Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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WHEATLEYITE
1, syn
Na(2)Cu[C(2)O(4)](2).2H(2)O
Triclinic P 1(-) Z = 1
P1(-)
11 .6 .1908
Ref.Str.:
Gleizes A., Maury F., Galy J. (1980)
* Inorg. Chem., 19, 2074-2078
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.536 alpha = 81.9
b = 9.473 beta = 103.77
c = 3.576 gamma = 108.09
Unit cell volume (cub. angs.) = 235.07
Molar volume ( cub.cm/mol.) = 141.59
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2979 0.5724 0.6073 0.0 Na = 1.00
2 0.0 0.0 0.0 0.0 Cu = 1.00
3 0.22 0.2756 0.1794 0.0 C = 1.00
4 0.0279 0.2544 0.2939 0.0 C = 1.00
5 0.2327 0.1623 0.0424 0.0 O = 1.00
6 0.9086 0.1244 0.2459 0.0 O = 1.00
7 0.3436 0.3952 0.2198 0.0 O = 1.00
8 0.0016 0.3564 0.4265 0.0 O = 1.00
9 0.3945 0.7525 0.1073 0.0 H(2)O = 1.00
10 0.5279 0.8117 0.0895 0.0 H = 1.00
11 0.3282 0.8304 0.9994 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2979 0.5724 0.6073
2 2 0.0 0.0 0.0
3 3 0.22 0.2756 0.1794
4 4 0.0279 0.2544 0.2939
5 5 0.2327 0.1623 0.0424
6 6 0.9086 0.1244 0.2459
7 7 0.3436 0.3952 0.2198
8 8 0.0016 0.3564 0.4265
9 9 0.3945 0.7525 0.1073
10 10 0.5279 0.8117 0.0895
11 11 0.3282 0.8304 0.9994
12 1 0.7021 0.4276 0.3927
13 3 0.78 0.7244 0.8206
14 4 0.9721 0.7456 0.7061
15 5 0.7673 0.8377 0.9576
16 6 0.0914 0.8756 0.7541
17 7 0.6564 0.6048 0.7802
18 8 0.9984 0.6436 0.5735
19 9 0.6055 0.2475 0.8927
20 10 0.4721 0.1883 0.9105
21 11 0.6718 0.1696 0.0006
X-ray density (g/cm cub.) = 2.3
MU (1/cm) = 48.405 Mass attenuation coefficient (cm**2/g) = 21.051
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 2.976 7
2.5879 7
2.4694 7
2.5374 8
2.4712 9
2.372 9
2.5532 7
2.5212 8
2 Cu 2.976 6
1.9305 5
1.9289 6
2.8035 6
1.9305 5
2.8035 6
1.9289 6
3 C 2.04 2
1.2788 5
1.2243 7
4 C 2.04 2
1.2856 6
1.2209 8
5 O 3.432 6
2.6176 6
3.2617 6
2.2283 7
3.2072 8
2.8361 6
2.8314 9
6 O 3.432 6
3.2617 5
2.6176 5
2.2285 8
2.8361 5
3.2207 6
2.8352 9
7 O 3.432 8
2.2283 5
2.7506 8
3.3242 8
3.2632 9
3.0791 7
3.1541 7
3.1857 9
3.2398 9
8 O 3.432 6
3.2072 5
2.2285 6
3.3242 7
2.7506 7
2.8511 8
3.09 9
9 H(2)O 3.6 9
3.2632 7
3.576 9
3.576 9
2.8314 5
2.8352 6
3.1857 7
3.2398 7
3.5673 8
3.09 8
10 H 1.8 1
0.9997 9
11 H 1.8 1
1.0 9
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 1 0 4.92 9.84 0.056 268.9 2 4.4 18.7
2 1 0 0 6.309 12.619 0.071 162.64 2 39.6 923.4
3 -1 1 0 6.796 13.592 0.077 139.86 2 45.2 1031.9
4 1 1 0 9.072 18.145 0.102 77.51 2 28.2 223.8
5 0 2 0 9.877 19.754 0.111 65.05 2 4.3 4.4
6 -1 2 0 10.081 20.163 0.114 62.36 2 20.7 96.9
7 -2 1 0 12.22 24.441 0.137 41.76 2 43.8 290.3
8 2 0 0 12.697 25.394 0.143 38.54 2 13.9 27.0
9 0 0 1 12.848 25.696 0.144 37.59 2 28.4 109.4
10 -1 1 1 12.999 25.997 0.146 36.67 2 15.9 33.6
11 -1 0 1 13.108 26.216 0.147 36.03 2 16.0 33.3
12 1 2 0 13.228 26.456 0.149 35.34 2 13.6 23.7
13 0 1 1 13.441 26.883 0.151 34.17 2 13.5 22.6
14 -2 2 0 13.69 27.38 0.154 32.86 2 6.3 4.7
15 0 -1 1 14.127 28.253 0.158 30.74 2 85.4 812.0
16 -1 3 0 14.417 28.835 0.162 29.44 2 17.1 31.1
17 -1 2 1 14.708 29.416 0.165 28.21 2 1.9 0.4
18 0 3 0 14.91 29.82 0.167 27.4 2 16.8 28.0
19 2 1 0 14.947 29.894 0.167 27.25 2 21.5 45.7
20 -1 -1 1 15.0 30.0 0.168 27.05 2 34.5 116.7
21 -2 1 1 15.487 30.975 0.173 25.25 2 21.9 43.9
22 1 0 1 15.522 31.043 0.174 25.13 2 2.4 0.5
23 0 2 1 15.712 31.424 0.176 24.48 2 15.1 20.2
24 1 -1 1 16.036 32.071 0.179 23.43 2 64.6 353.4
25 -2 0 1 16.172 32.344 0.181 23.0 2 7.0 4.1
26 -2 2 1 16.403 32.806 0.183 22.31 2 44.2 157.5
27 1 1 1 16.601 33.202 0.185 21.73 2 3.5 1.0
28 -2 3 0 16.633 33.266 0.186 21.64 2 16.2 20.6
29 0 -2 1 16.889 33.779 0.189 20.94 2 11.8 10.6
30 -1 3 1 17.76 35.52 0.198 18.76 2 54.9 204.5
31 1 3 0 17.91 35.82 0.2 18.42 2 38.6 99.4
32 1 -2 1 18.021 36.043 0.201 18.17 2 62.5 257.1
33 -1 -2 1 18.171 36.342 0.202 17.84 2 36.8 87.2
34 -2 -1 1 18.297 36.594 0.204 17.58 2 0.7 0.0
35 2 2 0 18.383 36.765 0.205 17.4 2 18.4 21.3
36 -3 1 0 18.412 36.824 0.205 17.33 2 29.2 53.6
37 -2 3 1 18.71 37.42 0.208 16.73 2 11.6 8.2
38 -3 2 0 18.958 37.915 0.211 16.25 2 2.8 0.5
39 1 2 1 19.034 38.068 0.212 16.11 2 43.2 108.8
40 0 3 1 19.125 38.251 0.213 15.94 2 19.3 21.4
41 -1 4 0 19.191 38.382 0.213 15.82 2 16.6 15.8
42 3 0 0 19.25 38.5 0.214 15.71 2 59.2 199.3
43 -3 1 1 19.928 39.856 0.221 14.55 2 14.5 11.1
44 2 -1 1 20.019 40.039 0.222 14.4 2 22.8 27.0
45 0 4 0 20.064 40.128 0.223 14.33 2 5.2 1.4
46 2 0 1 20.085 40.17 0.223 14.3 2 25.8 34.5
47 -3 2 1 20.196 40.391 0.224 14.13 2 41.9 89.9
48 -2 4 0 20.493 40.986 0.227 13.67 2 20.5 20.8
49 0 -3 1 20.614 41.228 0.229 13.49 2 30.7 45.9
50 -3 3 0 20.794 41.588 0.23 13.24 2 50.7 123.1
51 -3 0 1 20.952 41.905 0.232 13.01 2 2.2 0.2
52 1 -3 1 21.12 42.24 0.234 12.78 2 9.0 3.7
53 2 -2 1 21.234 42.468 0.235 12.63 2 52.2 124.7
54 3 1 0 21.333 42.666 0.236 12.5 2 15.2 10.5
55 2 1 1 21.421 42.841 0.237 12.38 2 17.0 12.9
56 -2 -2 1 21.494 42.988 0.238 12.29 2 38.5 66.0
57 -1 4 1 21.669 43.338 0.24 12.07 2 5.2 1.2
58 -3 3 1 21.716 43.432 0.24 12.01 2 10.4 4.7
59 -2 4 1 22.036 44.071 0.244 11.62 2 38.8 63.2
60 -1 -3 1 22.156 44.313 0.245 11.48 2 5.7 1.4
61 1 3 1 22.448 44.896 0.248 11.14 2 0.1 0.0
62 2 3 0 22.552 45.105 0.249 11.03 2 55.5 122.9
63 1 4 0 22.906 45.812 0.253 10.65 2 2.7 0.3
64 -3 -1 1 23.128 46.257 0.255 10.42 2 49.9 94.0
65 0 4 1 23.27 46.539 0.256 10.27 2 42.0 65.6
66 2 -3 1 23.567 47.135 0.26 9.98 2 4.3 0.7
67 -3 4 0 23.674 47.349 0.261 9.88 2 6.3 1.4
68 2 2 1 23.854 47.707 0.263 9.71 2 15.5 8.4
69 -1 5 0 24.261 48.521 0.267 9.35 2 10.1 3.5
70 -3 4 1 24.3 48.599 0.267 9.31 2 66.3 148.1
71 3 2 0 24.403 48.806 0.268 9.22 2 49.5 81.7
72 -2 5 0 24.948 49.896 0.274 8.77 2 32.5 33.6
73 0 -4 1 24.971 49.941 0.274 8.75 2 22.9 16.7
74 1 -4 1 25.004 50.008 0.274 8.73 2 5.0 0.8
75 -4 1 0 25.02 50.039 0.275 8.71 2 8.6 2.3
76 -4 2 0 25.046 50.091 0.275 8.69 2 11.6 4.3
77 3 -1 1 25.271 50.542 0.277 8.52 2 36.6 41.3
78 -4 2 1 25.31 50.62 0.278 8.49 2 14.3 6.3
79 0 5 0 25.394 50.788 0.278 8.42 2 35.7 38.8
80 -2 -3 1 25.45 50.9 0.279 8.38 2 30.1 27.5
81 -4 1 1 25.489 50.978 0.279 8.35 2 23.9 17.3
82 -1 1 2 25.554 51.108 0.28 8.31 2 5.1 0.8
83 3 0 1 25.725 51.451 0.282 8.18 2 4.1 0.5
84 -1 0 2 25.819 51.637 0.283 8.11 2 45.5 60.7
85 3 -2 1 25.899 51.799 0.284 8.06 2 2.2 0.1
86 4 0 0 26.077 52.155 0.285 7.93 2 31.6 28.7
87 -2 5 1 26.085 52.17 0.285 7.93 2 32.9 31.0
88 -4 3 0 26.153 52.306 0.286 7.88 2 7.7 1.7
89 -1 5 1 26.158 52.316 0.286 7.87 2 21.1 12.7
90 -4 3 1 26.21 52.42 0.287 7.84 2 42.7 51.7
91 -3 -2 1 26.235 52.47 0.287 7.82 2 2.5 0.2
92 -2 1 2 26.327 52.655 0.288 7.76 2 46.0 59.3
93 -1 2 2 26.362 52.724 0.288 7.74 2 39.7 44.0
94 0 0 2 26.406 52.812 0.289 7.71 2 15.6 6.8
95 0 1 2 26.537 53.073 0.29 7.62 2 33.6 31.1
96 1 4 1 26.562 53.124 0.29 7.6 2 22.8 14.2
97 -1 -4 1 26.702 53.405 0.292 7.51 2 50.6 69.6
98 -4 0 1 26.731 53.462 0.292 7.5 2 1.2 0.0
99 -2 2 2 26.734 53.468 0.292 7.49 2 30.1 24.6
100 2 -4 1 26.798 53.596 0.293 7.45 2 34.4 32.0
101 -2 0 2 26.973 53.947 0.294 7.34 2 2.3 0.1
102 -1 -1 2 27.134 54.268 0.296 7.24 2 0.9 0.0
103 2 3 1 27.163 54.326 0.296 7.23 2 36.4 34.6
104 3 1 1 27.224 54.449 0.297 7.19 2 52.3 71.2
105 2 4 0 27.236 54.471 0.297 7.18 2 28.8 21.5
106 0 -1 2 27.322 54.644 0.298 7.13 2 7.2 1.3
107 -3 5 0 27.355 54.711 0.298 7.11 2 50.2 64.9
108 3 -3 1 27.558 55.117 0.3 6.99 2 27.9 19.7
109 0 2 2 27.704 55.408 0.302 6.91 2 4.7 0.6
110 -3 5 1 27.728 55.457 0.302 6.9 2 20.3 10.3
111 0 5 1 27.938 55.876 0.304 6.78 2 19.6 9.5
112 -4 4 1 28.115 56.23 0.306 6.68 2 11.5 3.2
113 4 1 0 28.131 56.263 0.306 6.67 2 21.4 11.1
114 -2 3 2 28.162 56.324 0.306 6.66 2 37.3 33.4
115 -1 3 2 28.178 56.357 0.307 6.65 2 31.2 23.5
116 1 5 0 28.188 56.376 0.307 6.64 2 24.0 13.9
117 3 3 0 28.232 56.464 0.307 6.62 2 19.2 8.9
118 -4 4 0 28.251 56.503 0.307 6.61 2 29.5 20.8
119 -2 -1 2 28.623 57.246 0.311 6.42 2 2.9 0.2
120 1 0 2 28.661 57.321 0.311 6.4 2 10.8 2.7
121 -3 1 2 28.758 57.516 0.312 6.35 2 41.3 39.2
122 -3 2 2 28.775 57.549 0.312 6.34 2 5.3 0.6
123 -4 -1 1 28.941 57.882 0.314 6.26 2 38.6 33.8
124 1 1 2 29.152 58.303 0.316 6.16 2 22.8 11.6
125 1 -1 2 29.166 58.332 0.316 6.15 2 22.5 11.3
126 0 -2 2 29.218 58.436 0.317 6.13 2 37.0 30.4
127 -1 -2 2 29.403 58.806 0.319 6.04 2 11.6 2.9
128 1 -5 1 29.481 58.963 0.319 6.0 2 15.2 5.0
129 -1 6 0 29.623 59.245 0.321 5.94 2 41.4 36.9
130 3 2 1 29.66 59.319 0.321 5.92 2 34.6 25.7
131 -3 0 2 29.731 59.461 0.322 5.89 2 9.0 1.7
132 -3 3 2 29.779 59.558 0.322 5.87 2 37.0 29.1
133 0 -5 1 29.813 59.627 0.323 5.85 2 13.7 4.0
134 0 3 2 29.826 59.653 0.323 5.85 2 22.5 10.7
135 -2 6 0 29.865 59.731 0.323 5.83 2 23.9 12.0
136 -2 -4 1 29.986 59.971 0.324 5.78 2 42.6 37.9
137 -3 -3 1 30.082 60.165 0.325 5.74 2 36.1 27.0
138 3 -4 1 30.133 60.266 0.326 5.72 2 20.6 8.8
139 -2 4 2 30.517 61.033 0.33 5.56 2 21.5 9.3
140 1 2 2 30.608 61.217 0.331 5.52 2 2.5 0.1
141 1 -2 2 30.636 61.272 0.331 5.51 2 49.7 49.2
142 -2 6 1 30.698 61.397 0.331 5.48 2 4.0 0.3
143 2 -5 1 30.747 61.494 0.332 5.47 2 15.1 4.5
144 -1 4 2 30.886 61.773 0.333 5.41 2 18.9 7.0
145 -4 5 1 30.904 61.808 0.333 5.4 2 23.1 10.4
146 0 6 0 30.971 61.942 0.334 5.38 2 1.3 0.0
147 4 2 0 31.054 62.108 0.335 5.35 2 20.4 8.0
148 -1 6 1 31.117 62.234 0.335 5.32 2 18.7 6.8
149 -2 -2 2 31.174 62.348 0.336 5.3 2 17.7 6.0
150 2 4 1 31.177 62.354 0.336 5.3 2 3.8 0.3
151 -4 5 0 31.212 62.424 0.336 5.29 2 23.4 10.5
152 1 5 1 31.231 62.461 0.337 5.28 2 19.2 7.0
153 -5 2 1 31.34 62.679 0.338 5.24 2 22.0 9.2
154 4 -1 1 31.399 62.798 0.338 5.22 2 43.0 34.9
155 4 -2 1 31.6 63.199 0.34 5.15 2 5.8 0.6
156 -3 -1 2 31.636 63.272 0.34 5.13 2 11.4 2.4
157 -3 6 0 31.678 63.356 0.341 5.12 2 11.6 2.5
158 -1 -5 1 31.713 63.426 0.341 5.11 2 21.2 8.3
159 -3 4 2 31.714 63.428 0.341 5.11 2 26.7 13.1
160 -5 2 0 31.76 63.519 0.342 5.09 2 5.6 0.6
161 -5 3 1 31.781 63.561 0.342 5.08 2 20.6 7.8
162 -3 6 1 31.842 63.685 0.342 5.06 2 5.4 0.5
163 -5 1 1 31.844 63.687 0.342 5.06 2 31.6 18.3
164 0 -3 2 31.986 63.972 0.344 5.01 2 11.9 2.5
165 -4 -2 1 31.994 63.988 0.344 5.01 2 25.2 11.5
166 -5 1 0 32.084 64.168 0.345 4.98 2 31.5 17.9
167 4 0 1 32.141 64.283 0.345 4.96 2 21.0 7.9
168 -4 2 2 32.28 64.56 0.347 4.91 2 35.0 21.8
169 2 0 2 32.358 64.716 0.347 4.89 2 29.9 15.8
170 2 5 0 32.362 64.724 0.347 4.89 2 8.9 1.4
171 -5 3 0 32.373 64.746 0.348 4.88 2 16.5 4.8
172 2 -1 2 32.487 64.973 0.349 4.85 2 2.1 0.1
173 -1 -3 2 32.506 65.011 0.349 4.84 2 21.4 8.1
174 -4 1 2 32.608 65.216 0.35 4.81 2 2.6 0.1
175 3 4 0 32.68 65.361 0.35 4.78 2 16.4 4.7
176 4 -3 1 32.733 65.466 0.351 4.77 2 2.4 0.1
177 0 4 2 32.793 65.586 0.352 4.75 2 11.9 2.4
178 -4 3 2 32.881 65.763 0.352 4.72 2 25.3 10.9
179 3 3 1 32.909 65.817 0.353 4.71 2 0.6 0.0
180 1 3 2 32.956 65.911 0.353 4.7 2 36.1 22.1
181 1 -3 2 32.995 65.991 0.353 4.69 2 27.8 13.1
182 0 6 1 33.064 66.129 0.354 4.67 2 33.1 18.5
183 -5 4 1 33.146 66.291 0.355 4.64 2 22.1 8.2
184 2 1 2 33.156 66.313 0.355 4.64 2 4.6 0.3
185 -5 0 1 33.269 66.537 0.356 4.6 2 28.7 13.7
186 5 0 0 33.331 66.662 0.357 4.59 2 22.0 8.0
187 3 -5 1 33.504 67.008 0.358 4.54 2 0.8 0.0
188 2 -2 2 33.537 67.073 0.359 4.53 2 17.5 5.0
189 -2 5 2 33.688 67.376 0.36 4.48 2 4.1 0.3
190 4 1 1 33.792 67.585 0.361 4.46 2 20.7 6.9
191 1 6 0 33.801 67.601 0.361 4.45 2 23.0 8.5
192 -4 0 2 33.852 67.704 0.362 4.44 2 37.1 22.1
193 -5 4 0 33.897 67.793 0.362 4.43 2 34.8 19.4
194 -1 5 2 34.373 68.747 0.366 4.3 2 13.4 2.8
195 -4 4 2 34.387 68.774 0.367 4.3 2 4.1 0.3
196 -3 -2 2 34.389 68.779 0.367 4.3 2 23.9 8.9
197 -4 6 1 34.463 68.926 0.367 4.28 2 32.4 16.3
198 1 -6 1 34.478 68.956 0.367 4.27 2 7.7 0.9
199 -3 5 2 34.494 68.988 0.368 4.27 2 17.7 4.8
200 -2 -3 2 34.519 69.038 0.368 4.26 2 33.9 17.8
201 -3 -4 1 34.56 69.12 0.368 4.25 2 17.7 4.8
202 4 3 0 34.732 69.463 0.37 4.21 2 34.8 18.4
203 4 -4 1 34.752 69.504 0.37 4.21 2 11.2 1.9
204 2 2 2 34.849 69.698 0.371 4.18 2 22.2 7.5
205 -4 6 0 34.923 69.847 0.372 4.16 2 45.1 30.7
206 -2 -5 1 35.038 70.076 0.373 4.14 2 14.4 3.1
207 0 -6 1 35.115 70.229 0.373 4.12 2 17.6 4.6
208 -2 7 0 35.228 70.456 0.374 4.09 2 0.2 0.0
209 2 -6 1 35.317 70.634 0.375 4.07 2 4.0 0.2
210 -1 7 0 35.336 70.672 0.375 4.07 2 18.7 5.2
211 -5 5 1 35.38 70.761 0.376 4.06 2 17.6 4.5
212 5 1 0 35.452 70.905 0.377 4.04 2 16.3 3.9
213 2 -3 2 35.467 70.935 0.377 4.04 2 55.7 45.3
214 0 -4 2 35.524 71.049 0.377 4.02 2 26.4 10.1
215 -5 -1 1 35.56 71.119 0.377 4.02 2 10.8 1.7
216 -4 -3 1 35.789 71.577 0.38 3.96 2 5.1 0.4
217 2 5 1 35.807 71.614 0.38 3.96 2 28.6 11.7
218 -2 7 1 35.828 71.655 0.38 3.96 2 27.3 10.7
219 -4 -1 2 35.965 71.93 0.381 3.93 2 10.8 1.7
220 1 4 2 36.11 72.219 0.383 3.9 2 19.5 5.4
221 1 -4 2 36.16 72.321 0.383 3.89 2 6.4 0.6
222 -5 5 0 36.276 72.552 0.384 3.86 2 15.9 3.5
223 4 2 1 36.293 72.586 0.384 3.86 2 34.5 16.7
224 -1 -4 2 36.346 72.691 0.385 3.85 2 7.7 0.8
225 1 6 1 36.415 72.831 0.385 3.83 2 29.7 12.2
226 0 5 2 36.512 73.023 0.386 3.81 2 37.9 19.8
227 -1 7 1 36.541 73.082 0.386 3.81 2 36.1 18.0
228 -3 7 1 36.566 73.132 0.387 3.8 2 19.7 5.3
229 -3 7 0 36.578 73.156 0.387 3.8 2 22.7 7.1
230 -4 5 2 36.746 73.492 0.388 3.77 2 26.7 9.7
231 3 4 1 36.881 73.763 0.39 3.74 2 16.2 3.6
232 0 7 0 36.897 73.793 0.39 3.74 2 36.5 18.1
233 -5 2 2 37.041 74.082 0.391 3.71 2 22.2 6.6
234 3 -1 2 37.085 74.17 0.391 3.7 2 0.5 0.0
235 -1 -6 1 37.194 74.388 0.392 3.68 2 16.9 3.8
236 -5 3 2 37.285 74.57 0.393 3.67 2 9.2 1.1
237 3 0 2 37.287 74.575 0.393 3.67 2 25.1 8.4
238 2 3 2 37.383 74.767 0.394 3.65 2 7.4 0.7
239 3 -6 1 37.589 75.178 0.396 3.61 2 38.6 19.5
240 4 -5 1 37.594 75.188 0.396 3.61 2 30.5 12.2
241 -2 6 2 37.594 75.189 0.396 3.61 2 35.2 16.2
242 -5 1 2 37.672 75.343 0.397 3.6 2 33.4 14.6
243 3 5 0 37.705 75.409 0.397 3.59 2 23.9 7.4
244 3 -2 2 37.757 75.514 0.397 3.58 2 33.7 14.7
245 -3 -3 2 37.916 75.832 0.399 3.56 2 14.9 2.9
246 2 6 0 37.956 75.911 0.399 3.55 2 25.5 8.3
247 -3 6 2 38.045 76.091 0.4 3.54 2 11.5 1.7
248 -6 2 1 38.199 76.398 0.401 3.51 2 44.7 25.4
249 5 -2 1 38.203 76.406 0.401 3.51 2 28.2 10.1
250 2 -4 2 38.225 76.449 0.402 3.51 2 5.3 0.3
251 -6 3 1 38.284 76.567 0.402 3.5 2 12.0 1.8
252 5 -1 1 38.339 76.678 0.403 3.49 2 12.6 2.0
253 3 1 2 38.359 76.717 0.403 3.49 2 27.1 9.2
254 5 2 0 38.39 76.779 0.403 3.48 2 11.6 1.7
255 -5 4 2 38.397 76.794 0.403 3.48 2 8.8 1.0
256 -5 6 1 38.425 76.849 0.403 3.48 2 1.9 0.0
257 -1 6 2 38.57 77.139 0.405 3.45 2 12.3 1.9
258 -2 -4 2 38.587 77.175 0.405 3.45 2 12.0 1.8
259 -5 -2 1 38.656 77.313 0.405 3.44 2 4.2 0.2
260 0 7 1 38.676 77.352 0.406 3.44 2 30.6 11.6
261 -4 7 1 38.725 77.451 0.406 3.43 2 8.5 0.9
262 -4 -2 2 38.894 77.788 0.408 3.4 2 38.7 18.4
263 5 -3 1 38.932 77.863 0.408 3.4 2 3.0 0.1
264 -6 1 1 38.979 77.959 0.408 3.39 2 6.0 0.4
265 4 4 0 39.103 78.207 0.409 3.37 2 7.2 0.6
266 -5 0 2 39.162 78.324 0.41 3.37 2 25.3 7.8
267 -6 2 0 39.175 78.351 0.41 3.36 2 17.5 3.7
268 -6 4 1 39.231 78.462 0.411 3.36 2 32.2 12.6
269 3 -3 2 39.287 78.574 0.411 3.35 2 19.1 4.4
270 -4 7 0 39.328 78.655 0.411 3.34 2 12.9 2.0
271 5 0 1 39.338 78.676 0.411 3.34 2 30.7 11.4
272 -6 3 0 39.421 78.842 0.412 3.33 2 44.9 24.3
273 -5 6 0 39.456 78.913 0.413 3.33 2 20.3 5.0
274 4 3 1 39.588 79.175 0.414 3.31 2 6.6 0.5
275 -3 -5 1 39.644 79.288 0.414 3.3 2 29.9 10.7
276 0 -5 2 39.778 79.556 0.415 3.28 2 11.2 1.5
277 -6 1 0 39.789 79.578 0.415 3.28 2 14.3 2.4
278 1 7 0 39.846 79.692 0.416 3.27 2 10.8 1.4
279 -4 6 2 39.908 79.815 0.416 3.27 2 17.2 3.5
280 1 5 2 40.014 80.027 0.417 3.25 2 18.8 4.2
281 1 -7 1 40.014 80.029 0.417 3.25 2 29.1 10.0
282 1 -5 2 40.075 80.15 0.418 3.25 2 16.3 3.1
283 3 2 2 40.277 80.554 0.42 3.22 2 13.2 2.0
284 -4 -4 1 40.279 80.557 0.42 3.22 2 26.4 8.1
285 -5 5 2 40.356 80.711 0.42 3.21 2 1.2 0.0
286 -1 1 3 40.422 80.844 0.421 3.2 2 28.9 9.7
287 -2 1 3 40.453 80.906 0.421 3.2 2 21.1 5.2
288 2 -7 1 40.497 80.995 0.422 3.19 2 19.3 4.3
289 5 -4 1 40.512 81.024 0.422 3.19 2 19.9 4.6
290 -6 4 0 40.522 81.043 0.422 3.19 2 1.2 0.0
291 -6 0 1 40.61 81.221 0.423 3.18 2 23.7 6.5
292 -2 2 3 40.622 81.243 0.423 3.18 2 27.0 8.4
293 -2 -6 1 40.638 81.276 0.423 3.18 2 7.3 0.6
294 2 4 2 40.712 81.424 0.423 3.17 2 34.2 13.4
295 -1 0 3 40.792 81.584 0.424 3.16 2 16.8 3.2
296 -1 -5 2 40.884 81.768 0.425 3.15 2 52.1 31.0
297 -1 2 3 40.905 81.81 0.425 3.15 2 23.3 6.2
298 0 -7 1 40.934 81.867 0.425 3.15 2 8.6 0.9
299 0 6 2 40.941 81.881 0.425 3.14 2 31.4 11.2
300 -6 5 1 41.025 82.051 0.426 3.14 2 0.4 0.0
301 2 6 1 41.051 82.103 0.426 3.13 2 1.6 0.0
302 -2 8 0 41.104 82.209 0.427 3.13 2 35.8 14.5
303 -2 0 3 41.137 82.274 0.427 3.12 2 24.9 7.0
304 5 1 1 41.182 82.363 0.427 3.12 2 9.3 1.0
305 4 -6 1 41.216 82.431 0.428 3.12 2 21.5 5.2
306 6 0 0 41.252 82.504 0.428 3.11 2 17.9 3.6
307 -5 -1 2 41.488 82.976 0.43 3.09 2 17.1 3.3
308 -2 8 1 41.516 83.032 0.43 3.08 2 4.8 0.3
309 -1 8 0 41.521 83.042 0.43 3.08 2 34.7 13.4
310 3 5 1 41.549 83.098 0.431 3.08 2 6.8 0.5
311 -2 3 3 41.64 83.281 0.431 3.07 2 30.5 10.3
312 3 -4 2 41.651 83.303 0.431 3.07 2 20.0 4.5
313 -3 2 3 41.735 83.47 0.432 3.06 2 18.8 3.9
314 2 -5 2 41.769 83.538 0.432 3.06 2 27.3 8.2
315 0 1 3 41.788 83.576 0.433 3.06 2 22.4 5.5
316 0 0 3 41.843 83.686 0.433 3.05 2 18.3 3.7
317 -3 1 3 41.88 83.761 0.433 3.05 2 17.5 3.4
318 -3 8 1 41.912 83.823 0.434 3.05 2 6.3 0.4
319 -1 -1 3 42.01 84.02 0.434 3.04 2 38.4 16.2
320 -3 8 0 42.082 84.165 0.435 3.03 2 18.0 3.5
321 5 3 0 42.106 84.212 0.435 3.03 2 38.7 16.4
322 1 7 1 42.17 84.341 0.436 3.02 2 31.1 10.6
323 -3 -4 2 42.184 84.369 0.436 3.02 2 22.5 5.6
324 -2 7 2 42.212 84.424 0.436 3.02 2 4.7 0.2
325 -1 3 3 42.235 84.471 0.436 3.02 2 8.7 0.8
326 -5 7 1 42.243 84.486 0.436 3.02 2 32.2 11.3
327 -3 7 2 42.338 84.677 0.437 3.01 2 2.1 0.0
328 3 -7 1 42.372 84.744 0.437 3.01 2 12.7 1.7
329 -3 3 3 42.437 84.874 0.438 3.0 2 1.8 0.0
330 -6 5 0 42.463 84.926 0.438 3.0 2 32.1 11.2
331 -1 8 1 42.513 85.025 0.439 2.99 2 31.4 10.7
332 -5 -3 1 42.526 85.053 0.439 2.99 2 1.9 0.0
333 0 2 3 42.581 85.161 0.439 2.99 2 30.6 10.1
334 -4 -3 2 42.606 85.212 0.439 2.99 2 3.4 0.1
335 -2 -1 3 42.665 85.331 0.44 2.98 2 6.2 0.4
336 0 -1 3 42.744 85.488 0.441 2.97 2 14.8 2.4
337 -3 0 3 42.872 85.745 0.442 2.96 2 29.6 9.4
338 4 -1 2 42.872 85.745 0.442 2.96 2 25.6 7.1
339 -6 3 2 42.898 85.796 0.442 2.96 2 28.5 8.7
340 5 -5 1 42.925 85.849 0.442 2.96 2 20.9 4.7
341 -6 2 2 42.975 85.949 0.442 2.96 2 6.3 0.4
342 3 3 2 43.02 86.041 0.443 2.95 2 13.8 2.0
343 -6 -1 1 43.073 86.145 0.443 2.95 2 19.8 4.2
344 -5 6 2 43.138 86.276 0.444 2.94 2 41.5 18.4
345 4 -2 2 43.21 86.421 0.444 2.94 2 25.3 6.8
346 -1 -7 1 43.238 86.476 0.445 2.94 2 10.3 1.1
347 0 8 0 43.325 86.651 0.445 2.93 2 27.6 8.1
348 3 6 0 43.352 86.704 0.446 2.93 2 2.6 0.1
349 -2 -5 2 43.373 86.745 0.446 2.93 2 24.1 6.2
350 4 0 2 43.379 86.758 0.446 2.93 2 23.8 6.0
351 -5 7 0 43.414 86.827 0.446 2.92 2 7.9 0.7
352 -1 7 2 43.474 86.947 0.447 2.92 2 32.1 10.9
353 -2 4 3 43.5 86.999 0.447 2.92 2 8.9 0.8
354 6 1 0 43.55 87.101 0.447 2.91 2 9.9 1.0
355 -6 6 1 43.649 87.297 0.448 2.91 2 8.3 0.7
356 4 4 1 43.655 87.311 0.448 2.91 2 20.0 4.2
357 -6 4 2 43.666 87.332 0.448 2.91 2 13.5 1.9
358 -4 8 1 43.694 87.388 0.448 2.9 2 14.4 2.2
359 -4 7 2 43.852 87.703 0.45 2.89 2 25.3 6.7
360 5 2 1 43.854 87.708 0.45 2.89 2 20.2 4.3
361 -6 1 2 43.895 87.791 0.45 2.89 2 28.1 8.3
362 -3 4 3 43.981 87.963 0.451 2.89 2 26.3 7.2
363 -1 -2 3 44.066 88.133 0.451 2.88 2 15.9 2.6
364 2 7 0 44.128 88.255 0.452 2.88 2 3.7 0.1
365 4 5 0 44.182 88.365 0.452 2.87 2 18.0 3.4
366 0 3 3 44.215 88.43 0.453 2.87 2 2.4 0.1
367 -4 2 3 44.229 88.458 0.453 2.87 2 20.2 4.2
368 1 0 3 44.275 88.55 0.453 2.87 2 23.8 5.9
369 4 -3 2 44.391 88.783 0.454 2.86 2 1.0 0.0
370 -1 4 3 44.403 88.806 0.454 2.86 2 20.5 4.4
371 -4 8 0 44.442 88.885 0.455 2.86 2 2.8 0.1
372 0 -2 3 44.486 88.973 0.455 2.86 2 10.6 1.2
373 1 1 3 44.532 89.064 0.455 2.85 2 1.2 0.0
374 -4 3 3 44.616 89.233 0.456 2.85 2 6.3 0.4
375 -5 -2 2 44.634 89.268 0.456 2.85 2 12.7 1.7
376 1 6 2 44.669 89.338 0.456 2.85 2 42.2 18.3
377 -4 1 3 44.685 89.37 0.456 2.84 2 12.7 1.7
378 -3 -1 3 44.705 89.409 0.457 2.84 2 9.3 0.9
379 4 1 2 44.729 89.458 0.457 2.84 2 26.4 7.2
380 1 -6 2 44.742 89.483 0.457 2.84 2 24.5 6.2
381 0 -6 2 44.76 89.52 0.457 2.84 2 27.0 7.5
382 2 5 2 44.826 89.653 0.458 2.84 2 19.6 3.9
383 3 -5 2 44.836 89.672 0.458 2.84 2 8.6 0.8
384 1 -1 3 44.861 89.723 0.458 2.84 2 4.0 0.2
385 0 8 1 44.891 89.781 0.458 2.83 2 12.1 1.5
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 1 0 4.92 9.84 8.98101 18.7 1.8 1.8 5.6
2 1 0 0 6.309 12.619 7.00919 923.4 89.5 89.5 5.6
3 -1 1 0 6.796 13.592 6.5093 1031.9 100.0 100.0 5.6
4 1 1 0 9.072 18.145 4.88508 223.8 21.7 21.6 5.6
5 -1 2 0 10.081 20.163 4.4004 96.9 9.4 9.3 5.6
6 -2 1 0 12.22 24.441 3.63905 290.3 28.1 27.9 5.6
7 2 0 0 12.697 25.394 3.5046 27.0 2.6 2.6 5.6
8 0 0 1 12.848 25.696 3.46407 109.4 10.6 10.5 5.6
9 -1 1 1 12.999 25.997 3.4246 33.6 3.3 3.2 5.6
10 -1 0 1 13.108 26.216 3.39647 33.3 3.2 3.2 5.6
11 1 2 0 13.228 26.456 3.36623 23.7 2.3 2.3 5.6
12 0 1 1 13.441 26.883 3.31373 22.6 2.2 2.2 5.6
13 0 -1 1 14.127 28.253 3.15601 812.0 78.7 77.9 5.6
14 -1 3 0 14.417 28.835 3.09371 31.1 3.0 3.0 5.6
15 0 3 0 14.91 29.82 2.99367 28.0 2.7 2.7 5.6
16 2 1 0 14.947 29.894 2.98648 45.7 4.4 4.4 5.6
17 -1 -1 1 15.0 30.0 2.97615 116.7 11.3 11.2 5.6
18 -2 1 1 15.487 30.975 2.88465 43.9 4.3 4.2 5.6
19 0 2 1 15.712 31.424 2.84443 20.2 2.0 1.9 5.6
20 1 -1 1 16.036 32.071 2.7885 353.4 34.2 33.8 5.6
21 -2 2 1 16.403 32.806 2.72771 157.5 15.3 15.0 5.6
22 -2 3 0 16.633 33.266 2.69102 20.6 2.0 2.0 5.6
23 0 -2 1 16.889 33.779 2.65133 10.6 1.0 1.0 5.7
24 -1 3 1 17.76 35.52 2.52523 204.5 19.8 19.5 5.7
25 1 3 0 17.91 35.82 2.50477 99.4 9.6 9.5 5.7
26 1 -2 1 18.021 36.043 2.48981 257.1 24.9 24.5 5.7
27 -1 -2 1 18.171 36.342 2.47001 87.2 8.5 8.3 5.7
28 2 2 0 18.383 36.765 2.44254 21.3 2.1 2.0 5.7
29 -3 1 0 18.412 36.824 2.43877 53.6 5.2 5.1 5.7
30 1 2 1 19.034 38.068 2.36189 108.8 10.5 10.3 5.7
31 0 3 1 19.125 38.251 2.35101 21.4 2.1 2.0 5.7
32 -1 4 0 19.191 38.382 2.34329 15.8 1.5 1.5 5.7
33 3 0 0 19.25 38.5 2.3364 199.3 19.3 18.9 5.7
34 -3 1 1 19.928 39.856 2.25997 11.1 1.1 1.1 5.7
35 2 -1 1 20.019 40.039 2.25005 27.0 2.6 2.6 5.7
36 2 0 1 20.085 40.17 2.24302 35.9 3.5 3.4 5.7
37 -3 2 1 20.196 40.391 2.23124 89.9 8.7 8.5 5.7
38 -2 4 0 20.493 40.986 2.2002 20.8 2.0 2.0 5.7
39 0 -3 1 20.614 41.228 2.18786 45.9 4.5 4.4 5.7
40 -3 3 0 20.794 41.588 2.16976 123.1 11.9 11.7 5.7
41 2 -2 1 21.234 42.468 2.12681 124.7 12.1 11.8 5.7
42 3 1 0 21.333 42.666 2.11741 10.5 1.0 1.0 5.7
43 2 1 1 21.421 42.841 2.10913 12.9 1.2 1.2 5.7
44 -2 -2 1 21.494 42.988 2.10225 66.0 6.4 6.2 5.7
45 -2 4 1 22.036 44.071 2.05308 63.2 6.1 6.0 5.7
46 2 3 0 22.552 45.105 2.00842 122.9 11.9 11.6 5.7
47 -3 -1 1 23.128 46.257 1.96104 94.0 9.1 8.9 5.7
48 0 4 1 23.27 46.539 1.94978 65.6 6.4 6.2 5.7
49 -3 4 1 24.3 48.599 1.87185 148.1 14.4 13.9 5.7
50 3 2 0 24.403 48.806 1.86438 81.7 7.9 7.7 5.7
51 -2 5 0 24.948 49.896 1.82619 50.3 4.9 4.7 5.7
52 3 -1 1 25.271 50.542 1.80437 41.3 4.0 3.9 5.8
53 0 5 0 25.394 50.788 1.7962 38.8 3.8 3.6 5.8
54 -2 -3 1 25.45 50.9 1.7925 27.5 2.7 2.6 5.8
55 -4 1 1 25.489 50.978 1.78994 17.3 1.7 1.6 5.8
56 -1 0 2 25.819 51.637 1.76864 60.7 5.9 5.7 5.8
57 -2 5 1 26.085 52.17 1.75181 59.8 5.8 5.6 5.8
58 -1 5 1 26.158 52.316 1.74727 14.4 1.4 1.4 5.8
59 -4 3 1 26.21 52.42 1.74405 51.9 5.0 4.9 5.8
60 -2 1 2 26.327 52.655 1.73682 59.3 5.7 5.6 5.8
61 -1 2 2 26.362 52.724 1.7347 44.0 4.3 4.1 5.8
62 0 1 2 26.537 53.073 1.72412 45.3 4.4 4.2 5.8
63 -1 -4 1 26.702 53.405 1.71419 69.7 6.8 6.5 5.8
64 -2 2 2 26.734 53.468 1.7123 24.6 2.4 2.3 5.8
65 2 -4 1 26.798 53.596 1.70853 32.0 3.1 3.0 5.8
66 2 3 1 27.163 54.326 1.68728 34.6 3.3 3.2 5.8
67 3 1 1 27.224 54.449 1.68376 92.7 9.0 8.6 5.8
68 -3 5 0 27.355 54.711 1.67632 64.9 6.3 6.1 5.8
69 3 -3 1 27.558 55.117 1.66493 19.7 1.9 1.8 5.8
70 4 1 0 28.131 56.263 1.63369 14.3 1.4 1.3 5.8
71 -2 3 2 28.162 56.324 1.63207 70.8 6.9 6.6 5.8
72 -4 4 0 28.251 56.503 1.62732 29.6 2.9 2.8 5.8
73 -3 1 2 28.758 57.516 1.60104 39.9 3.9 3.7 5.8
74 -4 -1 1 28.941 57.882 1.5918 33.8 3.3 3.1 5.8
75 1 1 2 29.152 58.303 1.58129 22.9 2.2 2.1 5.8
76 0 -2 2 29.218 58.436 1.578 30.4 2.9 2.8 5.8
77 -1 6 0 29.623 59.245 1.55837 36.9 3.6 3.4 5.8
78 3 2 1 29.66 59.319 1.5566 25.7 2.5 2.4 5.8
79 -3 3 2 29.779 59.558 1.55093 29.1 2.8 2.7 5.8
80 0 3 2 29.826 59.653 1.5487 14.7 1.4 1.4 5.8
81 -2 6 0 29.865 59.731 1.54686 12.0 1.2 1.1 5.8
82 -2 -4 1 29.986 59.971 1.54123 37.9 3.7 3.5 5.8
83 -3 -3 1 30.082 60.165 1.53673 27.0 2.6 2.5 5.8
84 1 -2 2 30.636 61.272 1.5116 49.2 4.8 4.5 5.8
85 -4 5 1 30.904 61.808 1.49976 17.4 1.7 1.6 5.8
86 -4 5 0 31.212 62.424 1.48644 17.5 1.7 1.6 5.8
87 4 -1 1 31.399 62.798 1.47847 34.9 3.4 3.2 5.9
88 -3 4 2 31.714 63.428 1.46531 21.5 2.1 2.0 5.9
89 -5 1 1 31.844 63.687 1.45996 18.3 1.8 1.7 5.9
90 -4 -2 1 31.994 63.988 1.45382 14.0 1.4 1.3 5.9
91 -5 1 0 32.084 64.168 1.45018 17.9 1.7 1.6 5.9
92 -4 2 2 32.28 64.56 1.44232 21.8 2.1 2.0 5.9
93 2 0 2 32.358 64.716 1.43922 22.0 2.1 2.0 5.9
94 -4 3 2 32.881 65.763 1.41883 10.9 1.1 1.0 5.9
95 1 3 2 32.956 65.911 1.41598 22.1 2.1 2.0 5.9
96 1 -3 2 32.995 65.991 1.41447 13.1 1.3 1.2 5.9
97 0 6 1 33.064 66.129 1.41185 18.5 1.8 1.7 5.9
98 -5 0 1 33.269 66.537 1.40417 13.7 1.3 1.3 5.9
99 1 6 0 33.801 67.601 1.38464 15.4 1.5 1.4 5.9
100 -4 0 2 33.852 67.704 1.38279 22.1 2.1 2.0 5.9
101 -5 4 0 33.897 67.793 1.38118 19.4 1.9 1.8 5.9
102 -3 -2 2 34.389 68.779 1.36378 11.9 1.2 1.1 5.9
103 -4 6 1 34.463 68.926 1.36121 17.2 1.7 1.6 5.9
104 -2 -3 2 34.519 69.038 1.35929 22.6 2.2 2.1 5.9
105 4 3 0 34.732 69.463 1.352 20.3 2.0 1.9 5.9
106 -4 6 0 34.923 69.847 1.34551 30.7 3.0 2.8 5.9
107 2 -3 2 35.467 70.935 1.32752 49.2 4.8 4.5 5.9
108 2 5 1 35.807 71.614 1.31658 22.4 2.2 2.0 5.9
109 4 2 1 36.293 72.586 1.30134 20.2 2.0 1.8 6.0
110 1 6 1 36.415 72.831 1.29756 12.2 1.2 1.1 6.0
111 0 5 2 36.512 73.023 1.29462 37.8 3.7 3.4 6.0
112 -3 7 0 36.578 73.156 1.2926 12.4 1.2 1.1 6.0
113 0 7 0 36.897 73.793 1.283 21.6 2.1 2.0 6.0
114 3 -6 1 37.589 75.178 1.26276 47.8 4.6 4.3 6.0
115 -5 1 2 37.672 75.343 1.26041 14.6 1.4 1.3 6.0
116 3 -2 2 37.757 75.514 1.25799 14.7 1.4 1.3 6.0
117 -6 2 1 38.199 76.398 1.24561 35.9 3.5 3.2 6.0
118 3 1 2 38.359 76.717 1.24123 11.3 1.1 1.0 6.0
119 0 7 1 38.676 77.352 1.23261 11.6 1.1 1.0 6.0
120 -4 -2 2 38.894 77.788 1.22679 18.4 1.8 1.7 6.0
121 -5 0 2 39.162 78.324 1.21973 11.5 1.1 1.0 6.0
122 -6 4 1 39.231 78.462 1.21793 12.6 1.2 1.1 6.0
123 5 0 1 39.338 78.676 1.21516 13.4 1.3 1.2 6.0
124 -6 3 0 39.421 78.842 1.21302 24.3 2.4 2.2 6.0
125 -3 -5 1 39.644 79.288 1.20731 10.7 1.0 1.0 6.0
126 1 -7 1 40.014 80.029 1.19798 14.1 1.4 1.3 6.0
127 -2 2 3 40.622 81.243 1.18312 15.5 1.5 1.4 6.1
128 2 4 2 40.712 81.424 1.18094 13.4 1.3 1.2 6.1
129 -1 -5 2 40.884 81.768 1.17685 37.2 3.6 3.3 6.1
130 0 6 2 40.941 81.881 1.1755 11.2 1.1 1.0 6.1
131 -2 8 0 41.104 82.209 1.17165 14.5 1.4 1.3 6.1
132 -1 8 0 41.521 83.042 1.162 14.0 1.4 1.2 6.1
133 -2 3 3 41.64 83.281 1.15927 14.8 1.4 1.3 6.1
134 2 -5 2 41.769 83.538 1.15635 13.8 1.3 1.2 6.1
135 -1 -1 3 42.01 84.02 1.15095 16.2 1.6 1.4 6.1
136 5 3 0 42.106 84.212 1.1488 19.9 1.9 1.8 6.1
137 1 7 1 42.17 84.341 1.14738 16.1 1.6 1.4 6.1
138 -5 7 1 42.243 84.486 1.14578 11.3 1.1 1.0 6.1
139 -6 5 0 42.463 84.926 1.14096 11.2 1.1 1.0 6.1
140 -1 8 1 42.513 85.025 1.13988 10.7 1.0 0.9 6.1
141 -3 0 3 42.872 85.745 1.13216 25.2 2.4 2.2 6.1
142 -5 6 2 43.138 86.276 1.12654 18.4 1.8 1.6 6.1
143 -2 -5 2 43.373 86.745 1.12165 12.2 1.2 1.1 6.1
144 -1 7 2 43.474 86.947 1.11956 11.7 1.1 1.0 6.1
145 -4 7 2 43.852 87.703 1.11184 11.0 1.1 1.0 6.2
146 1 6 2 44.669 89.338 1.09569 20.0 1.9 1.7 6.2
147 4 1 2 44.729 89.458 1.09453 13.3 1.3 1.2 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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