2967e+000 2.3901e+001 9.0343e+001 9.7594e+001 9.7107e+001 </OptimizedLatticeParameters>
1978-
1979- <VolumeOfUnitCell> 1.7617e+003 </VolumeOfUnitCell>
1980- <FigureOfMeritWolff name="M20"> 5.1983e+000 </FigureOfMeritWolff>
1981- <FigureOfMeritWu name="Mwu20"> 5.0403e+000 </FigureOfMeritWu>
1982- <ReversedFigureOfMeritWolff name="Mrev20"> 1.6428e+000 </ReversedFigureOfMeritWolff>
1983- <SymmetricFigureOfMeritWolff name="Msym20"> 8.5400e+000 </SymmetricFigureOfMeritWolff>
1984- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
1985- <NumberOfMillerIndicesInRange> 1.0100e+002 </NumberOfMillerIndicesInRange>
1986- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
1987- <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone>
1988-
1989- <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood>
1990-
1991- <EquivalentLatticeCandidates>
1992- <LatticeCandidate>
1993- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
1994- <LatticeParameters> 1.1300e+001 1.2871e+001 4.7394e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
1995- </LatticeCandidate>
1996- <LatticeCandidate>
1997- <CrystalSystem> Monoclinic(B) </CrystalSystem>
1998- <LatticeParameters> 1.8443e+001 7.7025e+000 2.5246e+001 9.0000e+001 1.1018e+002 9.0000e+001 </LatticeParameters>
1999- </LatticeCandidate>
2000- <LatticeCandidate>
2001- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2002- <LatticeParameters> 8.0647e+000 4.7394e+001 9.2934e+000 9.0000e+001 9.7246e+001 9.0000e+001 </LatticeParameters>
2003- </LatticeCandidate>
2004- </EquivalentLatticeCandidates>
2005-
2006- </LatticeCandidate>
2007-
2008- <LatticeCandidate number="0104708">
2009- <CrystalSystem> Triclinic </CrystalSystem>
2010-
2011- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2012- <ReducedLatticeParameters> 4.2651e+000 1.6273e+001 2.0431e+001 8.6848e+001 8.6010e+001 8.3632e+001 </ReducedLatticeParameters>
2013- <OptimizedLatticeParameters> 4.2651e+000 1.6273e+001 2.0431e+001 8.6848e+001 8.6010e+001 8.3632e+001 </OptimizedLatticeParameters>
2014-
2015- <VolumeOfUnitCell> 1.4043e+003 </VolumeOfUnitCell>
2016- <FigureOfMeritWolff name="M20"> 5.1743e+000 </FigureOfMeritWolff>
2017- <FigureOfMeritWu name="Mwu20"> 4.8717e+000 </FigureOfMeritWu>
2018- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5408e+000 </ReversedFigureOfMeritWolff>
2019- <SymmetricFigureOfMeritWolff name="Msym20"> 7.9725e+000 </SymmetricFigureOfMeritWolff>
2020- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2021- <NumberOfMillerIndicesInRange> 9.1000e+001 </NumberOfMillerIndicesInRange>
2022- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2023- <NumberOfPeaksNecessaryToResolveDominantZone> 20 </NumberOfPeaksNecessaryToResolveDominantZone>
2024-
2025- <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood>
2026-
2027- <EquivalentLatticeCandidates>
2028- </EquivalentLatticeCandidates>
2029-
2030- </LatticeCandidate>
2031-
2032- <LatticeCandidate number="0103675">
2033- <CrystalSystem> Triclinic </CrystalSystem>
2034-
2035- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2036- <ReducedLatticeParameters> 4.4877e+000 1.3747e+001 2.9262e+001 9.1112e+001 9.1690e+001 9.2896e+001 </ReducedLatticeParameters>
2037- <OptimizedLatticeParameters> 4.4877e+000 1.3747e+001 2.9262e+001 9.1112e+001 9.1690e+001 9.2896e+001 </OptimizedLatticeParameters>
2038-
2039- <VolumeOfUnitCell> 1.8017e+003 </VolumeOfUnitCell>
2040- <FigureOfMeritWolff name="M20"> 5.1122e+000 </FigureOfMeritWolff>
2041- <FigureOfMeritWu name="Mwu20"> 3.9626e+000 </FigureOfMeritWu>
2042- <ReversedFigureOfMeritWolff name="Mrev20"> 1.3403e+000 </ReversedFigureOfMeritWolff>
2043- <SymmetricFigureOfMeritWolff name="Msym20"> 6.8517e+000 </SymmetricFigureOfMeritWolff>
2044- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2045- <NumberOfMillerIndicesInRange> 1.0900e+002 </NumberOfMillerIndicesInRange>
2046- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2047- <NumberOfPeaksNecessaryToResolveDominantZone> 19 </NumberOfPeaksNecessaryToResolveDominantZone>
2048-
2049- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
2050-
2051- <EquivalentLatticeCandidates>
2052- <LatticeCandidate>
2053- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2054- <LatticeParameters> 2.7455e+001 4.4566e+000 3.2017e+001 9.0000e+001 1.1416e+002 9.0000e+001 </LatticeParameters>
2055- </LatticeCandidate>
2056- <LatticeCandidate>
2057- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2058- <LatticeParameters> 4.4620e+000 2.7448e+001 2.9224e+001 9.0000e+001 9.1563e+001 9.0000e+001 </LatticeParameters>
2059- </LatticeCandidate>
2060- <LatticeCandidate>
2061- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2062- <LatticeParameters> 4.4848e+000 5.8425e+001 1.3742e+001 9.0000e+001 9.2900e+001 9.0000e+001 </LatticeParameters>
2063- </LatticeCandidate>
2064- </EquivalentLatticeCandidates>
2065-
2066- </LatticeCandidate>
2067-
2068- <LatticeCandidate number="0104959">
2069- <CrystalSystem> Triclinic </CrystalSystem>
2070-
2071- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2072- <ReducedLatticeParameters> 4.3535e+000 1.4355e+001 2.1550e+001 8.7649e+001 8.9698e+001 8.3215e+001 </ReducedLatticeParameters>
2073- <OptimizedLatticeParameters> 4.3535e+000 1.4355e+001 2.1550e+001 9.2351e+001 8.9698e+001 9.6785e+001 </OptimizedLatticeParameters>
2074-
2075- <VolumeOfUnitCell> 1.3361e+003 </VolumeOfUnitCell>
2076- <FigureOfMeritWolff name="M20"> 5.0737e+000 </FigureOfMeritWolff>
2077- <FigureOfMeritWu name="Mwu20"> 4.3093e+000 </FigureOfMeritWu>
2078- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5609e+000 </ReversedFigureOfMeritWolff>
2079- <SymmetricFigureOfMeritWolff name="Msym20"> 7.9195e+000 </SymmetricFigureOfMeritWolff>
2080- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2081- <NumberOfMillerIndicesInRange> 8.5000e+001 </NumberOfMillerIndicesInRange>
2082- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2083- <NumberOfPeaksNecessaryToResolveDominantZone> 20 </NumberOfPeaksNecessaryToResolveDominantZone>
2084-
2085- <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood>
2086-
2087- <EquivalentLatticeCandidates>
2088- <LatticeCandidate>
2089- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2090- <LatticeParameters> 2.8518e+001 4.3473e+000 2.1563e+001 9.0000e+001 9.2294e+001 9.0000e+001 </LatticeParameters>
2091- </LatticeCandidate>
2092- </EquivalentLatticeCandidates>
2093-
2094- </LatticeCandidate>
2095-
2096- <LatticeCandidate number="0107148">
2097- <CrystalSystem> Triclinic </CrystalSystem>
2098-
2099- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2100- <ReducedLatticeParameters> 4.0182e+000 1.5186e+001 1.6140e+001 8.4870e+001 8.3523e+001 8.6176e+001 </ReducedLatticeParameters>
2101- <OptimizedLatticeParameters> 4.0182e+000 1.5186e+001 1.6140e+001 8.4870e+001 8.3523e+001 8.6176e+001 </OptimizedLatticeParameters>
2102-
2103- <VolumeOfUnitCell> 9.7307e+002 </VolumeOfUnitCell>
2104- <FigureOfMeritWolff name="M20"> 4.8081e+000 </FigureOfMeritWolff>
2105- <FigureOfMeritWu name="Mwu20"> 4.2168e+000 </FigureOfMeritWu>
2106- <ReversedFigureOfMeritWolff name="Mrev20"> 1.8864e+000 </ReversedFigureOfMeritWolff>
2107- <SymmetricFigureOfMeritWolff name="Msym20"> 9.0698e+000 </SymmetricFigureOfMeritWolff>
2108- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2109- <NumberOfMillerIndicesInRange> 7.0000e+001 </NumberOfMillerIndicesInRange>
2110- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2111- <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone>
2112-
2113- <NumberOfLatticesInNeighborhood> 7 </NumberOfLatticesInNeighborhood>
2114-
2115- <EquivalentLatticeCandidates>
2116- <LatticeCandidate>
2117- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2118- <LatticeParameters> 3.0314e+001 4.0112e+000 2.1126e+001 9.0000e+001 1.3082e+002 9.0000e+001 </LatticeParameters>
2119- </LatticeCandidate>
2120- <LatticeCandidate>
2121- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2122- <LatticeParameters> 4.0112e+000 3.0207e+001 1.6099e+001 9.0000e+001 9.6795e+001 9.0000e+001 </LatticeParameters>
2123- </LatticeCandidate>
2124- <LatticeCandidate>
2125- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2126- <LatticeParameters> 4.0197e+000 3.1972e+001 1.5138e+001 9.0000e+001 9.3881e+001 9.0000e+001 </LatticeParameters>
2127- </LatticeCandidate>
2128- </EquivalentLatticeCandidates>
2129-
2130- </LatticeCandidate>
2131-
2132- <LatticeCandidate number="0104909">
2133- <CrystalSystem> Triclinic </CrystalSystem>
2134-
2135- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2136- <ReducedLatticeParameters> 4.4202e+000 8.8478e+000 3.4607e+001 8.7168e+001 8.9305e+001 8.7068e+001 </ReducedLatticeParameters>
2137- <OptimizedLatticeParameters> 4.4202e+000 8.8478e+000 3.4607e+001 8.7168e+001 8.9305e+001 8.7068e+001 </OptimizedLatticeParameters>
2138-
2139- <VolumeOfUnitCell> 1.3500e+003 </VolumeOfUnitCell>
2140- <FigureOfMeritWolff name="M20"> 4.8048e+000 </FigureOfMeritWolff>
2141- <FigureOfMeritWu name="Mwu20"> 3.8065e+000 </FigureOfMeritWu>
2142- <ReversedFigureOfMeritWolff name="Mrev20"> 1.3745e+000 </ReversedFigureOfMeritWolff>
2143- <SymmetricFigureOfMeritWolff name="Msym20"> 6.6041e+000 </SymmetricFigureOfMeritWolff>
2144- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2145- <NumberOfMillerIndicesInRange> 9.0000e+001 </NumberOfMillerIndicesInRange>
2146- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2147- <NumberOfPeaksNecessaryToResolveDominantZone> 23 </NumberOfPeaksNecessaryToResolveDominantZone>
2148-
2149- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
2150-
2151- <EquivalentLatticeCandidates>
2152- </EquivalentLatticeCandidates>
2153-
2154- </LatticeCandidate>
2155-
2156- <LatticeCandidate number="0104378">
2157- <CrystalSystem> Triclinic </CrystalSystem>
2158-
2159- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2160- <ReducedLatticeParameters> 5.5407e+000 1.6609e+001 1.6794e+001 1.0067e+002 9.1357e+001 9.5918e+001 </ReducedLatticeParameters>
2161- <OptimizedLatticeParameters> 5.5407e+000 1.6609e+001 1.6794e+001 1.0067e+002 9.1357e+001 9.5918e+001 </OptimizedLatticeParameters>
2162-
2163- <VolumeOfUnitCell> 1.5092e+003 </VolumeOfUnitCell>
2164- <FigureOfMeritWolff name="M20"> 4.7453e+000 </FigureOfMeritWolff>
2165- <FigureOfMeritWu name="Mwu20"> 3.5645e+000 </FigureOfMeritWu>
2166- <ReversedFigureOfMeritWolff name="Mrev20"> 1.3107e+000 </ReversedFigureOfMeritWolff>
2167- <SymmetricFigureOfMeritWolff name="Msym20"> 6.2196e+000 </SymmetricFigureOfMeritWolff>
2168- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2169- <NumberOfMillerIndicesInRange> 7.1000e+001 </NumberOfMillerIndicesInRange>
2170- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2171- <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone>
2172-
2173- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
2174-
2175- <EquivalentLatticeCandidates>
2176- <LatticeCandidate>
2177- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2178- <LatticeParameters> 3.3039e+001 5.5207e+000 1.6813e+001 9.0000e+001 1.0101e+002 9.0000e+001 </LatticeParameters>
2179- </LatticeCandidate>
2180- <LatticeCandidate>
2181- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2182- <LatticeParameters> 2.1473e+001 2.5719e+001 5.4602e+000 9.0000e+001 9.9203e+001 9.0000e+001 </LatticeParameters>
2183- </LatticeCandidate>
2184- <LatticeCandidate>
2185- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2186- <LatticeParameters> 2.1304e+001 2.5719e+001 5.5242e+000 9.0000e+001 9.5742e+001 9.0000e+001 </LatticeParameters>
2187- </LatticeCandidate>
2188- </EquivalentLatticeCandidates>
2189-
2190- </LatticeCandidate>
2191-
2192- <LatticeCandidate number="0105682">
2193- <CrystalSystem> Triclinic </CrystalSystem>
2194-
2195- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2196- <ReducedLatticeParameters> 5.3181e+000 1.3341e+001 1.8032e+001 6.9016e+001 8.7373e+001 8.9434e+001 </ReducedLatticeParameters>
2197- <OptimizedLatticeParameters> 5.3181e+000 1.3341e+001 1.8032e+001 1.1098e+002 9.2627e+001 8.9434e+001 </OptimizedLatticeParameters>
2198-
2199- <VolumeOfUnitCell> 1.1933e+003 </VolumeOfUnitCell>
2200- <FigureOfMeritWolff name="M20"> 4.7237e+000 </FigureOfMeritWolff>
2201- <FigureOfMeritWu name="Mwu20"> 5.4757e+000 </FigureOfMeritWu>
2202- <ReversedFigureOfMeritWolff name="Mrev20"> 1.8101e+000 </ReversedFigureOfMeritWolff>
2203- <SymmetricFigureOfMeritWolff name="Msym20"> 8.5502e+000 </SymmetricFigureOfMeritWolff>
2204- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2205- <NumberOfMillerIndicesInRange> 6.0000e+001 </NumberOfMillerIndicesInRange>
2206- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2207- <NumberOfPeaksNecessaryToResolveDominantZone> 14 </NumberOfPeaksNecessaryToResolveDominantZone>
2208-
2209- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
2210-
2211- <EquivalentLatticeCandidates>
2212- <LatticeCandidate>
2213- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2214- <LatticeParameters> 3.3690e+001 1.3311e+001 5.3091e+000 9.0000e+001 9.2568e+001 9.0000e+001 </LatticeParameters>
2215- </LatticeCandidate>
2216- </EquivalentLatticeCandidates>
2217-
2218- </LatticeCandidate>
2219-
2220- <LatticeCandidate number="0108877">
2221- <CrystalSystem> Triclinic </CrystalSystem>
2222-
2223- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2224- <ReducedLatticeParameters> 4.1098e+000 1.0026e+001 1.9461e+001 8.3628e+001 8.6319e+001 8.3885e+001 </ReducedLatticeParameters>
2225- <OptimizedLatticeParameters> 4.1098e+000 1.0026e+001 1.9461e+001 8.3628e+001 8.6319e+001 8.3885e+001 </OptimizedLatticeParameters>
2226-
2227- <VolumeOfUnitCell> 7.9132e+002 </VolumeOfUnitCell>
2228- <FigureOfMeritWolff name="M20"> 4.7190e+000 </FigureOfMeritWolff>
2229- <FigureOfMeritWu name="Mwu20"> 4.0243e+000 </FigureOfMeritWu>
2230- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5772e+000 </ReversedFigureOfMeritWolff>
2231- <SymmetricFigureOfMeritWolff name="Msym20"> 7.4430e+000 </SymmetricFigureOfMeritWolff>
2232- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2233- <NumberOfMillerIndicesInRange> 5.7000e+001 </NumberOfMillerIndicesInRange>
2234- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2235- <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone>
2236-
2237- <NumberOfLatticesInNeighborhood> 19 </NumberOfLatticesInNeighborhood>
2238-
2239- <EquivalentLatticeCandidates>
2240- <LatticeCandidate>
2241- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2242- <LatticeParameters> 4.1079e+000 3.8603e+001 9.9475e+000 9.0000e+001 9.6398e+001 9.0000e+001 </LatticeParameters>
2243- </LatticeCandidate>
2244- </EquivalentLatticeCandidates>
2245-
2246- </LatticeCandidate>
2247-
2248- <LatticeCandidate number="0108052">
2249- <CrystalSystem> Triclinic </CrystalSystem>
2250-
2251- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2252- <ReducedLatticeParameters> 3.8409e+000 1.4613e+001 1.5868e+001 7.8793e+001 8.6764e+001 8.8494e+001 </ReducedLatticeParameters>
2253- <OptimizedLatticeParameters> 3.8409e+000 1.4613e+001 1.5868e+001 7.8793e+001 8.6764e+001 8.8494e+001 </OptimizedLatticeParameters>
2254-
2255- <VolumeOfUnitCell> 8.7217e+002 </VolumeOfUnitCell>
2256- <FigureOfMeritWolff name="M20"> 4.6919e+000 </FigureOfMeritWolff>
2257- <FigureOfMeritWu name="Mwu20"> 4.1624e+000 </FigureOfMeritWu>
2258- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5107e+000 </ReversedFigureOfMeritWolff>
2259- <SymmetricFigureOfMeritWolff name="Msym20"> 7.0883e+000 </SymmetricFigureOfMeritWolff>
2260- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2261- <NumberOfMillerIndicesInRange> 6.6000e+001 </NumberOfMillerIndicesInRange>
2262- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2263- <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone>
2264-
2265- <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood>
2266-
2267- <EquivalentLatticeCandidates>
2268- </EquivalentLatticeCandidates>
2269-
2270- </LatticeCandidate>
2271-
2272- <LatticeCandidate number="0108390">
2273- <CrystalSystem> Triclinic </CrystalSystem>
2274-
2275- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2276- <ReducedLatticeParameters> 3.7201e+000 4.7874e+000 4.7026e+001 9.1746e+001 9.0864e+001 9.5296e+001 </ReducedLatticeParameters>
2277- <OptimizedLatticeParameters> 3.7201e+000 4.7874e+000 4.7026e+001 9.1746e+001 9.0864e+001 9.5296e+001 </OptimizedLatticeParameters>
2278-
2279- <VolumeOfUnitCell> 8.3341e+002 </VolumeOfUnitCell>
2280- <FigureOfMeritWolff name="M20"> 4.6804e+000 </FigureOfMeritWolff>
2281- <FigureOfMeritWu name="Mwu20"> 3.5593e+000 </FigureOfMeritWu>
2282- <ReversedFigureOfMeritWolff name="Mrev20"> 1.4855e+000 </ReversedFigureOfMeritWolff>
2283- <SymmetricFigureOfMeritWolff name="Msym20"> 6.9527e+000 </SymmetricFigureOfMeritWolff>
2284- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2285- <NumberOfMillerIndicesInRange> 5.2000e+001 </NumberOfMillerIndicesInRange>
2286- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2287- <NumberOfPeaksNecessaryToResolveDominantZone> 42 </NumberOfPeaksNecessaryToResolveDominantZone>
2288-
2289- <NumberOfLatticesInNeighborhood> 14 </NumberOfLatticesInNeighborhood>
2290-
2291- <EquivalentLatticeCandidates>
2292- <LatticeCandidate>
2293- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
2294- <LatticeParameters> 5.5876e+000 6.1268e+000 9.3955e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2295- </LatticeCandidate>
2296- <LatticeCandidate>
2297- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2298- <LatticeParameters> 9.4849e+000 3.5674e+000 4.7008e+001 9.0000e+001 9.2055e+001 9.0000e+001 </LatticeParameters>
2299- </LatticeCandidate>
2300- <LatticeCandidate>
2301- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2302- <LatticeParameters> 4.7631e+000 9.3955e+001 3.7213e+000 9.0000e+001 9.5399e+001 9.0000e+001 </LatticeParameters>
2303- </LatticeCandidate>
2304- <LatticeCandidate>
2305- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2306- <LatticeParameters> 5.7603e+000 9.3955e+001 3.7213e+000 9.0000e+001 1.2459e+002 9.0000e+001 </LatticeParameters>
2307- </LatticeCandidate>
2308- <LatticeCandidate>
2309- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2310- <LatticeParameters> 5.5893e+000 6.1268e+000 4.7006e+001 9.0000e+001 9.1995e+001 9.0000e+001 </LatticeParameters>
2311- </LatticeCandidate>
2312- <LatticeCandidate>
2313- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2314- <LatticeParameters> 6.1270e+000 5.5876e+000 4.7054e+001 9.0000e+001 9.3264e+001 9.0000e+001 </LatticeParameters>
2315- </LatticeCandidate>
2316- <LatticeCandidate>
2317- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2318- <LatticeParameters> 3.7216e+000 9.3955e+001 4.7542e+000 9.0000e+001 9.5483e+001 9.0000e+001 </LatticeParameters>
2319- </LatticeCandidate>
2320- <LatticeCandidate>
2321- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2322- <LatticeParameters> 3.5674e+000 9.4649e+000 4.7005e+001 9.0000e+001 9.1947e+001 9.0000e+001 </LatticeParameters>
2323- </LatticeCandidate>
2324- </EquivalentLatticeCandidates>
2325-
2326- </LatticeCandidate>
2327-
2328- <LatticeCandidate number="0103866">
2329- <CrystalSystem> Triclinic </CrystalSystem>
2330-
2331- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2332- <ReducedLatticeParameters> 5.0799e+000 1.8999e+001 1.9421e+001 1.1258e+002 9.3075e+001 9.2212e+001 </ReducedLatticeParameters>
2333- <OptimizedLatticeParameters> 5.0799e+000 1.8999e+001 1.9421e+001 1.1258e+002 9.3075e+001 9.2212e+001 </OptimizedLatticeParameters>
2334-
2335- <VolumeOfUnitCell> 1.7246e+003 </VolumeOfUnitCell>
2336- <FigureOfMeritWolff name="M20"> 4.6684e+000 </FigureOfMeritWolff>
2337- <FigureOfMeritWu name="Mwu20"> 4.2259e+000 </FigureOfMeritWu>
2338- <ReversedFigureOfMeritWolff name="Mrev20"> 1.4637e+000 </ReversedFigureOfMeritWolff>
2339- <SymmetricFigureOfMeritWolff name="Msym20"> 6.8332e+000 </SymmetricFigureOfMeritWolff>
2340- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2341- <NumberOfMillerIndicesInRange> 9.9000e+001 </NumberOfMillerIndicesInRange>
2342- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2343- <NumberOfPeaksNecessaryToResolveDominantZone> 14 </NumberOfPeaksNecessaryToResolveDominantZone>
2344-
2345- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
2346-
2347- <EquivalentLatticeCandidates>
2348- <LatticeCandidate>
2349- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2350- <LatticeParameters> 2.1318e+001 3.1935e+001 5.0796e+000 9.0000e+001 9.4704e+001 9.0000e+001 </LatticeParameters>
2351- </LatticeCandidate>
2352- <LatticeCandidate>
2353- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2354- <LatticeParameters> 2.1490e+001 3.1935e+001 5.0242e+000 9.0000e+001 9.8639e+001 9.0000e+001 </LatticeParameters>
2355- </LatticeCandidate>
2356- <LatticeCandidate>
2357- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2358- <LatticeParameters> 3.8716e+001 5.0643e+000 1.9005e+001 9.0000e+001 1.1273e+002 9.0000e+001 </LatticeParameters>
2359- </LatticeCandidate>
2360- </EquivalentLatticeCandidates>
2361-
2362- </LatticeCandidate>
2363-
2364- <LatticeCandidate number="0108553">
2365- <CrystalSystem> Triclinic </CrystalSystem>
2366-
2367- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2368- <ReducedLatticeParameters> 5.0309e+000 1.2280e+001 1.3380e+001 9.1794e+001 9.6440e+001 9.3991e+001 </ReducedLatticeParameters>
2369- <OptimizedLatticeParameters> 5.0309e+000 1.2280e+001 1.3380e+001 9.1794e+001 9.6440e+001 9.3991e+001 </OptimizedLatticeParameters>
2370-
2371- <VolumeOfUnitCell> 8.1879e+002 </VolumeOfUnitCell>
2372- <FigureOfMeritWolff name="M20"> 4.5984e+000 </FigureOfMeritWolff>
2373- <FigureOfMeritWu name="Mwu20"> 3.6470e+000 </FigureOfMeritWu>
2374- <ReversedFigureOfMeritWolff name="Mrev20"> 1.7123e+000 </ReversedFigureOfMeritWolff>
2375- <SymmetricFigureOfMeritWolff name="Msym20"> 7.8738e+000 </SymmetricFigureOfMeritWolff>
2376- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2377- <NumberOfMillerIndicesInRange> 4.8000e+001 </NumberOfMillerIndicesInRange>
2378- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2379- <NumberOfPeaksNecessaryToResolveDominantZone> 16 </NumberOfPeaksNecessaryToResolveDominantZone>
2380-
2381- <NumberOfLatticesInNeighborhood> 11 </NumberOfLatticesInNeighborhood>
2382-
2383- <EquivalentLatticeCandidates>
2384- </EquivalentLatticeCandidates>
2385-
2386- </LatticeCandidate>
2387-
2388- <LatticeCandidate number="0105649">
2389- <CrystalSystem> Triclinic </CrystalSystem>
2390-
2391- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2392- <ReducedLatticeParameters> 8.5472e+000 1.1813e+001 1.3074e+001 7.1993e+001 7.4904e+001 7.7414e+001 </ReducedLatticeParameters>
2393- <OptimizedLatticeParameters> 8.5472e+000 1.1813e+001 1.3074e+001 7.1993e+001 7.4904e+001 7.7414e+001 </OptimizedLatticeParameters>
2394-
2395- <VolumeOfUnitCell> 1.1984e+003 </VolumeOfUnitCell>
2396- <FigureOfMeritWolff name="M20"> 4.5961e+000 </FigureOfMeritWolff>
2397- <FigureOfMeritWu name="Mwu20"> 4.3367e+000 </FigureOfMeritWu>
2398- <ReversedFigureOfMeritWolff name="Mrev20"> 1.4048e+000 </ReversedFigureOfMeritWolff>
2399- <SymmetricFigureOfMeritWolff name="Msym20"> 6.4566e+000 </SymmetricFigureOfMeritWolff>
2400- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2401- <NumberOfMillerIndicesInRange> 6.7000e+001 </NumberOfMillerIndicesInRange>
2402- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2403- <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone>
2404-
2405- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
2406-
2407- <EquivalentLatticeCandidates>
2408- <LatticeCandidate>
2409- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
2410- <LatticeParameters> 1.2305e+001 1.4727e+001 2.4320e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2411- </LatticeCandidate>
2412- <LatticeCandidate>
2413- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
2414- <LatticeParameters> 1.1435e+001 1.6329e+001 2.2197e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2415- </LatticeCandidate>
2416- <LatticeCandidate>
2417- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
2418- <LatticeParameters> 1.0609e+001 1.2417e+001 1.5083e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2419- </LatticeCandidate>
2420- <LatticeCandidate>
2421- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
2422- <LatticeParameters> 8.4542e+000 1.4570e+001 1.9138e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2423- </LatticeCandidate>
2424- <LatticeCandidate>
2425- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2426- <LatticeParameters> 2.0012e+001 1.4570e+001 8.5373e+000 9.0000e+001 1.0699e+002 9.0000e+001 </LatticeParameters>
2427- </LatticeCandidate>
2428- <LatticeCandidate>
2429- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2430- <LatticeParameters> 2.3035e+001 8.4542e+000 1.4636e+001 9.0000e+001 1.2382e+002 9.0000e+001 </LatticeParameters>
2431- </LatticeCandidate>
2432- <LatticeCandidate>
2433- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2434- <LatticeParameters> 1.6373e+001 1.9138e+001 8.4743e+000 9.0000e+001 1.1714e+002 9.0000e+001 </LatticeParameters>
2435- </LatticeCandidate>
2436- </EquivalentLatticeCandidates>
2437-
2438- </LatticeCandidate>
2439-
2440- <LatticeCandidate number="01010257">
2441- <CrystalSystem> Triclinic </CrystalSystem>
2442-
2443- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2444- <ReducedLatticeParameters> 4.2720e+000 9.4828e+000 1.7205e+001 8.0146e+001 8.3082e+001 8.5316e+001 </ReducedLatticeParameters>
2445- <OptimizedLatticeParameters> 4.2720e+000 9.4828e+000 1.7205e+001 8.0146e+001 8.3082e+001 8.5316e+001 </OptimizedLatticeParameters>
2446-
2447- <VolumeOfUnitCell> 6.8038e+002 </VolumeOfUnitCell>
2448- <FigureOfMeritWolff name="M20"> 4.5858e+000 </FigureOfMeritWolff>
2449- <FigureOfMeritWu name="Mwu20"> 3.5594e+000 </FigureOfMeritWu>
2450- <ReversedFigureOfMeritWolff name="Mrev20"> 1.6431e+000 </ReversedFigureOfMeritWolff>
2451- <SymmetricFigureOfMeritWolff name="Msym20"> 7.5348e+000 </SymmetricFigureOfMeritWolff>
2452- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2453- <NumberOfMillerIndicesInRange> 4.4000e+001 </NumberOfMillerIndicesInRange>
2454- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2455- <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone>
2456-
2457- <NumberOfLatticesInNeighborhood> 24 </NumberOfLatticesInNeighborhood>
2458-
2459- <EquivalentLatticeCandidates>
2460- </EquivalentLatticeCandidates>
2461-
2462- </LatticeCandidate>
2463-
2464- <LatticeCandidate number="0106077">
2465- <CrystalSystem> Triclinic </CrystalSystem>
2466-
2467- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2468- <ReducedLatticeParameters> 3.9858e+000 8.7255e+000 3.2868e+001 9.0082e+001 9.1772e+001 9.6638e+001 </ReducedLatticeParameters>
2469- <OptimizedLatticeParameters> 3.9858e+000 8.7255e+000 3.2868e+001 9.0082e+001 9.1772e+001 9.6638e+001 </OptimizedLatticeParameters>
2470-
2471- <VolumeOfUnitCell> 1.1348e+003 </VolumeOfUnitCell>
2472- <FigureOfMeritWolff name="M20"> 4.5570e+000 </FigureOfMeritWolff>
2473- <FigureOfMeritWu name="Mwu20"> 3.9905e+000 </FigureOfMeritWu>
2474- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5697e+000 </ReversedFigureOfMeritWolff>
2475- <SymmetricFigureOfMeritWolff name="Msym20"> 7.1532e+000 </SymmetricFigureOfMeritWolff>
2476- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2477- <NumberOfMillerIndicesInRange> 7.5000e+001 </NumberOfMillerIndicesInRange>
2478- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2479- <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone>
2480-
2481- <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood>
2482-
2483- <EquivalentLatticeCandidates>
2484- <LatticeCandidate>
2485- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2486- <LatticeParameters> 1.7348e+001 3.9576e+000 3.3926e+001 9.0000e+001 1.0450e+002 9.0000e+001 </LatticeParameters>
2487- </LatticeCandidate>
2488- <LatticeCandidate>
2489- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2490- <LatticeParameters> 3.9596e+000 1.7348e+001 3.2858e+001 9.0000e+001 9.1593e+001 9.0000e+001 </LatticeParameters>
2491- </LatticeCandidate>
2492- <LatticeCandidate>
2493- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2494- <LatticeParameters> 3.9843e+000 6.5691e+001 8.7295e+000 9.0000e+001 9.6462e+001 9.0000e+001 </LatticeParameters>
2495- </LatticeCandidate>
2496- </EquivalentLatticeCandidates>
2497-
2498- </LatticeCandidate>
2499-
2500- <LatticeCandidate number="0104228">
2501- <CrystalSystem> Triclinic </CrystalSystem>
2502-
2503- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2504- <ReducedLatticeParameters> 6.3229e+000 1.4201e+001 1.7959e+001 9.4765e+001 9.8781e+001 9.8553e+001 </ReducedLatticeParameters>
2505- <OptimizedLatticeParameters> 6.3229e+000 1.4201e+001 1.7959e+001 9.4765e+001 9.8781e+001 9.8553e+001 </OptimizedLatticeParameters>
2506-
2507- <VolumeOfUnitCell> 1.5667e+003 </VolumeOfUnitCell>
2508- <FigureOfMeritWolff name="M20"> 4.4747e+000 </FigureOfMeritWolff>
2509- <FigureOfMeritWu name="Mwu20"> 3.8715e+000 </FigureOfMeritWu>
2510- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5105e+000 </ReversedFigureOfMeritWolff>
2511- <SymmetricFigureOfMeritWolff name="Msym20"> 6.7588e+000 </SymmetricFigureOfMeritWolff>
2512- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2513- <NumberOfMillerIndicesInRange> 8.5000e+001 </NumberOfMillerIndicesInRange>
2514- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2515- <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone>
2516-
2517- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
2518-
2519- <EquivalentLatticeCandidates>
2520- <LatticeCandidate>
2521- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2522- <LatticeParameters> 2.8122e+001 6.3061e+000 2.1441e+001 9.0000e+001 1.2452e+002 9.0000e+001 </LatticeParameters>
2523- </LatticeCandidate>
2524- </EquivalentLatticeCandidates>
2525-
2526- </LatticeCandidate>
2527-
2528- <LatticeCandidate number="0105577">
2529- <CrystalSystem> Triclinic </CrystalSystem>
2530-
2531- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2532- <ReducedLatticeParameters> 3.9823e+000 1.6699e+001 1.8548e+001 8.1872e+001 8.5295e+001 8.3609e+001 </ReducedLatticeParameters>
2533- <OptimizedLatticeParameters> 3.9823e+000 1.6699e+001 1.8548e+001 8.1872e+001 8.5295e+001 8.3609e+001 </OptimizedLatticeParameters>
2534-
2535- <VolumeOfUnitCell> 1.2107e+003 </VolumeOfUnitCell>
2536- <FigureOfMeritWolff name="M20"> 4.4636e+000 </FigureOfMeritWolff>
2537- <FigureOfMeritWu name="Mwu20"> 3.8911e+000 </FigureOfMeritWu>
2538- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5238e+000 </ReversedFigureOfMeritWolff>
2539- <SymmetricFigureOfMeritWolff name="Msym20"> 6.8014e+000 </SymmetricFigureOfMeritWolff>
2540- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2541- <NumberOfMillerIndicesInRange> 8.8000e+001 </NumberOfMillerIndicesInRange>
2542- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2543- <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone>
2544-
2545- <NumberOfLatticesInNeighborhood> 7 </NumberOfLatticesInNeighborhood>
2546-
2547- <EquivalentLatticeCandidates>
2548- </EquivalentLatticeCandidates>
2549-
2550- </LatticeCandidate>
2551-
2552- <LatticeCandidate number="0104294">
2553- <CrystalSystem> Triclinic </CrystalSystem>
2554-
2555- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2556- <ReducedLatticeParameters> 5.2985e+000 1.5819e+001 1.8685e+001 8.5339e+001 8.2344e+001 8.4500e+001 </ReducedLatticeParameters>
2557- <OptimizedLatticeParameters> 5.2985e+000 1.5819e+001 1.8685e+001 8.5339e+001 8.2344e+001 8.4500e+001 </OptimizedLatticeParameters>
2558-
2559- <VolumeOfUnitCell> 1.5412e+003 </VolumeOfUnitCell>
2560- <FigureOfMeritWolff name="M20"> 4.4189e+000 </FigureOfMeritWolff>
2561- <FigureOfMeritWu name="Mwu20"> 3.8685e+000 </FigureOfMeritWu>
2562- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5887e+000 </ReversedFigureOfMeritWolff>
2563- <SymmetricFigureOfMeritWolff name="Msym20"> 7.0205e+000 </SymmetricFigureOfMeritWolff>
2564- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2565- <NumberOfMillerIndicesInRange> 8.5000e+001 </NumberOfMillerIndicesInRange>
2566- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2567- <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone>
2568-
2569- <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood>
2570-
2571- <EquivalentLatticeCandidates>
2572- <LatticeCandidate>
2573- <CrystalSystem> Rhombohedral </CrystalSystem>
2574- <LatticeParameters> 2.6993e+001 2.6993e+001 5.2392e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
2575- </LatticeCandidate>
2576- <LatticeCandidate>
2577- <CrystalSystem> Rhombohedral </CrystalSystem>
2578- <LatticeParameters> 2.6993e+001 2.6993e+001 5.2796e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
2579- </LatticeCandidate>
2580- <LatticeCandidate>
2581- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2582- <LatticeParameters> 3.1483e+001 5.2745e+000 2.3450e+001 9.0000e+001 1.2795e+002 9.0000e+001 </LatticeParameters>
2583- </LatticeCandidate>
2584- </EquivalentLatticeCandidates>
2585-
2586- </LatticeCandidate>
2587-
2588- <LatticeCandidate number="0103530">
2589- <CrystalSystem> Triclinic </CrystalSystem>
2590-
2591- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2592- <ReducedLatticeParameters> 4.6635e+000 1.8898e+001 2.1484e+001 9.3583e+001 9.5569e+001 9.2845e+001 </ReducedLatticeParameters>
2593- <OptimizedLatticeParameters> 4.6635e+000 1.8898e+001 2.1484e+001 9.3583e+001 9.5569e+001 9.2845e+001 </OptimizedLatticeParameters>
2594-
2595- <VolumeOfUnitCell> 1.8779e+003 </VolumeOfUnitCell>
2596- <FigureOfMeritWolff name="M20"> 4.4117e+000 </FigureOfMeritWolff>
2597- <FigureOfMeritWu name="Mwu20"> 4.1009e+000 </FigureOfMeritWu>
2598- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5211e+000 </ReversedFigureOfMeritWolff>
2599- <SymmetricFigureOfMeritWolff name="Msym20"> 6.7108e+000 </SymmetricFigureOfMeritWolff>
2600- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2601- <NumberOfMillerIndicesInRange> 1.1200e+002 </NumberOfMillerIndicesInRange>
2602- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2603- <NumberOfPeaksNecessaryToResolveDominantZone> 17 </NumberOfPeaksNecessaryToResolveDominantZone>
2604-
2605- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
2606-
2607- <EquivalentLatticeCandidates>
2608- <LatticeCandidate>
2609- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2610- <LatticeParameters> 3.7728e+001 4.6437e+000 2.7639e+001 9.0000e+001 1.2927e+002 9.0000e+001 </LatticeParameters>
2611- </LatticeCandidate>
2612- <LatticeCandidate>
2613- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2614- <LatticeParameters> 4.6443e+000 3.7651e+001 2.1488e+001 9.0000e+001 9.5242e+001 9.0000e+001 </LatticeParameters>
2615- </LatticeCandidate>
2616- <LatticeCandidate>
2617- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2618- <LatticeParameters> 4.6560e+000 4.2797e+001 1.8850e+001 9.0000e+001 9.2907e+001 9.0000e+001 </LatticeParameters>
2619- </LatticeCandidate>
2620- </EquivalentLatticeCandidates>
2621-
2622- </LatticeCandidate>
2623-
2624- <LatticeCandidate number="01010724">
2625- <CrystalSystem> Triclinic </CrystalSystem>
2626-
2627- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2628- <ReducedLatticeParameters> 3.9388e+000 1.0224e+001 1.6508e+001 8.3416e+001 8.8276e+001 7.9244e+001 </ReducedLatticeParameters>
2629- <OptimizedLatticeParameters> 3.9388e+000 1.0224e+001 1.6508e+001 8.3416e+001 8.8276e+001 7.9244e+001 </OptimizedLatticeParameters>
2630-
2631- <VolumeOfUnitCell> 6.4880e+002 </VolumeOfUnitCell>
2632- <FigureOfMeritWolff name="M20"> 4.3966e+000 </FigureOfMeritWolff>
2633- <FigureOfMeritWu name="Mwu20"> 3.3238e+000 </FigureOfMeritWu>
2634- <ReversedFigureOfMeritWolff name="Mrev20"> 1.6972e+000 </ReversedFigureOfMeritWolff>
2635- <SymmetricFigureOfMeritWolff name="Msym20"> 7.4618e+000 </SymmetricFigureOfMeritWolff>
2636- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2637- <NumberOfMillerIndicesInRange> 4.4000e+001 </NumberOfMillerIndicesInRange>
2638- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2639- <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone>
2640-
2641- <NumberOfLatticesInNeighborhood> 21 </NumberOfLatticesInNeighborhood>
2642-
2643- <EquivalentLatticeCandidates>
2644- <LatticeCandidate>
2645- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2646- <LatticeParameters> 3.9260e+000 3.2744e+001 1.0162e+001 9.0000e+001 1.0100e+002 9.0000e+001 </LatticeParameters>
2647- </LatticeCandidate>
2648- <LatticeCandidate>
2649- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2650- <LatticeParameters> 1.0028e+001 3.2744e+001 3.9405e+000 9.0000e+001 1.0056e+002 9.0000e+001 </LatticeParameters>
2651- </LatticeCandidate>
2652- </EquivalentLatticeCandidates>
2653-
2654- </LatticeCandidate>
2655-
2656- <LatticeCandidate number="0109980">
2657- <CrystalSystem> Triclinic </CrystalSystem>
2658-
2659- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2660- <ReducedLatticeParameters> 5.8380e+000 7.7566e+000 1.5822e+001 8.5566e+001 8.2816e+001 8.1010e+001 </ReducedLatticeParameters>
2661- <OptimizedLatticeParameters> 5.8380e+000 7.7566e+000 1.5822e+001 8.5566e+001 8.2816e+001 8.1010e+001 </OptimizedLatticeParameters>
2662-
2663- <VolumeOfUnitCell> 7.0091e+002 </VolumeOfUnitCell>
2664- <FigureOfMeritWolff name="M20"> 4.3897e+000 </FigureOfMeritWolff>
2665- <FigureOfMeritWu name="Mwu20"> 3.3732e+000 </FigureOfMeritWu>
2666- <ReversedFigureOfMeritWolff name="Mrev20"> 1.7892e+000 </ReversedFigureOfMeritWolff>
2667- <SymmetricFigureOfMeritWolff name="Msym20"> 7.8542e+000 </SymmetricFigureOfMeritWolff>
2668- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2669- <NumberOfMillerIndicesInRange> 3.8000e+001 </NumberOfMillerIndicesInRange>
2670- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
2671- <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone>
2672-
2673- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
2674-
2675- <EquivalentLatticeCandidates>
2676- <LatticeCandidate>
2677- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2678- <LatticeParameters> 1.0025e+001 8.5977e+000 1.5830e+001 9.0000e+001 9.8049e+001 9.0000e+001 </LatticeParameters>
2679- </LatticeCandidate>
2680- <LatticeCandidate>
2681- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2682- <LatticeParameters> 5.8504e+000 3.1349e+001 7.7509e+000 9.0000e+001 9.9219e+001 9.0000e+001 </LatticeParameters>
2683- </LatticeCandidate>
2684- <LatticeCandidate>
2685- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2686- <LatticeParameters> 8.9104e+000 3.1349e+001 5.8339e+000 9.0000e+001 1.2224e+002 9.0000e+001 </LatticeParameters>
2687- </LatticeCandidate>
2688- <LatticeCandidate>
2689- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2690- <LatticeParameters> 7.6541e+000 3.1349e+001 5.8371e+000 9.0000e+001 1.0005e+002 9.0000e+001 </LatticeParameters>
2691- </LatticeCandidate>
2692- </EquivalentLatticeCandidates>
2693-
2694- </LatticeCandidate>
2695-
2696- <LatticeCandidate number="0105404">
2697- <CrystalSystem> Triclinic </CrystalSystem>
2698-
2699- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2700- <ReducedLatticeParameters> 4.1388e+000 1.5997e+001 1.8940e+001 9.1249e+001 9.2834e+001 9.5570e+001 </ReducedLatticeParameters>
2701- <OptimizedLatticeParameters> 4.1388e+000 1.5997e+001 1.8940e+001 9.1249e+001 9.2834e+001 9.5570e+001 </OptimizedLatticeParameters>
2702-
2703- <VolumeOfUnitCell> 1.2461e+003 </VolumeOfUnitCell>
2704- <FigureOfMeritWolff name="M20"> 4.3786e+000 </FigureOfMeritWolff>
2705- <FigureOfMeritWu name="Mwu20"> 4.3206e+000 </FigureOfMeritWu>
2706- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5350e+000 </ReversedFigureOfMeritWolff>
2707- <SymmetricFigureOfMeritWolff name="Msym20"> 6.7209e+000 </SymmetricFigureOfMeritWolff>
2708- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2709- <NumberOfMillerIndicesInRange> 8.6000e+001 </NumberOfMillerIndicesInRange>
2710- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2711- <NumberOfPeaksNecessaryToResolveDominantZone> 23 </NumberOfPeaksNecessaryToResolveDominantZone>
2712-
2713- <NumberOfLatticesInNeighborhood> 15 </NumberOfLatticesInNeighborhood>
2714-
2715- <EquivalentLatticeCandidates>
2716- <LatticeCandidate>
2717- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2718- <LatticeParameters> 4.1324e+000 3.1876e+001 1.8948e+001 9.0000e+001 9.2697e+001 9.0000e+001 </LatticeParameters>
2719- </LatticeCandidate>
2720- <LatticeCandidate>
2721- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2722- <LatticeParameters> 3.1887e+001 4.1244e+000 2.4429e+001 9.0000e+001 1.2922e+002 9.0000e+001 </LatticeParameters>
2723- </LatticeCandidate>
2724- <LatticeCandidate>
2725- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2726- <LatticeParameters> 4.1267e+000 3.7854e+001 1.6011e+001 9.0000e+001 9.5480e+001 9.0000e+001 </LatticeParameters>
2727- </LatticeCandidate>
2728- </EquivalentLatticeCandidates>
2729-
2730- </LatticeCandidate>
2731-
2732- <LatticeCandidate number="0104800">
2733- <CrystalSystem> Triclinic </CrystalSystem>
2734-
2735- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2736- <ReducedLatticeParameters> 5.6342e+000 1.5490e+001 1.7413e+001 1.1344e+002 9.1370e+001 9.7232e+001 </ReducedLatticeParameters>
2737- <OptimizedLatticeParameters> 5.6342e+000 1.5490e+001 1.7413e+001 1.1344e+002 9.1370e+001 9.7232e+001 </OptimizedLatticeParameters>
2738-
2739- <VolumeOfUnitCell> 1.3786e+003 </VolumeOfUnitCell>
2740- <FigureOfMeritWolff name="M20"> 4.3551e+000 </FigureOfMeritWolff>
2741- <FigureOfMeritWu name="Mwu20"> 3.7053e+000 </FigureOfMeritWu>
2742- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5282e+000 </ReversedFigureOfMeritWolff>
2743- <SymmetricFigureOfMeritWolff name="Msym20"> 6.6555e+000 </SymmetricFigureOfMeritWolff>
2744- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2745- <NumberOfMillerIndicesInRange> 7.0000e+001 </NumberOfMillerIndicesInRange>
2746- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2747- <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone>
2748-
2749- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
2750-
2751- <EquivalentLatticeCandidates>
2752- <LatticeCandidate>
2753- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2754- <LatticeParameters> 3.0721e+001 5.6459e+000 1.7391e+001 9.0000e+001 1.1397e+002 9.0000e+001 </LatticeParameters>
2755- </LatticeCandidate>
2756- <LatticeCandidate>
2757- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2758- <LatticeParameters> 1.5778e+001 3.1782e+001 5.6337e+000 9.0000e+001 1.0339e+002 9.0000e+001 </LatticeParameters>
2759- </LatticeCandidate>
2760- <LatticeCandidate>
2761- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2762- <LatticeParameters> 1.5463e+001 3.1782e+001 5.6328e+000 9.0000e+001 9.6961e+001 9.0000e+001 </LatticeParameters>
2763- </LatticeCandidate>
2764- </EquivalentLatticeCandidates>
2765-
2766- </LatticeCandidate>
2767-
2768- <LatticeCandidate number="01010778">
2769- <CrystalSystem> Triclinic </CrystalSystem>
2770-
2771- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2772- <ReducedLatticeParameters> 4.9824e+000 1.0350e+001 1.2690e+001 8.7958e+001 8.2512e+001 8.3525e+001 </ReducedLatticeParameters>
2773- <OptimizedLatticeParameters> 4.9824e+000 1.0350e+001 1.2690e+001 8.7958e+001 8.2512e+001 8.3525e+001 </OptimizedLatticeParameters>
2774-
2775- <VolumeOfUnitCell> 6.4449e+002 </VolumeOfUnitCell>
2776- <FigureOfMeritWolff name="M20"> 4.3350e+000 </FigureOfMeritWolff>
2777- <FigureOfMeritWu name="Mwu20"> 3.7357e+000 </FigureOfMeritWu>
2778- <ReversedFigureOfMeritWolff name="Mrev20"> 1.7170e+000 </ReversedFigureOfMeritWolff>
2779- <SymmetricFigureOfMeritWolff name="Msym20"> 7.4431e+000 </SymmetricFigureOfMeritWolff>
2780- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2781- <NumberOfMillerIndicesInRange> 3.7000e+001 </NumberOfMillerIndicesInRange>
2782- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
2783- <NumberOfPeaksNecessaryToResolveDominantZone> 17 </NumberOfPeaksNecessaryToResolveDominantZone>
2784-
2785- <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood>
2786-
2787- <EquivalentLatticeCandidates>
2788- <LatticeCandidate>
2789- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
2790- <LatticeParameters> 4.9195e+000 2.0588e+001 2.5165e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2791- </LatticeCandidate>
2792- </EquivalentLatticeCandidates>
2793-
2794- </LatticeCandidate>
2795-
2796- <LatticeCandidate number="0104949">
2797- <CrystalSystem> Triclinic </CrystalSystem>
2798-
2799- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2800- <ReducedLatticeParameters> 4.0372e+000 1.7210e+001 2.0457e+001 7.0518e+001 8.9297e+001 8.9929e+001 </ReducedLatticeParameters>
2801- <OptimizedLatticeParameters> 4.0372e+000 1.7210e+001 2.0457e+001 1.0948e+002 9.0703e+001 8.9929e+001 </OptimizedLatticeParameters>
2802-
2803- <VolumeOfUnitCell> 1.3398e+003 </VolumeOfUnitCell>
2804- <FigureOfMeritWolff name="M20"> 4.3275e+000 </FigureOfMeritWolff>
2805- <FigureOfMeritWu name="Mwu20"> 3.9202e+000 </FigureOfMeritWu>
2806- <ReversedFigureOfMeritWolff name="Mrev20"> 1.4238e+000 </ReversedFigureOfMeritWolff>
2807- <SymmetricFigureOfMeritWolff name="Msym20"> 6.1615e+000 </SymmetricFigureOfMeritWolff>
2808- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2809- <NumberOfMillerIndicesInRange> 9.6000e+001 </NumberOfMillerIndicesInRange>
2810- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2811- <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone>
2812-
2813- <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood>
2814-
2815- <EquivalentLatticeCandidates>
2816- <LatticeCandidate>
2817- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2818- <LatticeParameters> 3.8555e+001 1.7132e+001 4.0357e+000 9.0000e+001 9.0675e+001 9.0000e+001 </LatticeParameters>
2819- </LatticeCandidate>
2820- </EquivalentLatticeCandidates>
2821-
2822- </LatticeCandidate>
2823-
2824- <LatticeCandidate number="0104869">
2825- <CrystalSystem> Triclinic </CrystalSystem>
2826-
2827- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2828- <ReducedLatticeParameters> 6.6907e+000 1.0611e+001 2.0197e+001 9.5049e+001 9.2550e+001 1.0737e+002 </ReducedLatticeParameters>
2829- <OptimizedLatticeParameters> 6.6907e+000 1.0611e+001 2.0197e+001 9.5049e+001 9.2550e+001 1.0737e+002 </OptimizedLatticeParameters>
2830-
2831- <VolumeOfUnitCell> 1.3594e+003 </VolumeOfUnitCell>
2832- <FigureOfMeritWolff name="M20"> 4.3050e+000 </FigureOfMeritWolff>
2833- <FigureOfMeritWu name="Mwu20"> 4.0412e+000 </FigureOfMeritWu>
2834- <ReversedFigureOfMeritWolff name="Mrev20"> 1.2233e+000 </ReversedFigureOfMeritWolff>
2835- <SymmetricFigureOfMeritWolff name="Msym20"> 5.2665e+000 </SymmetricFigureOfMeritWolff>
2836- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2837- <NumberOfMillerIndicesInRange> 7.9000e+001 </NumberOfMillerIndicesInRange>
2838- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2839- <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone>
2840-
2841- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
2842-
2843- <EquivalentLatticeCandidates>
2844- <LatticeCandidate>
2845- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2846- <LatticeParameters> 2.0243e+001 6.6473e+000 2.1592e+001 9.0000e+001 1.1162e+002 9.0000e+001 </LatticeParameters>
2847- </LatticeCandidate>
2848- <LatticeCandidate>
2849- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2850- <LatticeParameters> 6.6990e+000 2.0126e+001 2.0090e+001 9.0000e+001 9.2399e+001 9.0000e+001 </LatticeParameters>
2851- </LatticeCandidate>
2852- </EquivalentLatticeCandidates>
2853-
2854- </LatticeCandidate>
2855-
2856- <LatticeCandidate number="0103480">
2857- <CrystalSystem> Triclinic </CrystalSystem>
2858-
2859- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2860- <ReducedLatticeParameters> 8.5720e+000 1.3200e+001 1.7242e+001 7.7919e+001 8.9974e+001 8.5080e+001 </ReducedLatticeParameters>
2861- <OptimizedLatticeParameters> 8.5720e+000 1.3200e+001 1.7242e+001 1.0208e+002 8.9974e+001 9.4920e+001 </OptimizedLatticeParameters>
2862-
2863- <VolumeOfUnitCell> 1.9003e+003 </VolumeOfUnitCell>
2864- <FigureOfMeritWolff name="M20"> 4.2992e+000 </FigureOfMeritWolff>
2865- <FigureOfMeritWu name="Mwu20"> 4.0793e+000 </FigureOfMeritWu>
2866- <ReversedFigureOfMeritWolff name="Mrev20"> 1.4470e+000 </ReversedFigureOfMeritWolff>
2867- <SymmetricFigureOfMeritWolff name="Msym20"> 6.2211e+000 </SymmetricFigureOfMeritWolff>
2868- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2869- <NumberOfMillerIndicesInRange> 1.0500e+002 </NumberOfMillerIndicesInRange>
2870- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2871- <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone>
2872-
2873- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
2874-
2875- <EquivalentLatticeCandidates>
2876- <LatticeCandidate>
2877- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2878- <LatticeParameters> 2.6299e+001 8.3361e+000 1.7242e+001 9.0000e+001 1.0209e+002 9.0000e+001 </LatticeParameters>
2879- </LatticeCandidate>
2880- </EquivalentLatticeCandidates>
2881-
2882- </LatticeCandidate>
2883-
2884- <LatticeCandidate number="0108025">
2885- <CrystalSystem> Triclinic </CrystalSystem>
2886-
2887- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2888- <ReducedLatticeParameters> 4.0383e+000 1.0721e+001 2.0414e+001 9.2587e+001 9.0750e+001 9.7649e+001 </ReducedLatticeParameters>
2889- <OptimizedLatticeParameters> 4.0383e+000 1.0721e+001 2.0414e+001 9.2587e+001 9.0750e+001 9.7649e+001 </OptimizedLatticeParameters>
2890-
2891- <VolumeOfUnitCell> 8.7491e+002 </VolumeOfUnitCell>
2892- <FigureOfMeritWolff name="M20"> 4.2960e+000 </FigureOfMeritWolff>
2893- <FigureOfMeritWu name="Mwu20"> 3.4360e+000 </FigureOfMeritWu>
2894- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5284e+000 </ReversedFigureOfMeritWolff>
2895- <SymmetricFigureOfMeritWolff name="Msym20"> 6.5660e+000 </SymmetricFigureOfMeritWolff>
2896- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2897- <NumberOfMillerIndicesInRange> 6.0000e+001 </NumberOfMillerIndicesInRange>
2898- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2899- <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone>
2900-
2901- <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood>
2902-
2903- <EquivalentLatticeCandidates>
2904- <LatticeCandidate>
2905- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2906- <LatticeParameters> 4.0255e+000 4.0671e+001 1.0692e+001 9.0000e+001 9.7528e+001 9.0000e+001 </LatticeParameters>
2907- </LatticeCandidate>
2908- </EquivalentLatticeCandidates>
2909-
2910- </LatticeCandidate>
2911-
2912- <LatticeCandidate number="0104069">
2913- <CrystalSystem> Triclinic </CrystalSystem>
2914-
2915- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2916- <ReducedLatticeParameters> 5.0152e+000 1.7394e+001 1.8907e+001 9.3982e+001 9.2691e+001 9.6747e+001 </ReducedLatticeParameters>
2917- <OptimizedLatticeParameters> 5.0152e+000 1.7394e+001 1.8907e+001 9.3982e+001 9.2691e+001 9.6747e+001 </OptimizedLatticeParameters>
2918-
2919- <VolumeOfUnitCell> 1.6314e+003 </VolumeOfUnitCell>
2920- <FigureOfMeritWolff name="M20"> 4.2938e+000 </FigureOfMeritWolff>
2921- <FigureOfMeritWu name="Mwu20"> 3.5039e+000 </FigureOfMeritWu>
2922- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5423e+000 </ReversedFigureOfMeritWolff>
2923- <SymmetricFigureOfMeritWolff name="Msym20"> 6.6223e+000 </SymmetricFigureOfMeritWolff>
2924- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2925- <NumberOfMillerIndicesInRange> 9.3000e+001 </NumberOfMillerIndicesInRange>
2926- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2927- <NumberOfPeaksNecessaryToResolveDominantZone> 14 </NumberOfPeaksNecessaryToResolveDominantZone>
2928-
2929- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
2930-
2931- <EquivalentLatticeCandidates>
2932- <LatticeCandidate>
2933- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
2934- <LatticeParameters> 4.9812e+000 2.4529e+001 2.6526e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
2935- </LatticeCandidate>
2936- <LatticeCandidate>
2937- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2938- <LatticeParameters> 3.4647e+001 4.9812e+000 2.4624e+001 9.0000e+001 1.3004e+002 9.0000e+001 </LatticeParameters>
2939- </LatticeCandidate>
2940- <LatticeCandidate>
2941- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2942- <LatticeParameters> 2.6832e+001 2.4529e+001 4.9843e+000 9.0000e+001 9.8663e+001 9.0000e+001 </LatticeParameters>
2943- </LatticeCandidate>
2944- <LatticeCandidate>
2945- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2946- <LatticeParameters> 2.4711e+001 2.6526e+001 4.9977e+000 9.0000e+001 9.6965e+001 9.0000e+001 </LatticeParameters>
2947- </LatticeCandidate>
2948- <LatticeCandidate>
2949- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2950- <LatticeParameters> 4.9841e+000 3.7703e+001 1.7375e+001 9.0000e+001 9.6286e+001 9.0000e+001 </LatticeParameters>
2951- </LatticeCandidate>
2952- <LatticeCandidate>
2953- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2954- <LatticeParameters> 5.0004e+000 3.4541e+001 1.8870e+001 9.0000e+001 9.2551e+001 9.0000e+001 </LatticeParameters>
2955- </LatticeCandidate>
2956- </EquivalentLatticeCandidates>
2957-
2958- </LatticeCandidate>
2959-
2960- <LatticeCandidate number="0104090">
2961- <CrystalSystem> Triclinic </CrystalSystem>
2962-
2963- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
2964- <ReducedLatticeParameters> 1.0460e+001 1.1187e+001 1.4920e+001 1.0609e+002 1.0021e+002 9.7128e+001 </ReducedLatticeParameters>
2965- <OptimizedLatticeParameters> 1.0460e+001 1.1187e+001 1.4920e+001 1.0609e+002 1.0021e+002 9.7128e+001 </OptimizedLatticeParameters>
2966-
2967- <VolumeOfUnitCell> 1.6229e+003 </VolumeOfUnitCell>
2968- <FigureOfMeritWolff name="M20"> 4.2823e+000 </FigureOfMeritWolff>
2969- <FigureOfMeritWu name="Mwu20"> 3.4539e+000 </FigureOfMeritWu>
2970- <ReversedFigureOfMeritWolff name="Mrev20"> 1.3335e+000 </ReversedFigureOfMeritWolff>
2971- <SymmetricFigureOfMeritWolff name="Msym20"> 5.7105e+000 </SymmetricFigureOfMeritWolff>
2972- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
2973- <NumberOfMillerIndicesInRange> 9.4000e+001 </NumberOfMillerIndicesInRange>
2974- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
2975- <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone>
2976-
2977- <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood>
2978-
2979- <EquivalentLatticeCandidates>
2980- <LatticeCandidate>
2981- <CrystalSystem> Rhombohedral </CrystalSystem>
2982- <LatticeParameters> 1.5667e+001 1.5667e+001 1.2856e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
2983- </LatticeCandidate>
2984- <LatticeCandidate>
2985- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2986- <LatticeParameters> 1.4306e+001 1.6189e+001 1.4875e+001 9.0000e+001 1.0998e+002 9.0000e+001 </LatticeParameters>
2987- </LatticeCandidate>
2988- <LatticeCandidate>
2989- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2990- <LatticeParameters> 2.2202e+001 9.8718e+000 1.4687e+001 9.0000e+001 1.0786e+002 9.0000e+001 </LatticeParameters>
2991- </LatticeCandidate>
2992- <LatticeCandidate>
2993- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2994- <LatticeParameters> 1.1132e+001 2.7959e+001 1.0190e+001 9.0000e+001 9.6027e+001 9.0000e+001 </LatticeParameters>
2995- </LatticeCandidate>
2996- <LatticeCandidate>
2997- <CrystalSystem> Monoclinic(B) </CrystalSystem>
2998- <LatticeParameters> 1.4191e+001 2.7959e+001 1.0377e+001 9.0000e+001 1.2873e+002 9.0000e+001 </LatticeParameters>
2999- </LatticeCandidate>
3000- </EquivalentLatticeCandidates>
3001-
3002- </LatticeCandidate>
3003-
3004- <LatticeCandidate number="0104950">
3005- <CrystalSystem> Triclinic </CrystalSystem>
3006-
3007- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
3008- <ReducedLatticeParameters> 8.2570e+000 1.2941e+001 1.3997e+001 1.1202e+002 9.0592e+001 1.0357e+002 </ReducedLatticeParameters>
3009- <OptimizedLatticeParameters> 8.2570e+000 1.2941e+001 1.3997e+001 1.1202e+002 9.0592e+001 1.0357e+002 </OptimizedLatticeParameters>
3010-
3011- <VolumeOfUnitCell> 1.3397e+003 </VolumeOfUnitCell>
3012- <FigureOfMeritWolff name="M20"> 4.2804e+000 </FigureOfMeritWolff>
3013- <FigureOfMeritWu name="Mwu20"> 3.9501e+000 </FigureOfMeritWu>
3014- <ReversedFigureOfMeritWolff name="Mrev20"> 1.4406e+000 </ReversedFigureOfMeritWolff>
3015- <SymmetricFigureOfMeritWolff name="Msym20"> 6.1661e+000 </SymmetricFigureOfMeritWolff>
3016- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
3017- <NumberOfMillerIndicesInRange> 7.4000e+001 </NumberOfMillerIndicesInRange>
3018- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
3019- <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone>
3020-
3021- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
3022-
3023- <EquivalentLatticeCandidates>
3024- <LatticeCandidate>
3025- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3026- <LatticeParameters> 2.5171e+001 8.2308e+000 1.3977e+001 9.0000e+001 1.1285e+002 9.0000e+001 </LatticeParameters>
3027- </LatticeCandidate>
3028- </EquivalentLatticeCandidates>
3029-
3030- </LatticeCandidate>
3031-
3032- <LatticeCandidate number="0106279">
3033- <CrystalSystem> Triclinic </CrystalSystem>
3034-
3035- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
3036- <ReducedLatticeParameters> 6.1508e+000 1.1245e+001 1.6511e+001 1.0303e+002 9.0064e+001 9.8639e+001 </ReducedLatticeParameters>
3037- <OptimizedLatticeParameters> 6.1508e+000 1.1245e+001 1.6511e+001 1.0303e+002 9.0064e+001 9.8639e+001 </OptimizedLatticeParameters>
3038-
3039- <VolumeOfUnitCell> 1.0992e+003 </VolumeOfUnitCell>
3040- <FigureOfMeritWolff name="M20"> 4.2763e+000 </FigureOfMeritWolff>
3041- <FigureOfMeritWu name="Mwu20"> 3.9520e+000 </FigureOfMeritWu>
3042- <ReversedFigureOfMeritWolff name="Mrev20"> 1.6826e+000 </ReversedFigureOfMeritWolff>
3043- <SymmetricFigureOfMeritWolff name="Msym20"> 7.1952e+000 </SymmetricFigureOfMeritWolff>
3044- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
3045- <NumberOfMillerIndicesInRange> 5.7000e+001 </NumberOfMillerIndicesInRange>
3046- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
3047- <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone>
3048-
3049- <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood>
3050-
3051- <EquivalentLatticeCandidates>
3052- <LatticeCandidate>
3053- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3054- <LatticeParameters> 2.2214e+001 6.1037e+000 1.6530e+001 9.0000e+001 1.0322e+002 9.0000e+001 </LatticeParameters>
3055- </LatticeCandidate>
3056- </EquivalentLatticeCandidates>
3057-
3058- </LatticeCandidate>
3059-
3060- <LatticeCandidate number="0109143">
3061- <CrystalSystem> Triclinic </CrystalSystem>
3062-
3063- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
3064- <ReducedLatticeParameters> 4.4853e+000 1.0414e+001 1.6871e+001 9.0297e+001 9.1678e+001 1.0160e+002 </ReducedLatticeParameters>
3065- <OptimizedLatticeParameters> 4.4853e+000 1.0414e+001 1.6871e+001 9.0297e+001 9.1678e+001 1.0160e+002 </OptimizedLatticeParameters>
3066-
3067- <VolumeOfUnitCell> 7.7157e+002 </VolumeOfUnitCell>
3068- <FigureOfMeritWolff name="M20"> 4.2717e+000 </FigureOfMeritWolff>
3069- <FigureOfMeritWu name="Mwu20"> 3.4824e+000 </FigureOfMeritWu>
3070- <ReversedFigureOfMeritWolff name="Mrev20"> 1.7103e+000 </ReversedFigureOfMeritWolff>
3071- <SymmetricFigureOfMeritWolff name="Msym20"> 7.3057e+000 </SymmetricFigureOfMeritWolff>
3072- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
3073- <NumberOfMillerIndicesInRange> 5.0000e+001 </NumberOfMillerIndicesInRange>
3074- <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks>
3075- <NumberOfPeaksNecessaryToResolveDominantZone> 19 </NumberOfPeaksNecessaryToResolveDominantZone>
3076-
3077- <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood>
3078-
3079- <EquivalentLatticeCandidates>
3080- <LatticeCandidate>
3081- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3082- <LatticeParameters> 4.4679e+000 3.3719e+001 1.0424e+001 9.0000e+001 1.0161e+002 9.0000e+001 </LatticeParameters>
3083- </LatticeCandidate>
3084- <LatticeCandidate>
3085- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3086- <LatticeParameters> 4.4921e+000 2.0422e+001 1.6866e+001 9.0000e+001 9.1618e+001 9.0000e+001 </LatticeParameters>
3087- </LatticeCandidate>
3088- </EquivalentLatticeCandidates>
3089-
3090- </LatticeCandidate>
3091-
3092- <LatticeCandidate number="0105752">
3093- <CrystalSystem> Triclinic </CrystalSystem>
3094-
3095- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
3096- <ReducedLatticeParameters> 4.3747e+000 1.2432e+001 2.1806e+001 8.7655e+001 8.6393e+001 8.9920e+001 </ReducedLatticeParameters>
3097- <OptimizedLatticeParameters> 4.3747e+000 1.2432e+001 2.1806e+001 9.2345e+001 9.3607e+001 8.9920e+001 </OptimizedLatticeParameters>
3098-
3099- <VolumeOfUnitCell> 1.1826e+003 </VolumeOfUnitCell>
3100- <FigureOfMeritWolff name="M20"> 4.2457e+000 </FigureOfMeritWolff>
3101- <FigureOfMeritWu name="Mwu20"> 4.1025e+000 </FigureOfMeritWu>
3102- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5097e+000 </ReversedFigureOfMeritWolff>
3103- <SymmetricFigureOfMeritWolff name="Msym20"> 6.4097e+000 </SymmetricFigureOfMeritWolff>
3104- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
3105- <NumberOfMillerIndicesInRange> 7.6000e+001 </NumberOfMillerIndicesInRange>
3106- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
3107- <NumberOfPeaksNecessaryToResolveDominantZone> 21 </NumberOfPeaksNecessaryToResolveDominantZone>
3108-
3109- <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood>
3110-
3111- <EquivalentLatticeCandidates>
3112- <LatticeCandidate>
3113- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3114- <LatticeParameters> 4.3660e+001 4.3646e+000 1.2420e+001 9.0000e+001 9.2596e+001 9.0000e+001 </LatticeParameters>
3115- </LatticeCandidate>
3116- </EquivalentLatticeCandidates>
3117-
3118- </LatticeCandidate>
3119-
3120- <LatticeCandidate number="0108629">
3121- <CrystalSystem> Triclinic </CrystalSystem>
3122-
3123- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
3124- <ReducedLatticeParameters> 2.8475e+000 1.5118e+001 1.8957e+001 8.9026e+001 8.6220e+001 8.5666e+001 </ReducedLatticeParameters>
3125- <OptimizedLatticeParameters> 2.8475e+000 1.5118e+001 1.8957e+001 8.9026e+001 8.6220e+001 8.5666e+001 </OptimizedLatticeParameters>
3126-
3127- <VolumeOfUnitCell> 8.1191e+002 </VolumeOfUnitCell>
3128- <FigureOfMeritWolff name="M20"> 4.2318e+000 </FigureOfMeritWolff>
3129- <FigureOfMeritWu name="Mwu20"> 3.4889e+000 </FigureOfMeritWu>
3130- <ReversedFigureOfMeritWolff name="Mrev20"> 2.5310e+000 </ReversedFigureOfMeritWolff>
3131- <SymmetricFigureOfMeritWolff name="Msym20"> 1.0711e+001 </SymmetricFigureOfMeritWolff>
3132- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
3133- <NumberOfMillerIndicesInRange> 3.0000e+001 </NumberOfMillerIndicesInRange>
3134- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
3135- <NumberOfPeaksNecessaryToResolveDominantZone> 50 </NumberOfPeaksNecessaryToResolveDominantZone>
3136-
3137- <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood>
3138-
3139- <EquivalentLatticeCandidates>
3140- <LatticeCandidate>
3141- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3142- <LatticeParameters> 3.0170e+001 2.8469e+000 2.4057e+001 9.0000e+001 1.2806e+002 9.0000e+001 </LatticeParameters>
3143- </LatticeCandidate>
3144- <LatticeCandidate>
3145- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3146- <LatticeParameters> 2.8470e+000 3.0167e+001 1.8984e+001 9.0000e+001 9.3805e+001 9.0000e+001 </LatticeParameters>
3147- </LatticeCandidate>
3148- </EquivalentLatticeCandidates>
3149-
3150- </LatticeCandidate>
3151-
3152- <LatticeCandidate number="0109200">
3153- <CrystalSystem> Triclinic </CrystalSystem>
3154-
3155- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
3156- <ReducedLatticeParameters> 4.1680e+000 1.1812e+001 1.6659e+001 7.0065e+001 8.3707e+001 8.9060e+001 </ReducedLatticeParameters>
3157- <OptimizedLatticeParameters> 4.1680e+000 1.1812e+001 1.6659e+001 1.0993e+002 9.6293e+001 8.9060e+001 </OptimizedLatticeParameters>
3158-
3159- <VolumeOfUnitCell> 7.6614e+002 </VolumeOfUnitCell>
3160- <FigureOfMeritWolff name="M20"> 4.2306e+000 </FigureOfMeritWolff>
3161- <FigureOfMeritWu name="Mwu20"> 3.5742e+000 </FigureOfMeritWu>
3162- <ReversedFigureOfMeritWolff name="Mrev20"> 1.5349e+000 </ReversedFigureOfMeritWolff>
3163- <SymmetricFigureOfMeritWolff name="Msym20"> 6.4937e+000 </SymmetricFigureOfMeritWolff>
3164- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
3165- <NumberOfMillerIndicesInRange> 5.3000e+001 </NumberOfMillerIndicesInRange>
3166- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
3167- <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone>
3168-
3169- <NumberOfLatticesInNeighborhood> 13 </NumberOfLatticesInNeighborhood>
3170-
3171- <EquivalentLatticeCandidates>
3172- <LatticeCandidate>
3173- <CrystalSystem> Orthorhombic(I) </CrystalSystem>
3174- <LatticeParameters> 4.1698e+000 1.1805e+001 3.1115e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
3175- </LatticeCandidate>
3176- <LatticeCandidate>
3177- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3178- <LatticeParameters> 3.3094e+001 4.1698e+000 1.1807e+001 9.0000e+001 1.0991e+002 9.0000e+001 </LatticeParameters>
3179- </LatticeCandidate>
3180- <LatticeCandidate>
3181- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3182- <LatticeParameters> 3.1315e+001 1.1805e+001 4.1706e+000 9.0000e+001 9.6471e+001 9.0000e+001 </LatticeParameters>
3183- </LatticeCandidate>
3184- <LatticeCandidate>
3185- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3186- <LatticeParameters> 1.2459e+001 3.1115e+001 4.1703e+000 9.0000e+001 1.0864e+002 9.0000e+001 </LatticeParameters>
3187- </LatticeCandidate>
3188- </EquivalentLatticeCandidates>
3189-
3190- </LatticeCandidate>
3191-
3192- <LatticeCandidate number="01010831">
3193- <CrystalSystem> Triclinic </CrystalSystem>
3194-
3195- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
3196- <ReducedLatticeParameters> 3.4320e+000 4.2378e+000 4.4536e+001 8.9325e+001 8.9326e+001 8.1501e+001 </ReducedLatticeParameters>
3197- <OptimizedLatticeParameters> 3.4320e+000 4.2378e+000 4.4536e+001 8.9325e+001 8.9326e+001 8.1501e+001 </OptimizedLatticeParameters>
3198-
3199- <VolumeOfUnitCell> 6.4055e+002 </VolumeOfUnitCell>
3200- <FigureOfMeritWolff name="M20"> 4.2296e+000 </FigureOfMeritWolff>
3201- <FigureOfMeritWu name="Mwu20"> 3.3550e+000 </FigureOfMeritWu>
3202- <ReversedFigureOfMeritWolff name="Mrev20"> 1.8532e+000 </ReversedFigureOfMeritWolff>
3203- <SymmetricFigureOfMeritWolff name="Msym20"> 7.8384e+000 </SymmetricFigureOfMeritWolff>
3204- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
3205- <NumberOfMillerIndicesInRange> 3.9000e+001 </NumberOfMillerIndicesInRange>
3206- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
3207- <NumberOfPeaksNecessaryToResolveDominantZone> 49 </NumberOfPeaksNecessaryToResolveDominantZone>
3208-
3209- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
3210-
3211- <EquivalentLatticeCandidates>
3212- <LatticeCandidate>
3213- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3214- <LatticeParameters> 3.4340e+000 8.9261e+001 4.2323e+000 9.0000e+001 9.8542e+001 9.0000e+001 </LatticeParameters>
3215- </LatticeCandidate>
3216- <LatticeCandidate>
3217- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3218- <LatticeParameters> 5.0394e+000 8.9261e+001 3.4333e+000 9.0000e+001 1.2390e+002 9.0000e+001 </LatticeParameters>
3219- </LatticeCandidate>
3220- <LatticeCandidate>
3221- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3222- <LatticeParameters> 4.2298e+000 8.9261e+001 3.4349e+000 9.0000e+001 9.8550e+001 9.0000e+001 </LatticeParameters>
3223- </LatticeCandidate>
3224- </EquivalentLatticeCandidates>
3225-
3226- </LatticeCandidate>
3227-
3228- <LatticeCandidate number="0109972">
3229- <CrystalSystem> Triclinic </CrystalSystem>
3230-
3231- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
3232- <ReducedLatticeParameters> 4.5579e+000 7.1858e+000 2.1778e+001 9.7391e+001 9.3606e+001 9.5538e+001 </ReducedLatticeParameters>
3233- <OptimizedLatticeParameters> 4.5579e+000 7.1858e+000 2.1778e+001 9.7391e+001 9.3606e+001 9.5538e+001 </OptimizedLatticeParameters>
3234-
3235- <VolumeOfUnitCell> 7.0200e+002 </VolumeOfUnitCell>
3236- <FigureOfMeritWolff name="M20"> 4.2251e+000 </FigureOfMeritWolff>
3237- <FigureOfMeritWu name="Mwu20"> 3.9712e+000 </FigureOfMeritWu>
3238- <ReversedFigureOfMeritWolff name="Mrev20"> 1.8541e+000 </ReversedFigureOfMeritWolff>
3239- <SymmetricFigureOfMeritWolff name="Msym20"> 7.8336e+000 </SymmetricFigureOfMeritWolff>
3240- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
3241- <NumberOfMillerIndicesInRange> 4.6000e+001 </NumberOfMillerIndicesInRange>
3242- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
3243- <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone>
3244-
3245- <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood>
3246-
3247- <EquivalentLatticeCandidates>
3248- <LatticeCandidate>
3249- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3250- <LatticeParameters> 8.1196e+000 4.3082e+001 4.5529e+000 9.0000e+001 1.1839e+002 9.0000e+001 </LatticeParameters>
3251- </LatticeCandidate>
3252- </EquivalentLatticeCandidates>
3253-
3254- </LatticeCandidate>
3255-
3256- <LatticeCandidate number="0104174">
3257- <CrystalSystem> Triclinic </CrystalSystem>
3258-
3259- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
3260- <ReducedLatticeParameters> 4.3906e+000 1.7196e+001 2.1343e+001 9.8881e+001 9.0887e+001 9.4484e+001 </ReducedLatticeParameters>
3261- <OptimizedLatticeParameters> 4.3906e+000 1.7196e+001 2.1343e+001 9.8881e+001 9.0887e+001 9.4484e+001 </OptimizedLatticeParameters>
3262-
3263- <VolumeOfUnitCell> 1.5866e+003 </VolumeOfUnitCell>
3264- <FigureOfMeritWolff name="M20"> 4.2226e+000 </FigureOfMeritWolff>
3265- <FigureOfMeritWu name="Mwu20"> 3.5830e+000 </FigureOfMeritWu>
3266- <ReversedFigureOfMeritWolff name="Mrev20"> 1.4317e+000 </ReversedFigureOfMeritWolff>
3267- <SymmetricFigureOfMeritWolff name="Msym20"> 6.0453e+000 </SymmetricFigureOfMeritWolff>
3268- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
3269- <NumberOfMillerIndicesInRange> 9.7000e+001 </NumberOfMillerIndicesInRange>
3270- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
3271- <NumberOfPeaksNecessaryToResolveDominantZone> 19 </NumberOfPeaksNecessaryToResolveDominantZone>
3272-
3273- <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood>
3274-
3275- <EquivalentLatticeCandidates>
3276- <LatticeCandidate>
3277- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3278- <LatticeParameters> 3.4280e+001 4.3830e+000 2.1349e+001 9.0000e+001 9.8990e+001 9.0000e+001 </LatticeParameters>
3279- </LatticeCandidate>
3280- </EquivalentLatticeCandidates>
3281-
3282- </LatticeCandidate>
3283-
3284- <LatticeCandidate number="0107906">
3285- <CrystalSystem> Triclinic </CrystalSystem>
3286-
3287- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
3288- <ReducedLatticeParameters> 4.1466e+000 1.4386e+001 1.5039e+001 9.3952e+001 9.3220e+001 9.7197e+001 </ReducedLatticeParameters>
3289- <OptimizedLatticeParameters> 4.1466e+000 1.4386e+001 1.5039e+001 9.3952e+001 9.3220e+001 9.7197e+001 </OptimizedLatticeParameters>
3290-
3291- <VolumeOfUnitCell> 8.8604e+002 </VolumeOfUnitCell>
3292- <FigureOfMeritWolff name="M20"> 4.2221e+000 </FigureOfMeritWolff>
3293- <FigureOfMeritWu name="Mwu20"> 3.7094e+000 </FigureOfMeritWu>
3294- <ReversedFigureOfMeritWolff name="Mrev20"> 1.7772e+000 </ReversedFigureOfMeritWolff>
3295- <SymmetricFigureOfMeritWolff name="Msym20"> 7.5034e+000 </SymmetricFigureOfMeritWolff>
3296- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
3297- <NumberOfMillerIndicesInRange> 5.9000e+001 </NumberOfMillerIndicesInRange>
3298- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
3299- <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone>
3300-
3301- <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood>
3302-
3303- <EquivalentLatticeCandidates>
3304- </EquivalentLatticeCandidates>
3305-
3306- </LatticeCandidate>
3307-
3308- <LatticeCandidate number="0107314">
3309- <CrystalSystem> Triclinic </CrystalSystem>
3310-
3311- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
3312- <ReducedLatticeParameters> 5.7574e+000 6.2402e+000 2.7547e+001 9.2813e+001 9.5169e+001 1.0423e+002 </ReducedLatticeParameters>
3313- <OptimizedLatticeParameters> 5.7574e+000 6.2402e+000 2.7630e+001 8.4251e+001 8.3192e+001 7.5765e+001 </OptimizedLatticeParameters>
3314-
3315- <VolumeOfUnitCell> 9.5281e+002 </VolumeOfUnitCell>
3316- <FigureOfMeritWolff name="M20"> 4.2194e+000 </FigureOfMeritWolff>
3317- <FigureOfMeritWu name="Mwu20"> 4.1932e+000 </FigureOfMeritWu>
3318- <ReversedFigureOfMeritWolff name="Mrev20"> 2.3654e+000 </ReversedFigureOfMeritWolff>
3319- <SymmetricFigureOfMeritWolff name="Msym20"> 9.9809e+000 </SymmetricFigureOfMeritWolff>
3320- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
3321- <NumberOfMillerIndicesInRange> 4.8000e+001 </NumberOfMillerIndicesInRange>
3322- <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks>
3323- <NumberOfPeaksNecessaryToResolveDominantZone> 15 </NumberOfPeaksNecessaryToResolveDominantZone>
3324-
3325- <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood>
3326-
3327- <EquivalentLatticeCandidates>
3328- <LatticeCandidate>
3329- <CrystalSystem> Rhombohedral </CrystalSystem>
3330- <LatticeParameters> 6.6876e+000 6.6876e+000 8.2002e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters>
3331- </LatticeCandidate>
3332- <LatticeCandidate>
3333- <CrystalSystem> Orthorhombic(F) </CrystalSystem>
3334- <LatticeParameters> 7.3421e+000 9.4206e+000 5.4668e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters>
3335- </LatticeCandidate>
3336- <LatticeCandidate>
3337- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3338- <LatticeParameters> 9.4257e+000 7.3421e+000 2.7599e+001 9.0000e+001 9.7938e+001 9.0000e+001 </LatticeParameters>
3339- </LatticeCandidate>
3340- <LatticeCandidate>
3341- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3342- <LatticeParameters> 1.2110e+001 5.6005e+000 2.7634e+001 9.0000e+001 9.8454e+001 9.0000e+001 </LatticeParameters>
3343- </LatticeCandidate>
3344- <LatticeCandidate>
3345- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3346- <LatticeParameters> 7.3698e+000 5.4668e+001 5.7371e+000 9.0000e+001 1.2481e+002 9.0000e+001 </LatticeParameters>
3347- </LatticeCandidate>
3348- <LatticeCandidate>
3349- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3350- <LatticeParameters> 6.2456e+000 5.4668e+001 5.7140e+000 9.0000e+001 1.0435e+002 9.0000e+001 </LatticeParameters>
3351- </LatticeCandidate>
3352- <LatticeCandidate>
3353- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3354- <LatticeParameters> 7.3436e+000 9.4206e+000 2.7512e+001 9.0000e+001 9.6509e+001 9.0000e+001 </LatticeParameters>
3355- </LatticeCandidate>
3356- <LatticeCandidate>
3357- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3358- <LatticeParameters> 5.6029e+000 1.2078e+001 2.7407e+001 9.0000e+001 9.4171e+001 9.0000e+001 </LatticeParameters>
3359- </LatticeCandidate>
3360- <LatticeCandidate>
3361- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3362- <LatticeParameters> 5.7371e+000 5.4668e+001 6.2291e+000 9.0000e+001 1.0419e+002 9.0000e+001 </LatticeParameters>
3363- </LatticeCandidate>
3364- </EquivalentLatticeCandidates>
3365-
3366- </LatticeCandidate>
3367-
3368- <LatticeCandidate number="01015147">
3369- <CrystalSystem> Triclinic </CrystalSystem>
3370-
3371- <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
3372- <ReducedLatticeParameters> 4.0247e+000 9.7660e+000 1.1166e+001 9.0825e+001 9.8652e+001 9.6609e+001 </ReducedLatticeParameters>
3373- <OptimizedLatticeParameters> 4.0247e+000 9.7660e+000 1.1166e+001 9.0825e+001 9.8652e+001 9.6609e+001 </OptimizedLatticeParameters>
3374-
3375- <VolumeOfUnitCell> 4.3080e+002 </VolumeOfUnitCell>
3376- <FigureOfMeritWolff name="M20"> 4.2178e+000 </FigureOfMeritWolff>
3377- <FigureOfMeritWu name="Mwu20"> 3.1480e+000 </FigureOfMeritWu>
3378- <ReversedFigureOfMeritWolff name="Mrev20"> 1.7420e+000 </ReversedFigureOfMeritWolff>
3379- <SymmetricFigureOfMeritWolff name="Msym20"> 7.3472e+000 </SymmetricFigureOfMeritWolff>
3380- <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)-->
3381- <NumberOfMillerIndicesInRange> 3.2000e+001 </NumberOfMillerIndicesInRange>
3382- <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks>
3383- <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone>
3384-
3385- <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood>
3386-
3387- <EquivalentLatticeCandidates>
3388- <LatticeCandidate>
3389- <CrystalSystem> Monoclinic(B) </CrystalSystem>
3390- <LatticeParameters> 4.0198e+000 2.2066e+001 9.7546e+000 9.0000e+001 9.6525e+001 9.0000e+001 </LatticeParameters>
3391- </LatticeCandidate>
3392- </EquivalentLatticeCandidates>
3393-
3394- </LatticeCandidate>
3395-
3396- <LatticeCandidate number="01013199">
3397- <CrystalSystem> Triclinic </CrystalSystem>
3398-
3399- <!-- a, b, c(angstr