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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BISMUTHINITE
4, t-stibnite, syn, at 7.22 Gpa, f-orpiment, g-stibnite
Bi(2)S(3)
Orthorhombic P nma Z = 4
Pnma
30 .7 .10
Ref.Str.:
Lundegaard L.F, Makovicky E., Boffa Ballaran T., Balic-Zunic T. (2005)
* Phys. Chem. Minerals, 32, 578-584
R: Crystal structure of Bi2S3 between 0 and 10 Gpa.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.701 alpha = 90.0
b = 3.8655 beta = 90.0
c = 10.565 gamma = 90.0
Unit cell volume (cub. angs.) = 437.02
Molar volume ( cub.cm/mol.) = 65.81
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.9971 0.25 0.6744 0.0 Bi = 1.00
2 0.3275 0.25 0.4674 0.0 Bi = 1.00
3 0.0493 0.25 0.1296 0.0 S = 1.00
4 0.3745 0.25 0.0607 0.0 S = 1.00
5 0.2232 0.25 0.799 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.9971 0.25 0.6744
2 2 0.3275 0.25 0.4674
3 3 0.0493 0.25 0.1296
4 4 0.3745 0.25 0.0607
5 5 0.2232 0.25 0.799
6 1 0.5029 0.75 0.1744
7 2 0.1725 0.75 0.9674
8 3 0.4507 0.75 0.6296
9 4 0.1255 0.75 0.5607
10 5 0.2768 0.75 0.299
11 1 0.4971 0.25 0.8256
12 2 0.8275 0.25 0.0326
13 3 0.5493 0.25 0.3704
14 4 0.8745 0.25 0.4393
15 5 0.7232 0.25 0.701
16 1 0.0029 0.75 0.3256
17 2 0.6725 0.75 0.5326
18 3 0.9507 0.75 0.8704
19 4 0.6255 0.75 0.9393
20 5 0.7768 0.75 0.201
X-ray density (g/cm cub.) = 7.81
MU (1/cm) = 1654.31 Mass attenuation coefficient (cm**2/g) = 211.771
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Bi 3.624 7
2.7544 5
2.6583 4
2.6583 4
2.809 4
2.9444 5
2.8758 3
2.8758 3
2 Bi 3.624 7
2.9 3
2.9 3
3.0626 4
3.0626 4
2.6824 5
2.6824 5
2.5853 3
3 S 4.368 11
3.8655 3
3.8655 3
3.5553 4
3.9576 5
3.5868 5
3.5868 5
3.7689 4
3.514 3
3.514 3
3.5788 5
3.5788 5
4 S 4.368 9
3.5553 3
3.8655 4
3.8655 4
3.204 5
3.3417 5
3.3417 5
3.7689 3
3.5489 4
3.5489 4
5 S 4.368 10
3.9576 3
3.204 4
3.8655 5
3.8655 5
3.5868 3
3.5868 3
3.3417 4
3.3417 4
3.5788 3
3.5788 3
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 5.881 11.761 0.067 187.56 4 3.4 4.5
2 2 0 0 8.277 16.555 0.093 93.56 2 121.9 1455.6
3 0 0 2 8.385 16.769 0.095 91.12 2 90.7 784.9
4 2 0 1 9.287 18.573 0.105 73.87 4 55.1 469.7
5 1 0 2 9.359 18.718 0.106 72.7 4 94.7 1365.5
6 2 0 2 11.824 23.649 0.133 44.75 4 273.2 6992.9
7 0 1 1 12.251 24.501 0.138 41.55 4 186.1 3014.5
8 1 1 1 12.948 25.896 0.145 36.98 8 179.1 4967.8
9 3 0 1 13.175 26.35 0.148 35.65 4 351.2 9207.3
10 1 0 3 13.313 26.625 0.149 34.87 4 322.6 7598.7
11 2 1 0 14.231 28.462 0.16 30.26 4 242.2 3719.2
12 2 1 1 14.858 29.715 0.166 27.6 8 199.9 4619.4
13 1 1 2 14.904 29.808 0.167 27.42 8 290.9 9721.3
14 3 0 2 15.104 30.207 0.169 26.65 4 88.1 432.8
15 2 0 3 15.18 30.36 0.17 26.36 4 147.7 1203.9
16 2 1 2 16.608 33.217 0.186 21.71 8 245.2 5470.0
17 4 0 0 16.734 33.468 0.187 21.36 2 172.5 665.8
18 0 0 4 16.956 33.912 0.189 20.76 2 66.4 96.0
19 0 1 3 17.211 34.422 0.192 20.09 4 291.5 3576.2
20 4 0 1 17.278 34.557 0.193 19.92 4 127.0 673.2
21 1 0 4 17.481 34.962 0.195 19.42 4 91.3 338.9
22 3 1 1 17.623 35.246 0.197 19.08 8 78.0 486.3
23 1 1 3 17.729 35.458 0.198 18.83 8 227.8 4093.4
24 3 0 3 17.901 35.801 0.2 18.44 4 56.3 122.4
25 4 0 2 18.829 37.658 0.209 16.5 4 299.3 3095.4
26 2 0 4 18.98 37.959 0.211 16.21 4 232.7 1838.0
27 3 1 2 19.149 38.299 0.213 15.9 8 168.2 1883.3
28 2 1 3 19.211 38.423 0.214 15.78 8 48.3 154.4
29 4 1 0 20.497 40.994 0.227 13.67 4 231.2 1530.6
30 4 1 1 20.957 41.914 0.232 13.01 8 279.4 4253.5
31 1 1 4 21.129 42.259 0.234 12.77 8 179.5 1723.0
32 4 0 3 21.198 42.395 0.235 12.68 4 142.1 535.9
33 3 0 4 21.277 42.555 0.236 12.57 4 23.8 14.9
34 3 1 3 21.488 42.976 0.238 12.3 8 24.7 31.4
35 5 0 1 21.544 43.089 0.238 12.22 4 82.4 173.6
36 1 0 5 21.813 43.626 0.241 11.89 4 119.1 353.0
37 4 1 2 22.291 44.582 0.246 11.32 8 240.4 2741.7
38 2 1 4 22.422 44.844 0.248 11.17 8 157.5 1161.7
39 5 0 2 22.85 45.701 0.252 10.71 4 60.9 83.3
40 2 0 5 23.075 46.151 0.254 10.47 4 237.1 1232.9
41 0 2 0 23.487 46.974 0.259 10.06 2 607.8 3892.2
42 4 0 4 24.194 48.387 0.266 9.41 4 142.7 401.0
43 1 2 1 24.299 48.598 0.267 9.31 8 2.2 0.2
44 4 1 3 24.385 48.769 0.268 9.24 8 25.3 24.8
45 3 1 4 24.456 48.912 0.269 9.18 8 394.1 5971.2
46 0 1 5 24.548 49.096 0.27 9.1 4 382.3 2785.4
47 5 1 1 24.696 49.392 0.271 8.98 8 197.0 1459.9
48 5 0 3 24.908 49.816 0.273 8.8 4 349.4 2251.0
49 1 1 5 24.938 49.877 0.274 8.78 8 84.3 261.5
50 3 0 5 25.069 50.137 0.275 8.68 4 330.5 1984.6
51 2 2 0 25.071 50.143 0.275 8.67 4 98.9 177.7
52 0 2 2 25.111 50.223 0.275 8.64 4 74.0 99.2
53 2 2 1 25.466 50.932 0.279 8.37 8 42.5 63.4
54 1 2 2 25.496 50.991 0.279 8.35 8 78.2 214.0
55 6 0 0 25.588 51.175 0.28 8.28 2 435.6 1645.2
56 5 1 2 25.879 51.758 0.283 8.07 8 254.9 2196.6
57 0 0 6 25.941 51.883 0.284 8.03 2 296.6 739.5
58 6 0 1 25.977 51.953 0.284 8.0 4 22.5 8.5
59 2 1 5 26.084 52.168 0.285 7.93 8 32.2 34.4
60 1 0 6 26.317 52.634 0.288 7.77 4 223.9 815.8
61 2 2 2 26.624 53.248 0.291 7.56 8 228.9 1660.6
62 4 1 4 27.11 54.22 0.296 7.26 8 109.6 365.0
63 6 0 2 27.119 54.238 0.296 7.25 4 91.1 126.2
64 3 2 1 27.33 54.66 0.298 7.13 8 296.3 2620.4
65 1 2 3 27.405 54.81 0.299 7.08 8 273.9 2226.1
66 2 0 6 27.421 54.843 0.299 7.07 4 173.6 446.4
67 5 0 4 27.596 55.192 0.301 6.97 4 140.5 288.0
68 4 0 5 27.68 55.361 0.302 6.92 4 143.8 300.1
69 5 1 3 27.77 55.54 0.302 6.87 8 62.8 113.4
70 3 1 5 27.919 55.838 0.304 6.79 8 37.3 39.6
71 6 1 0 28.401 56.803 0.309 6.53 4 29.1 11.6
72 3 2 2 28.435 56.87 0.309 6.51 8 66.0 119.0
73 2 2 3 28.481 56.962 0.31 6.49 8 122.5 408.2
74 6 1 1 28.764 57.528 0.312 6.35 8 144.6 555.9
75 6 0 3 28.955 57.91 0.314 6.25 4 42.7 23.8
76 1 1 6 29.082 58.164 0.316 6.19 8 105.2 287.2
77 3 0 6 29.199 58.399 0.317 6.14 4 41.1 21.7
78 4 2 0 29.45 58.901 0.319 6.02 4 145.8 268.0
79 0 2 4 29.594 59.188 0.321 5.95 4 58.5 42.7
80 4 2 1 29.805 59.609 0.323 5.86 8 103.7 263.6
81 6 1 2 29.834 59.669 0.323 5.85 8 31.5 24.4
82 1 2 4 29.938 59.876 0.324 5.8 8 82.9 166.9
83 2 1 6 30.119 60.238 0.326 5.72 8 39.2 36.8
84 3 2 3 30.218 60.437 0.327 5.68 8 47.3 53.3
85 5 1 4 30.283 60.567 0.327 5.65 8 54.1 69.4
86 4 1 5 30.363 60.726 0.328 5.62 8 45.8 49.5
87 7 0 1 30.605 61.211 0.33 5.52 4 91.3 96.5
88 5 0 5 30.816 61.631 0.333 5.44 4 60.3 41.5
89 4 2 2 30.853 61.706 0.333 5.42 8 252.7 1450.8
90 2 2 4 30.958 61.915 0.334 5.38 8 196.5 870.9
91 1 0 7 31.025 62.05 0.335 5.36 4 19.5 4.3
92 6 0 4 31.408 62.817 0.338 5.21 4 79.7 69.3
93 6 1 3 31.569 63.138 0.34 5.16 8 138.1 412.1
94 4 0 6 31.581 63.162 0.34 5.15 4 215.5 501.2
95 7 0 2 31.638 63.276 0.34 5.13 4 86.9 81.3
96 3 1 6 31.801 63.603 0.342 5.07 8 127.7 346.5
97 2 0 7 32.024 64.048 0.344 5.0 4 204.8 439.1
98 4 2 3 32.556 65.112 0.349 4.82 8 122.6 303.5
99 3 2 4 32.615 65.231 0.35 4.8 8 21.0 8.9
100 5 2 1 32.815 65.63 0.352 4.74 8 69.9 97.1
101 1 2 5 33.017 66.035 0.354 4.68 8 103.1 208.3
102 7 1 1 33.143 66.286 0.355 4.64 8 197.6 759.1
103 0 1 7 33.222 66.444 0.356 4.62 4 20.8 4.2
104 7 0 3 33.319 66.638 0.357 4.59 4 287.5 794.5
105 5 1 5 33.344 66.689 0.357 4.58 8 109.1 228.4
106 1 1 7 33.545 67.09 0.359 4.52 8 66.6 84.0
107 3 0 7 33.653 67.307 0.36 4.49 4 58.9 32.6
108 5 2 2 33.81 67.621 0.361 4.45 8 53.0 52.3
109 6 1 4 33.913 67.826 0.362 4.42 8 45.8 38.8
110 2 2 5 33.985 67.97 0.363 4.4 8 205.1 775.7
111 4 1 6 34.079 68.158 0.364 4.38 8 51.0 47.7
112 7 1 2 34.134 68.267 0.364 4.36 8 176.2 567.1
113 6 0 5 34.414 68.829 0.367 4.29 4 51.2 23.5
114 5 0 6 34.505 69.01 0.368 4.27 4 72.4 46.9
115 2 1 7 34.505 69.011 0.368 4.27 8 324.0 1876.5
116 4 2 4 34.866 69.731 0.371 4.18 8 124.8 272.7
117 8 0 0 35.16 70.319 0.374 4.11 2 69.5 20.8
118 5 2 3 35.439 70.878 0.376 4.04 8 307.0 1595.6
119 8 0 1 35.482 70.965 0.377 4.03 4 44.0 16.4
120 3 2 5 35.569 71.139 0.378 4.01 8 289.5 1409.0
121 7 0 4 35.604 71.209 0.378 4.01 4 160.9 217.3
122 0 0 8 35.681 71.362 0.379 3.99 2 206.5 178.2
123 7 1 3 35.756 71.511 0.379 3.97 8 211.6 745.1
124 4 0 7 35.872 71.744 0.38 3.95 4 201.4 335.2
125 6 2 0 35.992 71.985 0.381 3.92 4 383.7 1209.2
126 1 0 8 35.994 71.987 0.381 3.92 4 160.8 212.3
127 3 1 7 36.079 72.159 0.382 3.9 8 31.2 15.9
128 0 2 6 36.283 72.566 0.384 3.86 4 261.4 552.5
129 6 2 1 36.312 72.624 0.384 3.85 8 19.7 6.3
130 8 0 2 36.444 72.887 0.386 3.83 4 238.3 455.2
131 1 2 6 36.594 73.188 0.387 3.8 8 197.2 618.5
132 6 1 5 36.818 73.636 0.389 3.75 8 328.5 1697.5
133 5 1 6 36.906 73.812 0.39 3.74 8 178.0 496.2
134 2 0 8 36.925 73.851 0.39 3.73 4 104.1 84.8
135 0 3 1 37.031 74.061 0.391 3.71 4 136.3 144.6
136 6 2 2 37.265 74.529 0.393 3.67 8 80.4 99.5
137 1 3 1 37.339 74.678 0.394 3.66 8 137.2 288.5
138 2 2 6 37.52 75.04 0.395 3.63 8 153.7 358.6
139 8 1 0 37.543 75.086 0.396 3.62 4 182.5 252.7
140 5 2 4 37.668 75.336 0.397 3.6 8 124.4 233.4
141 4 2 5 37.739 75.479 0.397 3.59 8 127.6 244.6
142 8 1 1 37.858 75.716 0.398 3.57 8 223.2 744.8
143 6 0 6 37.932 75.865 0.399 3.56 4 253.9 479.9
144 2 3 0 37.945 75.89 0.399 3.55 4 178.9 238.1
145 7 1 4 37.977 75.954 0.399 3.55 8 202.1 607.1
146 8 0 3 38.024 76.049 0.4 3.54 4 91.7 62.3
147 4 1 7 38.238 76.477 0.402 3.51 8 308.1 1393.7
148 2 3 1 38.258 76.517 0.402 3.5 8 154.8 351.7
149 1 3 2 38.282 76.564 0.402 3.5 8 214.9 676.9
150 1 1 8 38.357 76.714 0.403 3.49 8 227.3 754.3
151 7 0 5 38.456 76.913 0.404 3.47 4 123.0 110.0
152 3 0 8 38.459 76.919 0.404 3.47 4 5.5 0.2
153 5 0 7 38.646 77.291 0.405 3.44 4 58.7 24.9
154 8 1 2 38.797 77.594 0.407 3.42 8 85.5 104.6
155 6 2 3 38.834 77.667 0.407 3.41 8 37.8 20.5
156 3 2 6 39.046 78.092 0.409 3.38 8 36.5 18.9
157 2 3 2 39.194 78.389 0.41 3.36 8 181.5 463.8
158 2 1 8 39.269 78.538 0.411 3.35 8 59.3 49.4
159 0 3 3 39.536 79.073 0.413 3.31 4 214.3 318.7
160 3 3 1 39.776 79.552 0.415 3.28 8 56.6 44.1
161 1 3 3 39.838 79.677 0.416 3.28 8 171.1 401.6
162 8 0 4 40.203 80.405 0.419 3.23 4 133.5 120.5
163 6 1 6 40.257 80.515 0.419 3.22 8 43.7 25.7
164 7 2 1 40.283 80.565 0.42 3.22 8 81.7 90.1
165 8 1 3 40.348 80.696 0.42 3.21 8 37.6 19.0
166 5 2 5 40.47 80.94 0.421 3.2 8 53.8 38.8
167 4 0 8 40.577 81.153 0.422 3.19 4 128.6 110.3
168 1 2 7 40.657 81.313 0.423 3.18 8 17.6 4.1
169 9 0 1 40.687 81.374 0.423 3.17 4 303.6 612.6
170 3 3 2 40.702 81.405 0.423 3.17 8 126.1 211.3
171 2 3 3 40.741 81.483 0.424 3.17 8 37.0 18.1
172 7 1 5 40.773 81.546 0.424 3.16 8 102.3 138.7
173 3 1 8 40.776 81.552 0.424 3.16 8 78.4 81.5
174 5 1 7 40.959 81.919 0.426 3.14 8 53.1 37.1
175 6 2 4 41.0 82.0 0.426 3.14 8 71.3 66.9
176 4 2 6 41.155 82.311 0.427 3.12 8 193.2 487.8
177 7 2 2 41.207 82.413 0.428 3.12 8 77.8 78.9
178 1 0 9 41.309 82.617 0.428 3.11 4 191.7 239.1
179 2 2 7 41.556 83.111 0.431 3.08 8 183.8 436.0
180 4 3 0 41.57 83.14 0.431 3.08 4 178.4 205.3
181 9 0 2 41.609 83.218 0.431 3.08 4 25.2 4.1
182 7 0 6 41.857 83.714 0.433 3.05 4 215.2 295.9
183 4 3 1 41.877 83.753 0.433 3.05 8 215.6 593.7
184 6 0 7 41.958 83.915 0.434 3.04 4 38.3 9.4
185 1 3 4 41.993 83.986 0.434 3.04 8 138.5 244.3
186 2 0 9 42.205 84.41 0.436 3.02 4 123.3 96.1
187 3 3 3 42.237 84.474 0.436 3.02 8 18.7 4.4
188 8 1 4 42.497 84.994 0.439 2.99 8 111.0 154.6
189 7 2 3 42.738 85.476 0.441 2.97 8 258.8 834.7
190 4 3 2 42.794 85.589 0.441 2.97 8 187.6 437.9
191 4 1 8 42.867 85.735 0.442 2.96 8 42.7 22.6
192 2 3 4 42.887 85.774 0.442 2.96 8 122.8 187.3
193 8 0 5 42.964 85.929 0.442 2.96 4 148.3 136.2
194 9 1 1 42.977 85.954 0.443 2.96 8 104.7 135.8
195 3 2 7 43.047 86.093 0.443 2.95 8 52.9 34.6
196 9 0 3 43.139 86.277 0.444 2.94 4 27.8 4.8
197 5 0 8 43.265 86.53 0.445 2.93 4 153.4 144.7
198 0 1 9 43.296 86.592 0.445 2.93 4 313.9 605.0
199 1 1 9 43.593 87.187 0.448 2.91 8 37.2 16.9
200 3 0 9 43.693 87.387 0.448 2.9 4 207.1 260.9
201 6 2 5 43.754 87.508 0.449 2.9 8 46.1 25.8
202 5 2 6 43.839 87.677 0.45 2.89 8 64.6 50.6
203 9 1 2 43.892 87.784 0.45 2.89 8 19.6 4.6
204 7 1 6 44.138 88.277 0.452 2.88 8 129.7 202.5
205 6 1 7 44.238 88.477 0.453 2.87 8 12.2 1.8
206 4 3 3 44.319 88.639 0.454 2.87 8 19.9 4.8
207 3 3 4 44.373 88.746 0.454 2.86 8 312.1 1167.7
208 0 3 5 44.442 88.885 0.455 2.86 4 302.8 548.7
209 8 2 0 44.453 88.905 0.455 2.86 4 62.9 23.7
210 2 1 9 44.485 88.969 0.455 2.86 8 27.8 9.3
211 5 3 1 44.555 89.11 0.455 2.85 8 156.1 291.2
212 1 3 5 44.739 89.479 0.457 2.84 8 67.1 53.6
213 8 2 1 44.757 89.514 0.457 2.84 8 40.3 19.3
214 7 2 4 44.873 89.745 0.458 2.83 8 146.0 253.0
215 0 2 8 44.945 89.89 0.459 2.83 4 187.1 207.6
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 2 0 0 8.277 16.555 5.3505 1455.6 15.0 15.1 5.6
2 0 0 2 8.385 16.769 5.2825 784.9 8.1 8.2 5.6
3 2 0 1 9.287 18.573 4.77328 469.7 4.8 4.9 5.6
4 1 0 2 9.359 18.718 4.73679 1365.5 14.0 14.2 5.6
5 2 0 2 11.824 23.649 3.7591 6992.9 71.9 72.3 5.6
6 0 1 1 12.251 24.501 3.63015 3014.5 31.0 31.1 5.6
7 1 1 1 12.948 25.896 3.43773 4967.8 51.1 51.3 5.6
8 3 0 1 13.175 26.35 3.37958 9207.3 94.7 95.0 5.6
9 1 0 3 13.313 26.625 3.34517 7598.7 78.2 78.4 5.6
10 2 1 0 14.231 28.462 3.13333 3719.2 38.3 38.3 5.6
11 2 1 1 14.858 29.715 3.004 4619.4 47.5 47.5 5.6
12 1 1 2 14.904 29.808 2.99485 9721.3 100.0 100.0 5.6
13 3 0 2 15.104 30.207 2.95616 432.8 4.5 4.5 5.6
14 2 0 3 15.18 30.36 2.94166 1203.9 12.4 12.4 5.6
15 2 1 2 16.608 33.217 2.69492 5470.0 56.3 56.1 5.6
16 4 0 0 16.734 33.468 2.67525 665.8 6.8 6.8 5.7
17 0 1 3 17.211 34.422 2.60328 3576.2 36.8 36.6 5.7
18 4 0 1 17.278 34.557 2.5934 673.2 6.9 6.9 5.7
19 1 0 4 17.481 34.962 2.56429 338.9 3.5 3.5 5.7
20 3 1 1 17.623 35.246 2.54428 486.3 5.0 5.0 5.7
21 1 1 3 17.729 35.458 2.52951 4093.4 42.1 41.9 5.7
22 3 0 3 17.901 35.801 2.50607 122.4 1.3 1.3 5.7
23 4 0 2 18.829 37.658 2.38664 3095.4 31.8 31.6 5.7
24 2 0 4 18.98 37.959 2.3684 1838.0 18.9 18.8 5.7
25 3 1 2 19.149 38.299 2.34819 1883.3 19.4 19.2 5.7
26 2 1 3 19.211 38.423 2.3409 154.4 1.6 1.6 5.7
27 4 1 0 20.497 40.994 2.1998 1530.6 15.7 15.6 5.7
28 4 1 1 20.957 41.914 2.15361 4253.5 43.8 43.3 5.7
29 1 1 4 21.129 42.259 2.13686 1723.0 17.7 17.5 5.7
30 4 0 3 21.198 42.395 2.13029 535.9 5.5 5.4 5.7
31 5 0 1 21.544 43.089 2.09759 173.6 1.8 1.8 5.7
32 1 0 5 21.813 43.626 2.07297 353.0 3.6 3.6 5.7
33 4 1 2 22.291 44.582 2.03075 2741.7 28.2 27.8 5.7
34 2 1 4 22.422 44.844 2.01948 1161.7 11.9 11.8 5.7
35 2 0 5 23.075 46.151 1.9653 1232.9 12.7 12.5 5.7
36 0 2 0 23.487 46.974 1.93275 3892.2 40.0 39.4 5.7
37 4 0 4 24.194 48.387 1.87955 401.0 4.1 4.0 5.7
38 3 1 4 24.456 48.912 1.8606 5971.2 61.4 60.3 5.7
39 0 1 5 24.548 49.096 1.85408 2785.4 28.7 28.1 5.7
40 5 1 1 24.696 49.392 1.84364 1459.9 15.0 14.7 5.7
41 5 0 3 24.908 49.816 1.82894 2251.0 23.2 22.7 5.7
42 1 1 5 24.938 49.877 1.82686 261.5 2.7 2.6 5.7
43 3 0 5 25.069 50.137 1.81797 2162.3 22.2 21.8 5.7
44 0 2 2 25.111 50.223 1.81508 99.2 1.0 1.0 5.8
45 1 2 2 25.496 50.991 1.78952 214.0 2.2 2.2 5.8
46 6 0 0 25.588 51.175 1.7835 1645.2 16.9 16.6 5.8
47 5 1 2 25.879 51.758 1.76479 2196.6 22.6 22.1 5.8
48 0 0 6 25.941 51.883 1.76083 739.5 7.6 7.4 5.8
49 1 0 6 26.317 52.634 1.73747 815.8 8.4 8.2 5.8
50 2 2 2 26.624 53.248 1.71886 1660.6 17.1 16.7 5.8
51 4 1 4 27.11 54.22 1.69032 491.2 5.1 4.9 5.8
52 3 2 1 27.33 54.66 1.67776 2620.4 27.0 26.3 5.8
53 1 2 3 27.405 54.81 1.6735 2672.5 27.5 26.8 5.8
54 5 0 4 27.596 55.192 1.66283 288.0 3.0 2.9 5.8
55 4 0 5 27.68 55.361 1.65817 300.1 3.1 3.0 5.8
56 5 1 3 27.77 55.54 1.65323 113.4 1.2 1.1 5.8
57 3 2 2 28.435 56.87 1.61768 119.0 1.2 1.2 5.8
58 2 2 3 28.481 56.962 1.6153 408.2 4.2 4.1 5.8
59 6 1 1 28.764 57.528 1.60074 555.9 5.7 5.5 5.8
60 1 1 6 29.082 58.164 1.58474 287.2 3.0 2.9 5.8
61 4 2 0 29.45 58.901 1.56667 268.0 2.8 2.7 5.8
62 4 2 1 29.805 59.609 1.54972 263.6 2.7 2.6 5.8
63 1 2 4 29.938 59.876 1.54344 166.9 1.7 1.7 5.8
64 4 2 2 30.853 61.706 1.502 1450.8 14.9 14.4 5.8
65 2 2 4 30.958 61.915 1.49742 870.9 9.0 8.6 5.8
66 4 0 6 31.581 63.162 1.47083 913.3 9.4 9.0 5.9
67 3 1 6 31.801 63.603 1.46169 346.5 3.6 3.4 5.9
68 2 0 7 32.024 64.048 1.4526 439.1 4.5 4.3 5.9
69 4 2 3 32.556 65.112 1.43141 303.5 3.1 3.0 5.9
70 1 2 5 33.017 66.035 1.41364 208.3 2.1 2.1 5.9
71 7 1 1 33.143 66.286 1.40889 759.1 7.8 7.5 5.9
72 7 0 3 33.319 66.638 1.40229 1023.0 10.5 10.1 5.9
73 2 2 5 33.985 67.97 1.37802 775.7 8.0 7.6 5.9
74 7 1 2 34.134 68.267 1.37274 567.1 5.8 5.6 5.9
75 2 1 7 34.505 69.011 1.35976 1923.4 19.8 18.9 5.9
76 4 2 4 34.866 69.731 1.34746 272.7 2.8 2.7 5.9
77 5 2 3 35.439 70.878 1.32844 1595.6 16.4 15.6 5.9
78 3 2 5 35.569 71.139 1.32422 1409.0 14.5 13.8 5.9
79 7 0 4 35.604 71.209 1.32308 217.3 2.2 2.1 5.9
80 0 0 8 35.681 71.362 1.32062 178.2 1.8 1.7 5.9
81 7 1 3 35.756 71.511 1.31823 745.1 7.7 7.3 5.9
82 4 0 7 35.872 71.744 1.31452 335.2 3.4 3.3 5.9
83 6 2 0 35.992 71.985 1.31072 1421.5 14.6 13.9 5.9
84 0 2 6 36.283 72.566 1.30164 558.8 5.7 5.4 6.0
85 8 0 2 36.444 72.887 1.2967 455.2 4.7 4.4 6.0
86 1 2 6 36.594 73.188 1.29212 618.5 6.4 6.0 6.0
87 6 1 5 36.818 73.636 1.28535 1697.5 17.5 16.5 6.0
88 5 1 6 36.906 73.812 1.28272 581.0 6.0 5.6 6.0
89 0 3 1 37.031 74.061 1.27902 144.6 1.5 1.4 6.0
90 6 2 2 37.265 74.529 1.27214 99.5 1.0 1.0 6.0
91 1 3 1 37.339 74.678 1.26998 288.5 3.0 2.8 6.0
92 2 2 6 37.52 75.04 1.26475 611.3 6.3 5.9 6.0
93 5 2 4 37.668 75.336 1.26052 233.4 2.4 2.3 6.0
94 4 2 5 37.739 75.479 1.25848 244.6 2.5 2.4 6.0
95 8 1 1 37.858 75.716 1.25513 744.8 7.7 7.2 6.0
96 6 0 6 37.932 75.865 1.25303 718.0 7.4 6.9 6.0
97 7 1 4 37.977 75.954 1.25179 607.1 6.2 5.9 6.0
98 4 1 7 38.238 76.477 1.24453 1745.5 18.0 16.9 6.0
99 1 3 2 38.282 76.564 1.24332 676.9 7.0 6.5 6.0
100 1 1 8 38.357 76.714 1.24127 754.3 7.8 7.3 6.0
101 7 0 5 38.456 76.913 1.23856 110.2 1.1 1.1 6.0
102 8 1 2 38.797 77.594 1.22937 104.6 1.1 1.0 6.0
103 2 3 2 39.194 78.389 1.21888 463.8 4.8 4.5 6.0
104 0 3 3 39.536 79.073 1.21005 318.7 3.3 3.1 6.0
105 1 3 3 39.838 79.677 1.20239 401.6 4.1 3.9 6.0
106 8 0 4 40.203 80.405 1.19332 120.5 1.2 1.2 6.0
107 7 2 1 40.283 80.565 1.19135 115.8 1.2 1.1 6.1
108 4 0 8 40.577 81.153 1.1842 110.3 1.1 1.1 6.1
109 9 0 1 40.687 81.374 1.18154 823.8 8.5 7.9 6.1
110 7 1 5 40.773 81.546 1.17949 220.2 2.3 2.1 6.1
111 4 2 6 41.155 82.311 1.17045 487.8 5.0 4.7 6.1
112 1 0 9 41.309 82.617 1.16689 239.1 2.5 2.3 6.1
113 2 2 7 41.556 83.111 1.1612 641.3 6.6 6.1 6.1
114 4 3 1 41.877 83.753 1.15392 889.7 9.2 8.5 6.1
115 1 3 4 41.993 83.986 1.15133 244.3 2.5 2.3 6.1
116 8 1 4 42.497 84.994 1.14022 154.6 1.6 1.5 6.1
117 7 2 3 42.738 85.476 1.13502 834.7 8.6 7.9 6.1
118 4 3 2 42.794 85.589 1.13381 437.9 4.5 4.1 6.1
119 2 3 4 42.887 85.774 1.13184 209.9 2.2 2.0 6.1
120 8 0 5 42.964 85.929 1.1302 272.0 2.8 2.6 6.1
121 5 0 8 43.265 86.53 1.12388 144.7 1.5 1.4 6.1
122 0 1 9 43.296 86.592 1.12324 605.0 6.2 5.7 6.1
123 3 0 9 43.693 87.387 1.11506 260.9 2.7 2.5 6.2
124 7 1 6 44.138 88.277 1.1061 202.5 2.1 1.9 6.2
125 3 3 4 44.373 88.746 1.10145 1167.7 12.0 11.0 6.2
126 0 3 5 44.442 88.885 1.1001 572.4 5.9 5.4 6.2
127 5 3 1 44.555 89.11 1.09791 291.2 3.0 2.7 6.2
128 7 2 4 44.873 89.745 1.09177 253.0 2.6 2.4 6.2
129 0 2 8 44.945 89.89 1.09039 207.6 2.1 1.9 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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