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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MOTTRAMITE
2, f-descloizite, g-descloizite
Pb[Cu(0.81)Zn(0.12)]VO(4)(OH)
Orthorhombic P nma Z = 4
R =0.036 NR =550
5 .3 .1996
Ref.Str.:
Cooper M.A., Hawthorne F.C. (1995)
* Canad. Mineral., 33, 1119-1124
Reserv:
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.667 alpha = 90.0
b = 6.053 beta = 90.0
c = 9.316 gamma = 90.0
Unit cell volume (cub. angs.) = 432.34
Molar volume ( cub.cm/mol.) = 65.1
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.0 0.0 0.0 Cu = 1.00
2 0.1319 0.25 0.1737 0.0 Pb = 1.00
3 0.8778 0.75 0.1939 0.0 V = 1.00
4 0.8847 0.507 0.2954 0.0 O = 1.00
5 0.053 0.75 0.085 0.0 O = 1.00
6 0.703 0.75 0.081 0.0 O = 1.00
7 0.637 0.25 0.063 0.0 OH = 1.00
8 0.71 0.25 0.98 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.0 0.0
2 2 0.1319 0.25 0.1737
3 3 0.8778 0.75 0.1939
4 4 0.8847 0.507 0.2954
5 5 0.053 0.75 0.085
6 6 0.703 0.75 0.081
7 7 0.637 0.25 0.063
8 8 0.71 0.25 0.98
9 1 0.0 0.0 0.5
10 2 0.3681 0.75 0.6737
11 3 0.6222 0.25 0.6939
12 4 0.6153 0.493 0.7954
13 5 0.447 0.25 0.585
14 6 0.797 0.25 0.581
15 7 0.863 0.75 0.563
16 8 0.79 0.75 0.48
17 1 0.0 0.5 0.5
18 4 0.6153 0.007 0.7954
19 1 0.5 0.5 0.0
20 4 0.8847 0.993 0.2954
21 2 0.6319 0.25 0.3263
22 3 0.3778 0.75 0.3061
23 4 0.3847 0.507 0.2046
24 5 0.553 0.75 0.415
25 6 0.203 0.75 0.419
26 7 0.137 0.25 0.437
27 8 0.21 0.25 0.52
28 2 0.8681 0.75 0.8263
29 3 0.1222 0.25 0.8061
30 4 0.1153 0.493 0.7046
31 5 0.947 0.25 0.915
32 6 0.297 0.25 0.919
33 7 0.363 0.75 0.937
34 8 0.29 0.75 0.02
35 4 0.1153 0.007 0.7046
36 4 0.3847 0.993 0.2046
X-ray density (g/cm cub.) = 6.2
MU (1/cm) = 986.511 Mass attenuation coefficient (cm**2/g) = 159.112
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 2.856 6
2.2982 6
1.9333 7
2.1015 4
2.2982 6
1.9333 7
2.1015 4
2 Pb 3.192 7
2.7012 4
2.7012 4
2.5021 4
2.4532 7
2.7959 5
2.6895 6
2.5021 4
3 V 2.544 4
1.7494 4
1.6833 5
1.7036 6
1.7494 4
4 O 3.312 10
2.7696 5
2.8449 6
3.2732 7
3.1545 6
2.8993 7
2.9418 4
3.1112 4
3.1421 5
3.0733 6
2.811 7
5 O 3.312 6
2.7696 4
2.6837 6
2.7696 4
3.1421 4
2.7477 7
3.1421 4
6 O 3.312 10
2.8449 4
2.6837 5
3.0731 7
3.0731 7
3.1545 4
3.1545 4
2.8449 4
3.0733 4
2.9317 7
3.0733 4
7 OH 3.36 10
3.2732 4
3.0731 6
3.0731 6
2.8993 4
2.8993 4
3.2732 4
2.811 4
2.7477 5
2.9317 6
2.811 4
8 H 1.68 1
0.9545 7
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 1 0 1 7.476 14.953 0.084 115.18 4 8.7 18.7
2 0 1 1 8.729 17.458 0.099 83.9 4 172.9 5367.7
3 0 0 2 9.519 19.037 0.107 70.21 2 113.0 958.7
4 1 1 1 10.486 20.973 0.118 57.47 8 105.9 2759.0
5 1 0 2 11.157 22.314 0.126 50.52 4 131.6 1873.5
6 2 0 0 11.592 23.183 0.13 46.65 2 76.5 291.8
7 2 0 1 12.549 25.099 0.141 39.5 4 158.5 2124.7
8 1 1 2 13.391 26.781 0.15 34.44 8 95.5 1344.8
9 2 1 0 13.759 27.518 0.154 32.51 4 337.5 7925.5
10 2 1 1 14.584 29.169 0.163 28.72 8 24.2 71.8
11 0 2 0 14.745 29.489 0.165 28.06 2 266.9 2138.0
12 2 0 2 15.084 30.168 0.169 26.72 4 96.4 531.4
13 1 0 3 15.523 31.046 0.174 25.13 4 295.4 4690.7
14 0 1 3 16.188 32.376 0.181 22.95 4 28.8 40.9
15 1 2 1 16.609 33.219 0.186 21.71 8 201.0 3754.9
16 2 1 2 16.839 33.678 0.188 21.07 8 197.0 3499.2
17 1 1 3 17.238 34.476 0.192 20.03 8 235.7 4762.2
18 0 2 2 17.669 35.338 0.197 18.97 4 211.1 1809.7
19 3 0 1 18.212 36.424 0.203 17.76 4 149.8 852.8
20 2 0 3 18.616 37.232 0.207 16.92 4 71.7 186.3
21 1 2 2 18.646 37.291 0.208 16.86 8 87.7 555.0
22 2 2 0 18.921 37.843 0.21 16.32 4 123.7 534.2
23 0 0 4 19.313 38.627 0.215 15.6 2 13.8 3.2
24 2 2 1 19.551 39.102 0.217 15.18 8 227.7 3369.7
25 3 1 1 19.722 39.443 0.219 14.89 8 50.1 160.3
26 2 1 3 20.1 40.199 0.223 14.28 8 2.7 0.4
27 3 0 2 20.108 40.215 0.223 14.26 4 133.5 544.0
28 1 0 4 20.222 40.444 0.224 14.09 4 184.7 1028.5
29 2 2 2 21.346 42.692 0.236 12.48 8 80.1 342.8
30 3 1 2 21.505 43.01 0.238 12.27 8 145.6 1113.2
31 1 1 4 21.613 43.226 0.239 12.14 8 138.9 1002.8
32 1 2 3 21.674 43.348 0.24 12.06 8 141.7 1037.2
33 2 0 4 22.767 45.534 0.251 10.79 4 95.7 211.5
34 3 0 3 22.976 45.952 0.253 10.57 4 127.1 365.8
35 0 3 1 22.993 45.986 0.254 10.56 4 152.3 523.8
36 4 0 0 23.695 47.39 0.261 9.86 2 248.6 652.4
37 3 2 1 23.769 47.539 0.262 9.79 8 17.8 13.2
38 1 3 1 23.787 47.573 0.262 9.78 8 92.0 353.9
39 2 1 4 24.04 48.08 0.264 9.54 8 59.6 145.2
40 2 2 3 24.096 48.192 0.265 9.49 8 11.5 5.4
41 4 0 1 24.223 48.446 0.266 9.38 4 49.7 49.7
42 3 1 3 24.24 48.481 0.267 9.36 8 183.0 1342.0
43 0 2 4 24.666 49.332 0.271 9.0 4 189.7 693.3
44 4 1 0 24.932 49.863 0.274 8.78 4 43.5 35.6
45 1 0 5 25.179 50.358 0.276 8.59 4 29.0 15.4
46 3 2 2 25.324 50.649 0.278 8.48 8 89.6 291.5
47 1 3 2 25.341 50.682 0.278 8.47 8 82.9 248.8
48 1 2 4 25.42 50.84 0.279 8.41 8 125.1 563.4
49 4 1 1 25.44 50.88 0.279 8.39 8 162.1 943.9
50 2 3 0 25.558 51.115 0.28 8.3 4 282.6 1418.9
51 0 1 5 25.63 51.26 0.281 8.25 4 163.9 474.1
52 4 0 2 25.757 51.515 0.282 8.16 4 283.7 1404.9
53 2 3 1 26.057 52.115 0.285 7.94 8 19.9 13.4
54 1 1 5 26.364 52.728 0.288 7.74 8 148.3 728.1
55 3 0 4 26.581 53.163 0.29 7.59 4 104.8 178.3
56 4 1 2 26.924 53.848 0.294 7.37 8 15.0 7.1
57 0 3 3 27.083 54.165 0.296 7.28 4 24.5 9.3
58 2 0 5 27.365 54.731 0.298 7.11 4 137.0 285.6
59 2 3 2 27.518 55.036 0.3 7.02 8 166.4 832.0
60 2 2 4 27.593 55.185 0.301 6.97 8 80.1 191.7
61 3 1 4 27.724 55.448 0.302 6.9 8 128.6 488.3
62 3 2 3 27.774 55.549 0.302 6.87 8 314.3 2904.1
63 1 3 3 27.79 55.58 0.303 6.86 8 206.3 1249.8
64 4 0 3 28.181 56.362 0.307 6.65 4 8.8 1.1
65 4 2 0 28.404 56.808 0.309 6.53 4 332.7 1547.1
66 2 1 5 28.486 56.973 0.31 6.49 8 14.8 6.1
67 4 2 1 28.869 57.739 0.313 6.29 8 31.3 26.5
68 4 1 3 29.282 58.563 0.317 6.1 8 21.8 12.4
69 3 3 1 29.563 59.126 0.32 5.97 8 50.6 65.3
70 1 2 5 29.72 59.441 0.322 5.9 8 237.9 1427.7
71 0 0 6 29.742 59.485 0.322 5.89 2 286.1 515.5
72 2 3 3 29.844 59.689 0.323 5.84 8 2.0 0.1
73 4 2 2 30.239 60.478 0.327 5.67 8 54.1 71.2
74 1 0 6 30.409 60.818 0.329 5.6 4 22.3 5.9
75 0 4 0 30.599 61.198 0.33 5.52 2 428.1 1083.2
76 5 0 1 30.604 61.207 0.33 5.52 4 151.3 270.6
77 3 0 5 30.772 61.544 0.332 5.46 4 236.6 653.6
78 3 3 2 30.914 61.827 0.333 5.4 8 125.9 366.5
79 3 2 4 30.983 61.966 0.334 5.37 8 54.1 67.3
80 1 3 4 30.997 61.995 0.334 5.37 8 116.6 312.4
81 4 0 4 31.363 62.727 0.338 5.23 4 128.7 185.3
82 1 1 6 31.461 62.923 0.339 5.2 8 2.4 0.1
83 5 1 1 31.652 63.304 0.341 5.13 8 94.5 196.2
84 1 4 1 31.695 63.389 0.341 5.11 8 6.2 0.8
85 2 2 5 31.696 63.393 0.341 5.11 8 122.9 330.6
86 3 1 5 31.817 63.634 0.342 5.07 8 147.8 474.1
87 5 0 2 31.928 63.856 0.343 5.03 4 113.5 138.7
88 0 4 2 32.358 64.717 0.347 4.89 4 81.5 69.4
89 2 0 6 32.361 64.722 0.347 4.89 4 63.9 42.7
90 4 1 4 32.398 64.796 0.348 4.87 8 14.0 4.1
91 4 2 3 32.444 64.888 0.348 4.86 8 0.8 0.0
92 2 3 4 32.929 65.859 0.353 4.71 8 57.2 65.9
93 5 1 2 32.953 65.906 0.353 4.7 8 52.3 55.1
94 1 4 2 32.995 65.989 0.353 4.69 8 100.8 203.9
95 3 3 3 33.093 66.186 0.354 4.66 8 165.5 545.9
96 2 4 0 33.178 66.357 0.355 4.63 4 61.2 37.1
97 2 1 6 33.379 66.757 0.357 4.57 8 236.4 1093.6
98 2 4 1 33.605 67.209 0.359 4.51 8 127.4 313.0
99 4 3 0 33.662 67.325 0.36 4.49 4 39.1 14.7
100 0 2 6 33.888 67.777 0.362 4.43 4 111.4 117.6
101 5 0 3 34.072 68.145 0.364 4.38 4 50.8 24.2
102 4 3 1 34.085 68.171 0.364 4.38 8 149.8 420.1
103 0 3 5 34.245 68.489 0.365 4.33 4 146.1 197.9
104 1 2 6 34.51 69.021 0.368 4.27 8 14.3 3.7
105 5 2 1 34.692 69.385 0.369 4.22 8 3.7 0.2
106 3 2 5 34.85 69.7 0.371 4.18 8 101.3 183.7
107 1 3 5 34.864 69.727 0.371 4.18 8 136.1 331.4
108 2 4 2 34.868 69.736 0.371 4.18 8 79.6 113.3
109 5 1 3 35.065 70.131 0.373 4.13 8 204.8 741.1
110 1 4 3 35.106 70.212 0.373 4.12 8 234.7 971.5
111 4 0 5 35.208 70.417 0.374 4.1 4 21.7 4.1
112 4 3 2 35.341 70.682 0.375 4.06 8 15.3 4.1
113 4 2 4 35.406 70.811 0.376 4.05 8 7.0 0.9
114 3 0 6 35.484 70.969 0.377 4.03 4 18.4 2.9
115 5 2 2 35.938 71.876 0.381 3.93 8 96.4 156.4
116 1 0 7 35.976 71.951 0.381 3.92 4 48.5 19.8
117 3 3 4 36.029 72.058 0.382 3.91 8 115.3 222.8
118 4 1 5 36.187 72.375 0.383 3.88 8 123.8 254.5
119 0 1 7 36.342 72.685 0.385 3.85 4 178.4 262.1
120 2 2 6 36.347 72.695 0.385 3.85 8 89.9 133.1
121 3 1 6 36.46 72.921 0.386 3.82 8 9.1 1.4
122 3 4 1 36.678 73.356 0.388 3.78 8 130.9 277.3
123 2 3 5 36.693 73.386 0.388 3.78 8 13.3 2.9
124 2 4 3 36.93 73.86 0.39 3.73 8 38.8 24.0
125 1 1 7 36.946 73.892 0.39 3.73 8 12.8 2.6
126 5 0 4 36.973 73.946 0.39 3.72 4 162.4 210.4
127 6 0 0 37.071 74.142 0.391 3.71 2 114.7 52.2
128 0 4 4 37.375 74.751 0.394 3.65 4 11.1 1.0
129 4 3 3 37.392 74.784 0.394 3.65 8 13.4 2.8
130 6 0 1 37.477 74.954 0.395 3.63 4 99.8 77.4
131 2 0 7 37.783 75.566 0.398 3.58 4 146.2 163.8
132 3 4 2 37.897 75.794 0.399 3.56 8 99.5 150.8
133 5 1 4 37.934 75.868 0.399 3.55 8 84.6 108.9
134 1 4 4 37.973 75.946 0.399 3.55 8 137.7 288.0
135 5 2 3 37.977 75.954 0.399 3.55 8 228.4 792.4
136 6 1 0 38.031 76.062 0.4 3.54 4 274.3 569.9
137 6 1 1 38.434 76.868 0.403 3.47 8 53.6 42.8
138 6 0 2 38.688 77.375 0.406 3.44 4 56.7 23.6
139 2 1 7 38.737 77.474 0.406 3.43 8 17.0 4.2
140 4 2 5 39.067 78.134 0.409 3.38 8 22.6 7.4
141 3 2 6 39.333 78.666 0.411 3.34 8 21.3 6.5
142 1 3 6 39.346 78.692 0.412 3.34 8 0.4 0.0
143 5 3 1 39.519 79.038 0.413 3.32 8 86.4 105.9
144 6 1 2 39.635 79.27 0.414 3.3 8 126.4 225.8
145 3 3 5 39.67 79.339 0.414 3.3 8 134.7 256.1
146 4 0 6 39.676 79.352 0.414 3.3 4 140.9 140.1
147 2 4 4 39.749 79.498 0.415 3.29 8 77.6 84.7
148 1 2 7 39.807 79.614 0.416 3.28 8 64.4 58.2
149 3 4 3 39.901 79.802 0.416 3.27 8 103.6 150.0
150 0 5 1 39.913 79.827 0.416 3.27 4 119.7 100.1
151 4 3 4 40.201 80.402 0.419 3.23 8 12.4 2.1
152 4 4 0 40.432 80.863 0.421 3.2 4 191.6 251.7
153 1 5 1 40.5 81.0 0.422 3.19 8 73.7 74.3
154 5 0 5 40.585 81.171 0.422 3.18 4 147.1 147.5
155 4 1 6 40.617 81.235 0.423 3.18 8 28.0 10.6
156 6 0 3 40.681 81.361 0.423 3.17 4 0.9 0.0
157 5 3 2 40.712 81.423 0.423 3.17 8 48.3 31.6
158 3 0 7 40.735 81.47 0.424 3.17 4 118.6 95.3
159 5 2 4 40.774 81.547 0.424 3.16 8 135.4 248.1
160 4 4 1 40.828 81.656 0.424 3.16 8 38.5 20.0
161 6 2 0 40.869 81.738 0.425 3.15 4 14.8 1.5
162 2 3 6 41.106 82.211 0.427 3.13 8 214.1 613.7
163 6 2 1 41.264 82.528 0.428 3.11 8 138.2 254.2
164 0 0 8 41.412 82.824 0.429 3.1 2 157.6 82.3
165 5 1 5 41.522 83.044 0.43 3.08 8 132.4 231.5
166 1 4 5 41.56 83.121 0.431 3.08 8 29.2 11.2
167 2 2 7 41.562 83.124 0.431 3.08 8 159.8 336.6
168 6 1 3 41.617 83.234 0.431 3.07 8 2.0 0.1
169 3 1 7 41.671 83.342 0.432 3.07 8 25.5 8.5
170 1 5 2 41.686 83.372 0.432 3.07 8 76.3 76.5
171 2 5 0 41.855 83.711 0.433 3.05 4 238.2 370.6
172 1 0 8 41.994 83.988 0.434 3.04 4 94.7 58.4
173 4 4 2 42.012 84.025 0.434 3.04 8 225.4 660.3
174 2 5 1 42.249 84.498 0.436 3.02 8 17.1 3.8
175 6 2 2 42.447 84.893 0.438 3.0 8 97.8 122.9
176 3 4 4 42.667 85.335 0.44 2.98 8 85.7 93.8
177 5 3 3 42.684 85.367 0.44 2.98 8 188.2 451.4
178 1 1 8 42.926 85.851 0.442 2.96 8 98.5 122.8
179 0 5 3 43.072 86.145 0.443 2.95 4 12.7 1.0
180 2 4 5 43.303 86.605 0.445 2.93 8 117.4 172.9
181 4 2 6 43.417 86.835 0.446 2.92 8 265.9 884.9
182 2 5 2 43.428 86.855 0.446 2.92 8 143.3 256.9
183 6 0 4 43.438 86.876 0.446 2.92 4 49.1 15.0
184 1 5 3 43.652 87.303 0.448 2.91 8 164.2 335.4
185 2 0 8 43.734 87.468 0.449 2.9 4 80.3 40.0
186 4 3 5 43.748 87.496 0.449 2.9 8 114.9 163.9
187 0 3 7 43.896 87.792 0.45 2.89 4 165.6 169.6
188 4 4 3 43.976 87.952 0.451 2.89 8 6.8 0.6
189 3 3 6 44.009 88.018 0.451 2.88 8 7.5 0.7
190 5 2 5 44.314 88.628 0.453 2.87 8 44.0 23.8
191 6 1 4 44.367 88.734 0.454 2.86 8 64.8 51.5
192 6 2 3 44.408 88.817 0.454 2.86 8 27.2 9.1
193 3 2 7 44.462 88.924 0.455 2.86 8 43.8 23.5
194 1 3 7 44.475 88.949 0.455 2.86 8 10.1 1.2
195 2 1 8 44.662 89.325 0.456 2.85 8 187.5 428.1
196 4 0 7 44.799 89.598 0.457 2.84 4 38.2 8.9
197 5 0 6 44.912 89.823 0.458 2.83 4 21.6 2.8
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 1 8.729 17.458 5.0757 5367.7 67.7 68.2 5.6
2 0 0 2 9.519 19.037 4.658 958.7 12.1 12.2 5.6
3 1 1 1 10.486 20.973 4.23229 2759.0 34.8 35.0 5.6
4 1 0 2 11.157 22.314 3.9809 1873.5 23.6 23.7 5.6
5 2 0 0 11.592 23.183 3.8335 291.8 3.7 3.7 5.6
6 2 0 1 12.549 25.099 3.54509 2124.7 26.8 26.9 5.6
7 1 1 2 13.391 26.781 3.32605 1344.8 17.0 17.0 5.6
8 2 1 0 13.759 27.518 3.23863 7925.5 100.0 100.0 5.6
9 0 2 0 14.745 29.489 3.0265 2138.0 27.0 26.9 5.6
10 2 0 2 15.084 30.168 2.95997 531.4 6.7 6.7 5.6
11 1 0 3 15.523 31.046 2.87821 4690.7 59.2 59.0 5.6
12 1 2 1 16.609 33.219 2.69476 3754.9 47.4 47.2 5.6
13 2 1 2 16.839 33.678 2.65907 3499.2 44.2 43.9 5.7
14 1 1 3 17.238 34.476 2.59932 4762.2 60.1 59.7 5.7
15 0 2 2 17.669 35.338 2.53785 1809.7 22.8 22.7 5.7
16 3 0 1 18.212 36.424 2.46461 852.8 10.8 10.7 5.7
17 2 0 3 18.616 37.232 2.41298 186.3 2.4 2.3 5.7
18 1 2 2 18.646 37.291 2.40929 555.0 7.0 6.9 5.7
19 2 2 0 18.921 37.843 2.37543 534.2 6.7 6.7 5.7
20 2 2 1 19.551 39.102 2.30178 3369.7 42.5 42.1 5.7
21 3 1 1 19.722 39.443 2.28264 160.3 2.0 2.0 5.7
22 3 0 2 20.108 40.215 2.24058 544.0 6.9 6.8 5.7
23 1 0 4 20.222 40.444 2.22845 1028.5 13.0 12.8 5.7
24 2 2 2 21.346 42.692 2.11615 342.8 4.3 4.3 5.7
25 3 1 2 21.505 43.01 2.10125 1113.2 14.0 13.8 5.7
26 1 1 4 21.613 43.226 2.09123 1002.8 12.7 12.5 5.7
27 1 2 3 21.674 43.348 2.08566 1037.2 13.1 12.9 5.7
28 2 0 4 22.767 45.534 1.99045 211.5 2.7 2.6 5.7
29 0 3 1 22.993 45.986 1.97195 889.6 11.2 11.0 5.7
30 4 0 0 23.695 47.39 1.91675 652.4 8.2 8.1 5.7
31 1 3 1 23.787 47.573 1.90979 367.1 4.6 4.5 5.7
32 2 1 4 24.04 48.08 1.89084 145.2 1.8 1.8 5.7
33 3 1 3 24.24 48.481 1.87613 1391.7 17.6 17.2 5.7
34 0 2 4 24.666 49.332 1.84575 693.3 8.7 8.6 5.7
35 3 2 2 25.324 50.649 1.8008 540.4 6.8 6.7 5.8
36 4 1 1 25.44 50.88 1.79315 1507.3 19.0 18.6 5.8
37 2 3 0 25.558 51.115 1.78546 1418.9 17.9 17.5 5.8
38 0 1 5 25.63 51.26 1.78075 474.1 6.0 5.8 5.8
39 4 0 2 25.757 51.515 1.77254 1404.9 17.7 17.3 5.8
40 1 1 5 26.364 52.728 1.73457 728.1 9.2 9.0 5.8
41 3 0 4 26.581 53.163 1.72142 178.3 2.2 2.2 5.8
42 2 0 5 27.365 54.731 1.67575 285.6 3.6 3.5 5.8
43 2 3 2 27.518 55.036 1.66718 832.0 10.5 10.2 5.8
44 2 2 4 27.593 55.185 1.66302 191.7 2.4 2.3 5.8
45 3 1 4 27.724 55.448 1.65576 488.3 6.2 6.0 5.8
46 3 2 3 27.774 55.549 1.65299 4153.9 52.4 50.9 5.8
47 4 2 0 28.404 56.808 1.61931 1547.1 19.5 18.9 5.8
48 1 2 5 29.72 59.441 1.55372 1943.2 24.5 23.7 5.8
49 0 4 0 30.599 61.198 1.51325 1353.8 17.1 16.5 5.8
50 3 0 5 30.772 61.544 1.50557 653.6 8.2 7.9 5.8
51 3 3 2 30.914 61.827 1.49934 366.5 4.6 4.5 5.8
52 1 3 4 30.997 61.995 1.49569 379.6 4.8 4.6 5.8
53 4 0 4 31.363 62.727 1.47999 185.3 2.3 2.2 5.8
54 5 1 1 31.652 63.304 1.46788 196.2 2.5 2.4 5.9
55 2 2 5 31.696 63.393 1.46603 330.6 4.2 4.0 5.9
56 3 1 5 31.817 63.634 1.46105 474.1 6.0 5.7 5.9
57 5 0 2 31.928 63.856 1.45651 138.7 1.8 1.7 5.9
58 0 4 2 32.358 64.717 1.43921 112.1 1.4 1.4 5.9
59 2 3 4 32.929 65.859 1.41699 121.0 1.5 1.5 5.9
60 1 4 2 32.995 65.989 1.4145 203.9 2.6 2.5 5.9
61 3 3 3 33.093 66.186 1.41076 545.9 6.9 6.6 5.9
62 2 1 6 33.379 66.757 1.40008 1093.6 13.8 13.2 5.9
63 2 4 1 33.605 67.209 1.39176 313.0 3.9 3.8 5.9
64 0 2 6 33.888 67.777 1.38148 117.6 1.5 1.4 5.9
65 4 3 1 34.085 68.171 1.37445 444.2 5.6 5.3 5.9
66 0 3 5 34.245 68.489 1.36884 197.9 2.5 2.4 5.9
67 1 3 5 34.864 69.727 1.34753 628.5 7.9 7.5 5.9
68 5 1 3 35.065 70.131 1.34076 741.1 9.4 8.9 5.9
69 1 4 3 35.106 70.212 1.33941 971.5 12.3 11.6 5.9
70 5 2 2 35.938 71.876 1.31243 156.4 2.0 1.9 5.9
71 3 3 4 36.029 72.058 1.30956 222.8 2.8 2.7 5.9
72 4 1 5 36.187 72.375 1.30461 254.5 3.2 3.0 5.9
73 0 1 7 36.342 72.685 1.29981 395.2 5.0 4.7 6.0
74 3 4 1 36.678 73.356 1.28957 280.2 3.5 3.3 6.0
75 5 0 4 36.973 73.946 1.28073 210.4 2.7 2.5 6.0
76 2 0 7 37.783 75.566 1.25725 163.8 2.1 1.9 6.0
77 3 4 2 37.897 75.794 1.25403 150.8 1.9 1.8 6.0
78 5 1 4 37.934 75.868 1.25299 108.9 1.4 1.3 6.0
79 5 2 3 37.977 75.954 1.25179 1080.5 13.6 12.8 6.0
80 6 1 0 38.031 76.062 1.25028 569.9 7.2 6.7 6.0
81 5 3 1 39.519 79.038 1.21049 105.9 1.3 1.2 6.0
82 6 1 2 39.635 79.27 1.20753 225.8 2.8 2.7 6.0
83 3 3 5 39.67 79.339 1.20665 396.3 5.0 4.7 6.0
84 2 4 4 39.749 79.498 1.20464 84.7 1.1 1.0 6.0
85 3 4 3 39.901 79.802 1.20081 250.0 3.2 2.9 6.0
86 4 4 0 40.432 80.863 1.18772 251.7 3.2 2.9 6.1
87 5 0 5 40.585 81.171 1.18399 147.5 1.9 1.7 6.1
88 3 0 7 40.735 81.47 1.1804 126.9 1.6 1.5 6.1
89 5 2 4 40.774 81.547 1.17947 248.1 3.1 2.9 6.1
90 2 3 6 41.106 82.211 1.17162 613.7 7.7 7.2 6.1
91 6 2 1 41.264 82.528 1.16792 254.2 3.2 3.0 6.1
92 0 0 8 41.412 82.824 1.1645 82.3 1.0 1.0 6.1
93 5 1 5 41.522 83.044 1.16197 231.5 2.9 2.7 6.1
94 2 2 7 41.562 83.124 1.16105 347.9 4.4 4.1 6.1
95 1 5 2 41.686 83.372 1.15823 85.0 1.1 1.0 6.1
96 2 5 0 41.855 83.711 1.15441 370.6 4.7 4.3 6.1
97 4 4 2 42.012 84.025 1.15089 718.6 9.1 8.4 6.1
98 6 2 2 42.447 84.893 1.14132 122.9 1.6 1.4 6.1
99 5 3 3 42.684 85.367 1.13619 545.1 6.9 6.3 6.1
100 1 1 8 42.926 85.851 1.13102 122.8 1.5 1.4 6.1
101 2 4 5 43.303 86.605 1.1231 172.9 2.2 2.0 6.1
102 4 2 6 43.417 86.835 1.12072 1156.8 14.6 13.4 6.1
103 1 5 3 43.652 87.303 1.11591 335.4 4.2 3.9 6.2
104 4 3 5 43.748 87.496 1.11394 203.9 2.6 2.4 6.2
105 0 3 7 43.896 87.792 1.11095 169.6 2.1 2.0 6.2
106 2 1 8 44.662 89.325 1.09582 428.1 5.4 4.9 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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