Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
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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GARAVELLITE
2
FeBiSbS(4)
Orthorhombic P nam Z = 4
R =0.0238 NR =769
14 .7 .1905
Ref.Str.:
L. Bindi, S. Menchetti (2005)
* Mineral. and Petrol.
Reserv:
from the Caspari mine, North Rhine-Westphalia, Germany. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.413 alpha = 90.0
b = 14.164 beta = 90.0
c = 3.759 gamma = 90.0
Unit cell volume (cub. angs.) = 607.66
Molar volume ( cub.cm/mol.) = 91.5
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3167 0.3349 0.25 0.0 Fe = 1.00
2 0.1446 0.054 0.25 0.0 Sb = 1.00
3 0.0388 0.4085 0.75 0.0 Bi = 1.00
4 0.1951 0.2711 0.75 0.0 S = 1.00
5 0.4224 0.1839 0.25 0.0 S = 1.00
6 0.2233 0.4952 0.25 0.0 S = 1.00
7 0.4512 0.4049 0.75 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3167 0.3349 0.25
2 2 0.1446 0.054 0.25
3 3 0.0388 0.4085 0.75
4 4 0.1951 0.2711 0.75
5 5 0.4224 0.1839 0.25
6 6 0.2233 0.4952 0.25
7 7 0.4512 0.4049 0.75
8 1 0.6833 0.6651 0.75
9 2 0.8554 0.946 0.75
10 3 0.9612 0.5915 0.25
11 4 0.8049 0.7289 0.25
12 5 0.5776 0.8161 0.75
13 6 0.7767 0.5048 0.75
14 7 0.5488 0.5951 0.25
15 1 0.8167 0.1651 0.25
16 2 0.6446 0.446 0.25
17 3 0.5388 0.0915 0.75
18 4 0.6951 0.2289 0.75
19 5 0.9224 0.3161 0.25
20 6 0.7233 0.0048 0.25
21 7 0.9512 0.0951 0.75
22 1 0.1833 0.8349 0.75
23 2 0.3554 0.554 0.75
24 3 0.4612 0.9085 0.25
25 4 0.3049 0.7711 0.25
26 5 0.0776 0.6839 0.75
27 6 0.2767 0.9952 0.75
28 7 0.0488 0.9049 0.25
X-ray density (g/cm cub.) = 5.63
MU (1/cm) = 1533.098 Mass attenuation coefficient (cm**2/g) = 272.525
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 3.144 6
2.5051 4
2.5051 4
2.4553 5
2.5085 6
2.6214 7
2.6214 7
2 Sb 3.264 5
2.957 7
2.957 7
2.5494 6
2.5494 6
2.3787 7
3 Bi 3.624 6
2.6401 4
3.078 6
3.078 6
3.2876 6
2.6477 5
2.6477 5
4 S 4.368 11
3.759 4
3.759 4
3.4333 5
3.4333 5
3.7029 6
3.7029 6
3.4835 7
3.6913 5
3.6913 5
3.7367 7
4.0173 6
5 S 4.368 11
3.4333 4
3.4333 4
3.759 5
3.759 5
3.6659 7
3.6659 7
3.6913 4
3.6913 4
4.2695 6
3.6662 6
3.6662 6
6 S 4.368 11
3.7029 4
3.7029 4
3.759 6
3.759 6
3.4545 7
3.4545 7
3.9753 7
4.2695 5
4.0173 4
3.6662 5
3.6662 5
7 S 4.368 11
3.4835 4
3.6659 5
3.6659 5
3.4545 6
3.4545 6
3.759 7
3.759 7
3.9753 6
3.4686 7
3.4686 7
3.7367 4
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 5.777 11.553 0.056 194.46 4 115.7 2820.5
2 0 2 0 7.256 14.512 0.071 122.42 2 219.9 3205.5
3 1 2 0 8.548 17.096 0.083 87.58 4 66.5 419.4
4 2 0 0 9.018 18.036 0.088 78.47 2 149.6 951.7
5 2 1 0 9.729 19.458 0.094 67.12 4 55.4 223.4
6 2 2 0 11.613 23.226 0.113 46.47 4 91.4 420.5
7 1 3 0 11.831 23.661 0.115 44.7 4 100.6 489.7
8 3 1 0 14.09 28.18 0.136 30.91 4 332.2 3694.8
9 2 3 0 14.234 28.468 0.137 30.25 4 241.5 1911.4
10 0 1 1 14.252 28.504 0.138 30.17 4 59.1 114.2
11 0 4 0 14.631 29.263 0.141 28.52 2 156.4 377.9
12 1 1 1 14.973 29.946 0.144 27.15 8 130.3 998.2
13 1 4 0 15.336 30.672 0.148 25.79 4 134.3 503.9
14 3 2 0 15.479 30.959 0.149 25.28 4 104.0 296.4
15 1 2 1 16.294 32.587 0.157 22.63 8 287.2 4045.0
16 2 0 1 16.555 33.11 0.159 21.86 4 60.7 87.2
17 2 1 1 16.969 33.938 0.163 20.72 8 165.5 1229.6
18 2 4 0 17.294 34.589 0.166 19.88 4 259.1 1445.4
19 3 3 0 17.574 35.149 0.169 19.2 4 36.9 28.3
20 0 3 1 17.708 35.415 0.17 18.88 4 152.5 475.8
21 2 2 1 18.16 36.32 0.174 17.87 8 184.1 1312.7
22 4 0 0 18.27 36.539 0.175 17.63 2 48.0 22.0
23 1 3 1 18.306 36.612 0.176 17.56 8 48.3 88.6
24 4 1 0 18.65 37.3 0.179 16.85 4 63.0 72.5
25 1 5 0 18.986 37.971 0.182 16.2 4 173.6 528.7
26 4 2 0 19.754 39.507 0.189 14.84 4 0.4 0.0
27 3 1 1 19.903 39.805 0.19 14.59 8 320.1 3238.8
28 2 3 1 20.009 40.018 0.191 14.42 8 364.1 4141.5
29 3 4 0 20.187 40.375 0.193 14.14 4 173.1 458.7
30 2 5 0 20.641 41.283 0.197 13.46 4 285.1 1184.7
31 1 4 1 20.84 41.681 0.199 13.17 8 276.1 2175.1
32 3 2 1 20.951 41.901 0.2 13.01 8 7.6 1.6
33 4 3 0 21.487 42.974 0.205 12.3 4 175.0 408.1
34 0 6 0 22.266 44.531 0.212 11.35 2 250.2 384.8
35 2 4 1 22.382 44.765 0.213 11.22 8 125.8 384.5
36 3 3 1 22.609 45.218 0.215 10.97 8 20.3 9.8
37 1 6 0 22.763 45.526 0.216 10.8 4 118.3 163.8
38 4 0 1 23.177 46.353 0.22 10.37 4 209.5 492.9
39 3 5 0 23.183 46.366 0.22 10.36 4 194.8 426.0
40 0 5 1 23.289 46.578 0.221 10.26 4 37.4 15.6
41 5 1 0 23.386 46.771 0.222 10.16 4 92.9 95.1
42 4 1 1 23.491 46.982 0.223 10.06 8 166.1 601.1
43 4 4 0 23.74 47.481 0.225 9.82 4 96.3 98.7
44 1 5 1 23.77 47.54 0.225 9.79 8 123.1 321.7
45 2 6 0 24.208 48.415 0.229 9.39 4 290.3 857.6
46 5 2 0 24.312 48.625 0.23 9.3 4 314.5 997.0
47 4 2 1 24.415 48.829 0.231 9.21 8 210.4 883.9
48 3 4 1 24.783 49.565 0.234 8.91 8 78.8 119.7
49 2 5 1 25.17 50.341 0.238 8.6 8 52.8 51.9
50 5 3 0 25.801 51.603 0.243 8.12 4 107.6 102.0
51 4 3 1 25.899 51.799 0.244 8.06 8 261.9 1197.0
52 4 5 0 26.42 52.839 0.249 7.7 4 101.2 85.4
53 3 6 0 26.482 52.965 0.249 7.66 4 165.5 227.3
54 1 7 0 26.676 53.352 0.251 7.53 4 105.5 90.8
55 1 6 1 27.016 54.031 0.254 7.32 8 7.4 0.9
56 3 5 1 27.387 54.774 0.257 7.09 8 141.8 308.9
57 5 1 1 27.566 55.133 0.259 6.99 8 100.6 153.3
58 5 4 0 27.789 55.578 0.261 6.86 4 416.1 1286.8
59 4 4 1 27.882 55.765 0.261 6.81 8 76.3 86.0
60 2 7 0 27.971 55.941 0.262 6.76 4 62.3 28.4
61 6 0 0 28.049 56.099 0.263 6.72 2 136.9 68.2
62 2 6 1 28.3 56.599 0.265 6.58 8 17.7 4.5
63 6 1 0 28.324 56.648 0.265 6.57 4 73.9 38.9
64 5 2 1 28.394 56.788 0.266 6.54 8 148.6 312.8
65 0 0 2 28.418 56.836 0.266 6.52 2 634.0 1420.0
66 1 1 2 29.106 58.212 0.272 6.18 8 101.7 138.3
67 6 2 0 29.137 58.274 0.272 6.16 4 44.7 13.3
68 4 6 0 29.457 58.914 0.275 6.01 4 85.3 47.4
69 0 2 2 29.497 58.994 0.275 6.0 4 175.2 199.5
70 5 3 1 29.739 59.478 0.277 5.89 8 201.8 519.7
71 1 2 2 29.906 59.812 0.279 5.81 8 48.8 30.0
72 3 7 0 30.046 60.091 0.28 5.75 4 161.7 163.1
73 2 0 2 30.07 60.139 0.28 5.74 4 131.2 107.1
74 0 7 1 30.134 60.268 0.281 5.72 4 454.9 1281.2
75 5 5 0 30.215 60.43 0.281 5.68 4 88.7 48.5
76 4 5 1 30.303 60.606 0.282 5.65 8 154.9 293.4
77 2 1 2 30.332 60.665 0.282 5.63 8 51.2 32.0
78 0 8 0 30.345 60.69 0.282 5.63 2 171.0 89.1
79 3 6 1 30.36 60.721 0.283 5.62 8 184.8 416.0
80 6 3 0 30.462 60.923 0.283 5.58 4 97.9 58.0
81 1 7 1 30.538 61.076 0.284 5.55 8 230.4 638.0
82 1 8 0 30.747 61.494 0.286 5.47 4 87.3 45.1
83 2 2 2 31.113 62.226 0.289 5.32 8 75.9 66.5
84 1 3 2 31.211 62.421 0.29 5.29 8 78.0 69.7
85 5 4 1 31.563 63.126 0.293 5.16 8 58.8 38.7
86 2 7 1 31.731 63.461 0.294 5.1 8 131.5 191.0
87 6 0 1 31.804 63.607 0.295 5.07 4 369.1 748.6
88 2 8 0 31.935 63.87 0.296 5.03 4 39.1 8.3
89 6 1 1 32.058 64.116 0.297 4.99 8 19.4 4.1
90 6 4 0 32.261 64.523 0.298 4.92 4 20.8 2.3
91 3 1 2 32.314 64.628 0.299 4.9 8 273.2 792.4
92 2 3 2 32.389 64.779 0.299 4.88 8 200.6 425.0
93 0 4 2 32.601 65.202 0.301 4.81 4 134.6 94.3
94 4 7 0 32.815 65.63 0.303 4.74 4 137.3 96.8
95 6 2 1 32.815 65.631 0.303 4.74 8 84.8 73.8
96 1 4 2 32.988 65.975 0.304 4.69 8 103.9 109.7
97 5 6 0 33.031 66.061 0.305 4.68 4 26.4 3.5
98 3 2 2 33.068 66.136 0.305 4.66 8 91.3 84.2
99 4 6 1 33.115 66.229 0.305 4.65 8 188.2 356.7
100 7 1 0 33.52 67.04 0.309 4.53 4 186.7 171.1
101 3 7 1 33.666 67.333 0.31 4.49 8 111.7 121.5
102 5 5 1 33.825 67.651 0.311 4.45 8 232.6 521.0
103 3 8 0 33.865 67.729 0.311 4.44 4 231.2 256.7
104 6 3 1 34.058 68.115 0.313 4.38 8 89.3 75.8
105 2 4 2 34.134 68.267 0.314 4.36 8 208.1 409.3
106 7 2 0 34.26 68.521 0.315 4.33 4 311.8 455.9
107 3 3 2 34.306 68.611 0.315 4.32 8 27.4 7.0
108 1 8 1 34.326 68.653 0.315 4.31 8 161.4 243.4
109 6 5 0 34.5 69.0 0.317 4.27 4 24.0 2.7
110 4 0 2 34.742 69.483 0.319 4.21 4 41.6 7.9
111 4 1 2 34.985 69.97 0.321 4.15 8 60.3 32.7
112 1 9 0 35.011 70.022 0.321 4.14 4 194.5 169.7
113 1 5 2 35.203 70.406 0.322 4.1 8 156.3 216.7
114 2 8 1 35.452 70.903 0.324 4.04 8 57.7 29.1
115 7 3 0 35.478 70.957 0.324 4.03 4 75.2 24.7
116 4 2 2 35.711 71.423 0.326 3.98 8 1.1 0.0
117 6 4 1 35.762 71.524 0.327 3.97 8 138.0 163.9
118 3 4 2 36.005 72.01 0.329 3.92 8 141.4 169.8
119 2 9 0 36.127 72.253 0.33 3.89 4 43.7 8.1
120 5 7 0 36.209 72.418 0.33 3.88 4 95.3 38.1
121 4 7 1 36.29 72.579 0.331 3.86 8 23.3 4.5
122 2 5 2 36.316 72.633 0.331 3.85 8 231.8 448.8
123 4 8 0 36.481 72.963 0.332 3.82 4 138.9 79.8
124 5 6 1 36.496 72.991 0.332 3.82 8 12.6 1.3
125 4 3 2 36.909 73.817 0.336 3.74 8 151.3 185.3
126 7 1 1 36.964 73.928 0.336 3.73 8 214.4 371.2
127 6 6 0 37.149 74.298 0.338 3.69 4 62.6 15.6
128 7 4 0 37.154 74.309 0.338 3.69 4 110.9 49.2
129 3 8 1 37.295 74.589 0.339 3.67 8 231.3 424.9
130 0 6 2 37.468 74.936 0.34 3.63 4 219.5 189.7
131 7 2 1 37.675 75.35 0.342 3.6 8 80.4 50.4
132 1 6 2 37.832 75.664 0.343 3.57 8 99.9 77.2
133 6 5 1 37.905 75.811 0.343 3.56 8 39.8 12.2
134 3 9 0 37.957 75.913 0.344 3.55 4 158.6 96.8
135 0 9 1 38.036 76.072 0.344 3.54 4 224.4 193.0
136 3 5 2 38.143 76.286 0.345 3.52 8 169.3 218.6
137 5 1 2 38.294 76.588 0.346 3.5 8 80.5 49.1
138 1 9 1 38.398 76.796 0.347 3.48 8 28.2 6.0
139 4 4 2 38.561 77.122 0.348 3.45 8 84.9 53.9
140 8 0 0 38.827 77.655 0.35 3.41 2 147.5 40.2
141 7 3 1 38.85 77.699 0.351 3.41 8 34.7 8.9
142 2 6 2 38.916 77.833 0.351 3.4 8 247.0 449.7
143 5 2 2 38.997 77.994 0.352 3.39 8 271.5 541.2
144 8 1 0 39.061 78.122 0.352 3.38 4 140.0 71.8
145 0 10 0 39.161 78.322 0.353 3.37 2 112.7 23.2
146 7 5 0 39.27 78.541 0.354 3.35 4 37.1 5.0
147 2 9 1 39.478 78.955 0.355 3.32 8 186.0 248.9
148 1 10 0 39.52 79.04 0.356 3.32 4 2.6 0.0
149 5 7 1 39.558 79.115 0.356 3.31 8 69.0 34.1
150 5 8 0 39.744 79.488 0.357 3.29 4 219.1 171.0
151 8 2 0 39.76 79.52 0.358 3.29 4 93.1 30.8
152 4 8 1 39.822 79.645 0.358 3.28 8 80.8 46.3
153 5 3 2 40.16 80.32 0.361 3.23 8 86.8 52.8
154 6 7 0 40.195 80.39 0.361 3.23 4 265.1 246.0
155 4 9 0 40.472 80.944 0.363 3.2 4 139.9 67.7
156 6 6 1 40.472 80.945 0.363 3.2 8 241.6 404.2
157 7 4 1 40.477 80.955 0.363 3.2 8 108.6 81.7
158 2 10 0 40.592 81.183 0.364 3.18 4 241.9 201.8
159 4 5 2 40.655 81.31 0.364 3.18 8 81.0 45.1
160 3 6 2 40.706 81.411 0.365 3.17 8 140.5 135.6
161 1 7 2 40.862 81.725 0.366 3.15 8 93.2 59.4
162 8 3 0 40.918 81.835 0.366 3.15 4 284.4 275.7
163 3 9 1 41.261 82.522 0.369 3.11 8 8.6 0.5
164 5 4 2 41.776 83.552 0.372 3.06 8 357.0 844.9
165 7 6 0 41.815 83.631 0.373 3.06 4 72.4 17.3
166 2 7 2 41.927 83.853 0.374 3.05 8 53.3 18.7
167 6 0 2 41.992 83.985 0.374 3.04 4 115.7 44.1
168 8 0 1 42.114 84.229 0.375 3.03 4 95.1 29.7
169 6 1 2 42.222 84.444 0.376 3.02 8 68.1 30.3
170 8 1 1 42.344 84.688 0.377 3.01 8 43.2 12.2
171 3 10 0 42.365 84.73 0.377 3.01 4 55.3 10.0
172 8 4 0 42.528 85.056 0.378 2.99 4 102.9 34.3
173 7 5 1 42.55 85.099 0.378 2.99 8 252.1 411.9
174 1 10 1 42.795 85.591 0.38 2.97 8 108.7 76.1
175 6 2 2 42.91 85.82 0.381 2.96 8 39.9 10.2
176 5 8 1 43.016 86.032 0.381 2.95 8 69.6 31.0
177 8 2 1 43.032 86.063 0.381 2.95 8 48.7 15.2
178 4 6 2 43.184 86.368 0.383 2.94 8 76.2 37.0
179 6 7 1 43.461 86.922 0.385 2.92 8 83.7 44.3
180 6 8 0 43.644 87.289 0.386 2.91 4 78.7 19.5
181 5 9 0 43.658 87.315 0.386 2.91 4 127.8 51.5
182 3 7 2 43.692 87.383 0.386 2.9 8 143.5 129.6
183 4 9 1 43.734 87.469 0.386 2.9 8 126.2 100.1
184 5 5 2 43.839 87.677 0.387 2.89 8 77.3 37.5
185 2 10 1 43.853 87.706 0.387 2.89 8 165.5 171.7
186 0 8 2 43.952 87.904 0.388 2.89 4 146.6 67.2
187 6 3 2 44.054 88.108 0.389 2.88 8 90.6 51.2
188 8 3 1 44.175 88.351 0.39 2.87 8 144.2 129.4
189 1 8 2 44.304 88.608 0.39 2.87 8 78.9 38.6
190 1 11 0 44.352 88.703 0.391 2.86 4 265.2 218.1
191 8 5 0 44.587 89.175 0.392 2.85 4 140.8 61.2
192 7 7 0 44.792 89.585 0.394 2.84 4 101.6 31.7
193 4 10 0 44.832 89.664 0.394 2.84 4 243.4 182.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 1 1 0 5.777 11.553 8.88696 2820.5 68.1 69.6 5.6
2 0 2 0 7.256 14.512 7.082 3205.5 77.4 79.0 5.6
3 1 2 0 8.548 17.096 6.01761 419.4 10.1 10.3 5.6
4 2 0 0 9.018 18.036 5.7065 951.7 23.0 23.4 5.6
5 2 1 0 9.729 19.458 5.29307 223.4 5.4 5.5 5.6
6 2 2 0 11.613 23.226 4.44348 420.5 10.2 10.3 5.6
7 1 3 0 11.831 23.661 4.36277 489.7 11.8 12.0 5.6
8 3 1 0 14.09 28.18 3.67411 3694.8 89.2 90.2 5.6
9 2 3 0 14.234 28.468 3.63769 2025.7 48.9 49.4 5.6
10 0 4 0 14.631 29.263 3.541 377.9 9.1 9.2 5.6
11 1 1 1 14.973 29.946 3.46204 998.2 24.1 24.3 5.6
12 1 4 0 15.336 30.672 3.38196 503.9 12.2 12.3 5.6
13 3 2 0 15.479 30.959 3.35139 296.4 7.2 7.2 5.6
14 1 2 1 16.294 32.587 3.1881 4045.0 97.7 98.4 5.6
15 2 0 1 16.555 33.11 3.13914 87.2 2.1 2.1 5.6
16 2 1 1 16.969 33.938 3.06477 1229.6 29.7 29.9 5.7
17 2 4 0 17.294 34.589 3.0088 1445.4 34.9 35.1 5.7
18 0 3 1 17.708 35.415 2.94077 475.8 11.5 11.5 5.7
19 2 2 1 18.16 36.32 2.86985 1312.7 31.7 31.8 5.7
20 1 3 1 18.306 36.612 2.84775 88.6 2.1 2.1 5.7
21 4 1 0 18.65 37.3 2.79706 72.5 1.7 1.8 5.7
22 1 5 0 18.986 37.971 2.74937 528.7 12.8 12.8 5.7
23 3 1 1 19.903 39.805 2.62749 3238.8 78.2 78.2 5.7
24 2 3 1 20.009 40.018 2.61407 4141.5 100.0 100.0 5.7
25 3 4 0 20.187 40.375 2.59196 458.7 11.1 11.1 5.7
26 2 5 0 20.641 41.283 2.53736 1184.7 28.6 28.6 5.7
27 1 4 1 20.84 41.681 2.51417 2175.1 52.5 52.4 5.7
28 4 3 0 21.487 42.974 2.44196 408.1 9.9 9.8 5.7
29 0 6 0 22.266 44.531 2.36067 384.8 9.3 9.2 5.7
30 2 4 1 22.382 44.765 2.34899 384.5 9.3 9.2 5.7
31 1 6 0 22.763 45.526 2.31173 163.8 4.0 3.9 5.7
32 4 0 1 23.177 46.353 2.2727 918.8 22.2 22.0 5.7
33 5 1 0 23.386 46.771 2.25352 95.1 2.3 2.3 5.7
34 4 1 1 23.491 46.982 2.24399 601.1 14.5 14.4 5.7
35 4 4 0 23.74 47.481 2.22174 98.7 2.4 2.4 5.7
36 1 5 1 23.77 47.54 2.21914 321.7 7.8 7.7 5.7
37 2 6 0 24.208 48.415 2.18138 857.6 20.7 20.5 5.7
38 5 2 0 24.312 48.625 2.17254 997.0 24.1 23.8 5.7
39 4 2 1 24.415 48.829 2.164 883.9 21.3 21.1 5.7
40 3 4 1 24.783 49.565 2.13386 119.7 2.9 2.9 5.7
41 2 5 1 25.17 50.341 2.10308 51.9 1.3 1.2 5.8
42 5 3 0 25.801 51.603 2.05503 102.0 2.5 2.4 5.8
43 4 3 1 25.899 51.799 2.04779 1197.0 28.9 28.5 5.8
44 4 5 0 26.42 52.839 2.01028 85.4 2.1 2.0 5.8
45 3 6 0 26.482 52.965 2.00587 227.3 5.5 5.4 5.8
46 1 7 0 26.676 53.352 1.99236 90.8 2.2 2.2 5.8
47 3 5 1 27.387 54.774 1.94448 308.9 7.5 7.3 5.8
48 5 1 1 27.566 55.133 1.93281 153.3 3.7 3.6 5.8
49 5 4 0 27.789 55.578 1.91853 1286.8 31.1 30.5 5.8
50 4 4 1 27.882 55.765 1.91264 86.0 2.1 2.0 5.8
51 6 0 0 28.049 56.099 1.90217 68.2 1.6 1.6 5.8
52 6 1 0 28.324 56.648 1.88524 43.4 1.0 1.0 5.8
53 0 0 2 28.418 56.836 1.8795 1732.9 41.8 41.0 5.8
54 1 1 2 29.106 58.212 1.83883 138.3 3.3 3.3 5.8
55 4 6 0 29.457 58.914 1.81885 47.4 1.1 1.1 5.8
56 0 2 2 29.497 58.994 1.81661 199.5 4.8 4.7 5.8
57 5 3 1 29.739 59.478 1.80316 519.7 12.5 12.3 5.8
58 3 7 0 30.046 60.091 1.78646 270.1 6.5 6.4 5.8
59 0 7 1 30.134 60.268 1.7817 1281.2 30.9 30.2 5.8
60 5 5 0 30.215 60.43 1.77739 48.5 1.2 1.1 5.8
61 4 5 1 30.303 60.606 1.7727 293.4 7.1 6.9 5.8
62 3 6 1 30.36 60.721 1.76968 537.1 13.0 12.6 5.8
63 6 3 0 30.462 60.923 1.76436 58.0 1.4 1.4 5.8
64 1 7 1 30.538 61.076 1.76038 638.0 15.4 15.0 5.8
65 1 8 0 30.747 61.494 1.74957 45.1 1.1 1.1 5.8
66 2 2 2 31.113 62.226 1.73102 66.5 1.6 1.6 5.8
67 1 3 2 31.211 62.421 1.72613 69.7 1.7 1.6 5.8
68 2 7 1 31.731 63.461 1.70073 191.0 4.6 4.5 5.9
69 6 0 1 31.804 63.607 1.69724 748.6 18.1 17.5 5.9
70 3 1 2 32.314 64.628 1.67327 792.4 19.1 18.5 5.9
71 2 3 2 32.389 64.779 1.66979 425.0 10.3 9.9 5.9
72 0 4 2 32.601 65.202 1.66014 94.3 2.3 2.2 5.9
73 4 7 0 32.815 65.63 1.65052 170.6 4.1 4.0 5.9
74 1 4 2 32.988 65.975 1.64285 109.7 2.6 2.6 5.9
75 3 2 2 33.068 66.136 1.63931 84.2 2.0 2.0 5.9
76 4 6 1 33.115 66.229 1.63726 356.7 8.6 8.3 5.9
77 7 1 0 33.52 67.04 1.61973 171.1 4.1 4.0 5.9
78 3 7 1 33.666 67.333 1.61351 121.5 2.9 2.8 5.9
79 5 5 1 33.825 67.651 1.60682 521.0 12.6 12.1 5.9
80 3 8 0 33.865 67.729 1.60518 256.7 6.2 6.0 5.9
81 6 3 1 34.058 68.115 1.59717 75.8 1.8 1.8 5.9
82 2 4 2 34.134 68.267 1.59405 409.3 9.9 9.5 5.9
83 7 2 0 34.26 68.521 1.58887 455.9 11.0 10.6 5.9
84 1 8 1 34.326 68.653 1.58618 250.4 6.0 5.8 5.9
85 1 9 0 35.011 70.022 1.55903 202.4 4.9 4.7 5.9
86 1 5 2 35.203 70.406 1.5516 216.7 5.2 5.0 5.9
87 2 8 1 35.452 70.903 1.54213 53.8 1.3 1.2 5.9
88 6 4 1 35.762 71.524 1.53051 163.9 4.0 3.8 5.9
89 3 4 2 36.005 72.01 1.52157 169.8 4.1 3.9 5.9
90 2 5 2 36.316 72.633 1.51029 453.3 10.9 10.5 6.0
91 4 8 0 36.481 72.963 1.5044 81.1 2.0 1.9 6.0
92 4 3 2 36.909 73.817 1.48942 185.3 4.5 4.3 6.0
93 7 1 1 36.964 73.928 1.48752 371.2 9.0 8.5 6.0
94 7 4 0 37.154 74.309 1.48098 64.8 1.6 1.5 6.0
95 3 8 1 37.295 74.589 1.47622 424.9 10.3 9.8 6.0
96 0 6 2 37.468 74.936 1.47038 189.7 4.6 4.4 6.0
97 7 2 1 37.675 75.35 1.4635 50.4 1.2 1.2 6.0
98 1 6 2 37.832 75.664 1.45833 77.2 1.9 1.8 6.0
99 3 9 0 37.957 75.913 1.45426 96.8 2.3 2.2 6.0
100 0 9 1 38.036 76.072 1.45168 193.0 4.7 4.4 6.0
101 3 5 2 38.143 76.286 1.44822 218.6 5.3 5.0 6.0
102 5 1 2 38.294 76.588 1.44338 49.1 1.2 1.1 6.0
103 4 4 2 38.561 77.122 1.43492 53.9 1.3 1.2 6.0
104 8 0 0 38.827 77.655 1.42663 49.1 1.2 1.1 6.0
105 2 6 2 38.916 77.833 1.42388 449.7 10.9 10.3 6.0
106 5 2 2 38.997 77.994 1.42141 541.2 13.1 12.3 6.0
107 8 1 0 39.061 78.122 1.41944 71.8 1.7 1.6 6.0
108 2 9 1 39.478 78.955 1.40687 248.9 6.0 5.7 6.0
109 5 8 0 39.744 79.488 1.39899 201.8 4.9 4.6 6.0
110 4 8 1 39.822 79.645 1.3967 46.3 1.1 1.1 6.0
111 5 3 2 40.16 80.32 1.38692 52.8 1.3 1.2 6.0
112 6 7 0 40.195 80.39 1.38592 246.0 5.9 5.6 6.0
113 7 4 1 40.477 80.955 1.3779 553.7 13.4 12.6 6.1
114 2 10 0 40.592 81.183 1.37469 201.8 4.9 4.6 6.1
115 4 5 2 40.655 81.31 1.37292 45.1 1.1 1.0 6.1
116 3 6 2 40.706 81.411 1.37151 135.6 3.3 3.1 6.1
117 1 7 2 40.862 81.725 1.36717 59.4 1.4 1.3 6.1
118 8 3 0 40.918 81.835 1.36564 275.7 6.7 6.2 6.1
119 5 4 2 41.776 83.552 1.3426 844.9 20.4 19.0 6.1
120 6 0 2 41.992 83.985 1.33695 44.1 1.1 1.0 6.1
121 7 5 1 42.55 85.099 1.32272 446.2 10.8 10.0 6.1
122 1 10 1 42.795 85.591 1.31658 76.1 1.8 1.7 6.1
123 5 8 1 43.016 86.032 1.31113 46.1 1.1 1.0 6.1
124 6 7 1 43.461 86.922 1.30036 44.3 1.1 1.0 6.1
125 5 9 0 43.658 87.315 1.29567 71.0 1.7 1.6 6.2
126 3 7 2 43.692 87.383 1.29486 129.6 3.1 2.9 6.2
127 4 9 1 43.734 87.469 1.29385 100.1 2.4 2.2 6.2
128 2 10 1 43.853 87.706 1.29106 209.2 5.1 4.7 6.2
129 0 8 2 43.952 87.904 1.28874 67.2 1.6 1.5 6.2
130 6 3 2 44.054 88.108 1.28637 51.2 1.2 1.1 6.2
131 8 3 1 44.175 88.351 1.28356 129.4 3.1 2.9 6.2
132 1 11 0 44.352 88.703 1.27952 218.1 5.3 4.8 6.2
133 8 5 0 44.587 89.175 1.27417 61.2 1.5 1.4 6.2
134 4 10 0 44.832 89.664 1.26868 182.1 4.4 4.0 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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