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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BERTHIERITE
3, t-berthierite, g-berthierite
FeSb(2)S(4)
Orthorhombic P nam Z = 4
R =0.062 NR =2737
11 .12 .1992
Ref.Str.:
Bente K., Edenharter A. (1989)
* Z. Kristallogr.,186, 31-33
Reserv:
U(ij) see in original
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.423 alpha = 90.0
b = 14.174 beta = 90.0
c = 3.765 gamma = 90.0
Unit cell volume (cub. angs.) = 609.59
Molar volume ( cub.cm/mol.) = 91.79
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3171 0.3352 0.25 0.0 Fe = 1.00
2 0.1447 0.0629 0.25 0.0 Sb = 1.00
3 0.0388 0.3856 0.75 0.0 Sb = 1.00
4 0.1955 0.2703 0.75 0.0 S = 1.00
5 0.4216 0.1841 0.25 0.0 S = 1.00
6 0.2235 0.4944 0.25 0.0 S = 1.00
7 0.4503 0.4043 0.75 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3171 0.3352 0.25
2 2 0.1447 0.0629 0.25
3 3 0.0388 0.3856 0.75
4 4 0.1955 0.2703 0.75
5 5 0.4216 0.1841 0.25
6 6 0.2235 0.4944 0.25
7 7 0.4503 0.4043 0.75
8 1 0.6829 0.6648 0.75
9 2 0.8553 0.9371 0.75
10 3 0.9612 0.6144 0.25
11 4 0.8045 0.7297 0.25
12 5 0.5784 0.8159 0.75
13 6 0.7765 0.5056 0.75
14 7 0.5497 0.5957 0.25
15 1 0.8171 0.1648 0.25
16 2 0.6447 0.4371 0.25
17 3 0.5388 0.1144 0.75
18 4 0.6955 0.2297 0.75
19 5 0.9216 0.3159 0.25
20 6 0.7235 0.0056 0.25
21 7 0.9503 0.0957 0.75
22 1 0.1829 0.8352 0.75
23 2 0.3553 0.5629 0.75
24 3 0.4612 0.8856 0.25
25 4 0.3045 0.7703 0.25
26 5 0.0784 0.6841 0.75
27 6 0.2765 0.9944 0.75
28 7 0.0497 0.9043 0.25
X-ray density (g/cm cub.) = 4.66
MU (1/cm) = 1259.158 Mass attenuation coefficient (cm**2/g) = 270.349
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 3.144 6
2.5138 4
2.5138 4
2.4519 5
2.497 6
2.6112 7
2.6112 7
2 Sb 3.264 5
2.9481 7
2.9481 7
2.5987 6
2.5987 6
2.4962 7
3 Sb 3.264 5
2.4238 4
3.2208 6
3.2208 6
2.5124 5
2.5124 5
4 S 4.368 11
3.765 4
3.765 4
3.4216 5
3.4216 5
3.7062 6
3.7062 6
3.4755 7
3.7082 5
3.7082 5
3.7376 7
4.0186 6
5 S 4.368 11
3.4216 4
3.4216 4
3.765 5
3.765 5
3.6596 7
3.6596 7
3.7082 4
3.7082 4
4.2772 6
3.6771 6
3.6771 6
6 S 4.368 11
3.7062 4
3.7062 4
3.765 6
3.765 6
3.4477 7
3.4477 7
3.9932 7
4.2772 5
4.0186 4
3.6771 5
3.6771 5
7 S 4.368 11
3.4755 4
3.6596 5
3.6596 5
3.4477 6
3.4477 6
3.765 7
3.765 7
3.9932 6
3.4918 7
3.4918 7
3.7376 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 5.772 11.544 0.056 194.78 4 2.2 1.0
2 0 2 0 7.251 14.501 0.071 122.6 2 99.2 648.7
3 1 2 0 8.542 17.083 0.083 87.72 4 30.1 85.8
4 2 0 0 9.01 18.02 0.088 78.62 2 37.7 60.1
5 2 1 0 9.721 19.441 0.094 67.23 4 42.3 129.6
6 2 2 0 11.603 23.207 0.112 46.55 4 4.2 0.9
7 1 3 0 11.822 23.644 0.115 44.77 4 135.9 889.7
8 3 1 0 14.078 28.156 0.136 30.97 4 242.0 1952.2
9 2 3 0 14.223 28.446 0.137 30.3 4 184.7 1112.7
10 0 1 1 14.23 28.46 0.137 30.27 4 3.9 0.5
11 0 4 0 14.621 29.242 0.141 28.57 2 168.5 436.6
12 1 1 1 14.95 29.901 0.144 27.24 8 99.1 575.9
13 1 4 0 15.325 30.649 0.148 25.83 4 177.5 876.2
14 3 2 0 15.466 30.932 0.149 25.33 4 34.5 32.4
15 1 2 1 16.271 32.542 0.157 22.7 8 202.6 2006.1
16 2 0 1 16.532 33.063 0.159 21.93 4 4.3 0.4
17 2 1 1 16.945 33.891 0.163 20.79 8 127.7 729.4
18 2 4 0 17.281 34.562 0.166 19.92 4 225.0 1085.4
19 3 3 0 17.56 35.12 0.169 19.23 4 97.3 196.1
20 0 3 1 17.685 35.369 0.17 18.94 4 6.4 0.8
21 2 2 1 18.136 36.273 0.174 17.92 8 216.6 1810.0
22 4 0 0 18.253 36.506 0.175 17.67 2 20.7 4.1
23 1 3 1 18.283 36.566 0.175 17.6 8 16.5 10.4
24 4 1 0 18.633 37.266 0.179 16.88 4 21.1 8.1
25 1 5 0 18.972 37.943 0.182 16.23 4 24.6 10.6
26 4 2 0 19.736 39.472 0.189 14.87 4 42.0 28.2
27 3 1 1 19.877 39.755 0.19 14.63 8 243.2 1863.8
28 2 3 1 19.985 39.97 0.191 14.46 8 242.9 1836.7
29 3 4 0 20.171 40.341 0.193 14.17 4 58.3 51.8
30 2 5 0 20.625 41.251 0.197 13.48 4 206.4 618.0
31 1 4 1 20.816 41.632 0.199 13.2 8 117.4 391.8
32 3 2 1 20.925 41.85 0.2 13.05 8 88.6 220.5
33 4 3 0 21.468 42.936 0.205 12.32 4 53.0 37.2
34 0 6 0 22.249 44.498 0.212 11.37 2 93.2 53.1
35 2 4 1 22.357 44.714 0.213 11.25 8 77.3 144.7
36 3 3 1 22.582 45.165 0.215 11.0 8 61.2 88.6
37 1 6 0 22.746 45.492 0.216 10.82 4 110.0 141.0
38 4 0 1 23.149 46.298 0.22 10.4 4 113.9 145.3
39 3 5 0 23.164 46.329 0.22 10.38 4 144.1 232.2
40 0 5 1 23.264 46.528 0.221 10.28 4 93.9 97.5
41 5 1 0 23.364 46.728 0.222 10.18 4 54.6 32.7
42 4 1 1 23.463 46.926 0.223 10.08 8 149.7 486.4
43 4 4 0 23.72 47.44 0.225 9.84 4 47.8 24.2
44 1 5 1 23.744 47.488 0.225 9.82 8 127.4 343.0
45 2 6 0 24.189 48.377 0.229 9.41 4 104.1 109.7
46 5 2 0 24.29 48.58 0.23 9.32 4 241.7 586.2
47 4 2 1 24.386 48.772 0.231 9.24 8 130.6 339.4
48 3 4 1 24.755 49.51 0.234 8.93 8 44.2 37.5
49 2 5 1 25.143 50.286 0.238 8.62 8 73.0 98.9
50 5 3 0 25.778 51.556 0.243 8.14 4 88.6 68.8
51 4 3 1 25.87 51.74 0.244 8.08 8 194.1 655.0
52 4 5 0 26.397 52.794 0.249 7.71 4 210.5 368.0
53 3 6 0 26.461 52.922 0.249 7.67 4 195.3 314.9
54 1 7 0 26.656 53.311 0.251 7.54 4 122.1 121.0
55 1 6 1 26.988 53.976 0.254 7.33 8 69.3 75.9
56 3 5 1 27.358 54.716 0.257 7.11 8 80.0 98.1
57 5 1 1 27.535 55.069 0.258 7.01 8 3.3 0.2
58 5 4 0 27.764 55.529 0.26 6.88 4 273.0 551.6
59 4 4 1 27.852 55.703 0.261 6.83 8 67.1 66.1
60 2 7 0 27.949 55.897 0.262 6.77 4 81.3 48.2
61 6 0 0 28.023 56.045 0.263 6.73 2 123.6 55.3
62 2 6 1 28.271 56.541 0.265 6.6 8 145.6 301.0
63 6 1 0 28.297 56.594 0.265 6.59 4 27.7 5.4
64 5 2 1 28.361 56.723 0.266 6.55 8 116.5 191.6
65 0 0 2 28.369 56.738 0.266 6.55 2 523.4 965.4
66 1 1 2 29.056 58.113 0.271 6.2 8 0.9 0.0
67 6 2 0 29.109 58.219 0.272 6.18 4 28.2 5.3
68 4 6 0 29.432 58.864 0.275 6.03 4 54.0 18.9
69 0 2 2 29.447 58.894 0.275 6.02 4 78.5 39.9
70 5 3 1 29.706 59.412 0.277 5.9 8 220.4 617.4
71 1 2 2 29.856 59.712 0.278 5.84 8 18.0 4.1
72 2 0 2 30.019 60.038 0.28 5.77 4 33.6 7.0
73 3 7 0 30.021 60.042 0.28 5.76 4 35.1 7.6
74 0 7 1 30.104 60.208 0.28 5.73 4 350.8 758.9
75 5 5 0 30.188 60.376 0.281 5.69 4 57.4 20.2
76 4 5 1 30.271 60.541 0.282 5.66 8 70.4 60.3
77 2 1 2 30.282 60.563 0.282 5.65 8 37.8 17.4
78 0 8 0 30.321 60.642 0.282 5.64 2 26.8 2.2
79 3 6 1 30.329 60.658 0.282 5.63 8 198.4 477.6
80 6 3 0 30.433 60.866 0.283 5.59 4 39.8 9.6
81 1 7 1 30.507 61.015 0.284 5.56 8 204.1 498.6
82 1 8 0 30.723 61.445 0.286 5.48 4 7.7 0.3
83 2 2 2 31.062 62.124 0.288 5.34 8 3.7 0.2
84 1 3 2 31.16 62.32 0.289 5.31 8 103.7 122.9
85 5 4 1 31.528 63.056 0.292 5.17 8 110.1 134.8
86 2 7 1 31.699 63.397 0.294 5.11 8 89.5 88.2
87 6 0 1 31.767 63.535 0.294 5.09 4 259.9 370.0
88 2 8 0 31.909 63.819 0.295 5.04 4 97.6 51.6
89 6 1 1 32.022 64.043 0.296 5.0 8 30.4 10.0
90 6 4 0 32.231 64.462 0.298 4.93 4 39.1 8.1
91 3 1 2 32.262 64.523 0.298 4.92 8 194.8 401.8
92 2 3 2 32.338 64.676 0.299 4.89 8 150.5 238.5
93 0 4 2 32.55 65.1 0.301 4.82 4 136.8 97.2
94 6 2 1 32.778 65.556 0.303 4.75 8 4.4 0.2
95 4 7 0 32.787 65.573 0.303 4.75 4 66.8 22.8
96 1 4 2 32.936 65.872 0.304 4.7 8 140.6 200.2
97 5 6 0 33.001 66.002 0.304 4.68 4 51.0 13.1
98 3 2 2 33.015 66.03 0.305 4.68 8 29.2 8.6
99 4 6 1 33.08 66.16 0.305 4.66 8 55.6 31.0
100 7 1 0 33.487 66.974 0.308 4.54 4 169.3 140.2
101 3 7 1 33.632 67.264 0.31 4.5 8 10.5 1.1
102 5 5 1 33.789 67.578 0.311 4.46 8 90.7 78.9
103 3 8 0 33.836 67.673 0.311 4.44 4 91.7 40.2
104 6 3 1 34.02 68.039 0.313 4.39 8 111.4 117.4
105 2 4 2 34.081 68.162 0.313 4.38 8 174.7 287.8
106 7 2 0 34.227 68.453 0.314 4.34 4 225.0 236.3
107 3 3 2 34.252 68.505 0.315 4.33 8 75.3 52.8
108 1 8 1 34.293 68.585 0.315 4.32 8 29.5 8.1
109 6 5 0 34.468 68.935 0.316 4.28 4 91.9 38.8
110 4 0 2 34.687 69.374 0.318 4.22 4 19.5 1.7
111 4 1 2 34.93 69.861 0.32 4.16 8 22.0 4.3
112 1 9 0 34.982 69.965 0.32 4.15 4 212.8 202.3
113 1 5 2 35.15 70.3 0.322 4.11 8 25.9 5.9
114 2 8 1 35.416 70.833 0.324 4.05 8 138.3 166.6
115 7 3 0 35.443 70.887 0.324 4.04 4 49.4 10.6
116 4 2 2 35.656 71.312 0.326 3.99 8 37.3 12.0
117 6 4 1 35.722 71.445 0.326 3.98 8 129.9 144.6
118 3 4 2 35.95 71.9 0.328 3.93 8 42.7 15.4
119 2 9 0 36.097 72.193 0.329 3.9 4 5.5 0.1
120 5 7 0 36.176 72.352 0.33 3.88 4 32.5 4.4
121 4 7 1 36.252 72.504 0.331 3.87 8 30.0 7.5
122 2 5 2 36.262 72.524 0.331 3.86 8 165.9 228.9
123 4 8 0 36.45 72.899 0.332 3.83 4 231.5 220.7
124 5 6 1 36.457 72.913 0.332 3.83 8 27.7 6.3
125 4 3 2 36.852 73.705 0.335 3.75 8 43.3 15.1
126 7 1 1 36.921 73.843 0.336 3.73 8 114.7 105.8
127 6 6 0 37.114 74.228 0.337 3.7 4 66.9 17.8
128 7 4 0 37.118 74.235 0.337 3.7 4 33.1 4.4
129 3 8 1 37.257 74.513 0.338 3.67 8 53.4 22.5
130 0 6 2 37.413 74.826 0.34 3.64 4 81.1 25.8
131 7 2 1 37.632 75.263 0.341 3.61 8 104.9 85.5
132 1 6 2 37.776 75.553 0.342 3.58 8 92.4 65.8
133 6 5 1 37.864 75.727 0.343 3.57 8 45.4 15.9
134 3 9 0 37.924 75.848 0.344 3.56 4 129.0 63.7
135 0 9 1 37.998 75.996 0.344 3.54 4 77.5 22.9
136 3 5 2 38.086 76.173 0.345 3.53 8 121.3 111.8
137 5 1 2 38.235 76.471 0.346 3.51 8 46.2 16.1
138 1 9 1 38.36 76.719 0.347 3.49 8 13.5 1.4
139 4 4 2 38.503 77.007 0.348 3.46 8 41.4 12.8
140 8 0 0 38.787 77.574 0.35 3.42 2 108.8 21.8
141 7 3 1 38.805 77.61 0.35 3.42 8 1.3 0.0
142 2 6 2 38.86 77.72 0.351 3.41 8 84.3 52.2
143 5 2 2 38.938 77.875 0.351 3.4 8 203.9 304.0
144 8 1 0 39.02 78.041 0.352 3.39 4 107.5 42.1
145 0 10 0 39.128 78.256 0.353 3.37 2 26.2 1.2
146 7 5 0 39.231 78.463 0.354 3.36 4 17.8 1.1
147 2 9 1 39.438 78.876 0.355 3.33 8 6.6 0.3
148 1 10 0 39.487 78.973 0.355 3.32 4 107.5 41.3
149 5 7 1 39.515 79.031 0.356 3.32 8 137.2 134.5
150 5 8 0 39.708 79.415 0.357 3.29 4 119.2 50.4
151 8 2 0 39.718 79.437 0.357 3.29 4 115.5 47.3
152 4 8 1 39.781 79.562 0.358 3.28 8 25.4 4.6
153 5 3 2 40.1 80.199 0.36 3.24 8 71.1 35.3
154 6 7 0 40.156 80.313 0.36 3.24 4 176.0 107.9
155 6 6 1 40.428 80.855 0.363 3.2 8 99.9 68.8
156 7 4 1 40.431 80.862 0.363 3.2 8 130.8 117.9
157 4 9 0 40.436 80.871 0.363 3.2 4 80.6 22.4
158 2 10 0 40.557 81.113 0.363 3.19 4 130.0 58.0
159 4 5 2 40.595 81.19 0.364 3.18 8 175.2 210.4
160 3 6 2 40.646 81.293 0.364 3.18 8 164.3 184.7
161 1 7 2 40.804 81.608 0.365 3.16 8 104.2 73.9
162 8 3 0 40.875 81.75 0.366 3.15 4 181.3 111.6
163 3 9 1 41.219 82.437 0.368 3.11 8 30.3 6.2
164 5 4 2 41.713 83.427 0.372 3.07 8 230.5 350.6
165 7 6 0 41.773 83.547 0.372 3.06 4 120.0 47.5
166 2 7 2 41.867 83.733 0.373 3.05 8 67.2 29.6
167 6 0 2 41.928 83.857 0.374 3.04 4 103.7 35.3
168 8 0 1 42.064 84.129 0.375 3.03 4 1.3 0.0
169 6 1 2 42.158 84.316 0.375 3.02 8 25.0 4.1
170 8 1 1 42.294 84.587 0.376 3.01 8 33.2 7.1
171 3 10 0 42.327 84.654 0.376 3.01 4 112.2 40.8
172 8 4 0 42.483 84.966 0.378 3.0 4 77.7 19.5
173 7 5 1 42.501 85.002 0.378 2.99 8 150.6 146.3
174 1 10 1 42.752 85.504 0.379 2.97 8 61.9 24.6
175 6 2 2 42.845 85.69 0.38 2.97 8 25.5 4.2
176 5 8 1 42.97 85.94 0.381 2.96 8 6.1 0.2
177 8 2 1 42.98 85.961 0.381 2.96 8 13.0 1.1
178 4 6 2 43.121 86.242 0.382 2.94 8 46.6 13.8
179 6 7 1 43.412 86.825 0.384 2.92 8 48.6 14.9
180 6 8 0 43.601 87.203 0.386 2.91 4 71.4 16.0
181 5 9 0 43.616 87.232 0.386 2.91 4 137.0 58.8
182 3 7 2 43.629 87.258 0.386 2.91 8 31.8 6.3
183 4 9 1 43.688 87.376 0.386 2.9 8 54.1 18.3
184 5 5 2 43.774 87.548 0.387 2.9 8 48.4 14.6
185 2 10 1 43.808 87.616 0.387 2.9 8 75.4 35.4
186 0 8 2 43.89 87.78 0.388 2.89 4 21.9 1.5
187 6 3 2 43.988 87.975 0.388 2.89 8 34.0 7.2
188 8 3 1 44.123 88.246 0.389 2.88 8 105.7 69.2
189 1 8 2 44.241 88.483 0.39 2.87 8 4.4 0.1
190 1 11 0 44.312 88.624 0.39 2.87 4 5.5 0.1
191 8 5 0 44.54 89.08 0.392 2.85 4 27.8 2.4
192 7 7 0 44.746 89.493 0.394 2.84 4 102.8 32.3
193 4 10 0 44.79 89.58 0.394 2.84 4 146.6 65.7
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 0 2 0 7.251 14.501 7.087 648.7 32.3 32.8 5.6
2 1 2 0 8.542 17.083 6.02214 85.8 4.3 4.3 5.6
3 2 0 0 9.01 18.02 5.7115 60.1 3.0 3.0 5.6
4 2 1 0 9.721 19.441 5.29758 129.6 6.5 6.5 5.6
5 1 3 0 11.822 23.644 4.36595 889.7 44.4 44.7 5.6
6 3 1 0 14.078 28.156 3.67729 1952.2 97.3 97.7 5.6
7 2 3 0 14.223 28.446 3.64051 1113.2 55.5 55.7 5.6
8 0 4 0 14.621 29.242 3.5435 436.6 21.8 21.8 5.6
9 1 1 1 14.95 29.901 3.46715 575.9 28.7 28.8 5.6
10 1 4 0 15.325 30.649 3.3844 876.2 43.7 43.7 5.6
11 3 2 0 15.466 30.932 3.3542 32.4 1.6 1.6 5.6
12 1 2 1 16.271 32.542 3.19244 2006.1 100.0 100.0 5.6
13 2 1 1 16.945 33.891 3.0689 729.4 36.4 36.3 5.7
14 2 4 0 17.281 34.562 3.01107 1085.4 54.1 54.0 5.7
15 3 3 0 17.56 35.12 2.96472 196.1 9.8 9.8 5.7
16 2 2 1 18.136 36.273 2.87348 1810.0 90.2 89.9 5.7
17 4 2 0 19.736 39.472 2.64879 28.2 1.4 1.4 5.7
18 3 1 1 19.877 39.755 2.6307 1863.8 92.9 92.3 5.7
19 2 3 1 19.985 39.97 2.61713 1836.7 91.6 90.9 5.7
20 3 4 0 20.171 40.341 2.594 51.8 2.6 2.6 5.7
21 2 5 0 20.625 41.251 2.53924 618.0 30.8 30.6 5.7
22 1 4 1 20.816 41.632 2.51697 391.8 19.5 19.4 5.7
23 3 2 1 20.925 41.85 2.50447 220.5 11.0 10.9 5.7
24 4 3 0 21.468 42.936 2.44399 37.2 1.9 1.8 5.7
25 0 6 0 22.249 44.498 2.36233 53.1 2.6 2.6 5.7
26 2 4 1 22.357 44.714 2.35153 144.7 7.2 7.1 5.7
27 3 3 1 22.582 45.165 2.32926 88.6 4.4 4.4 5.7
28 1 6 0 22.746 45.492 2.31338 141.0 7.0 6.9 5.7
29 3 5 0 23.164 46.329 2.27383 377.4 18.8 18.6 5.7
30 0 5 1 23.264 46.528 2.26465 97.5 4.9 4.8 5.7
31 5 1 0 23.364 46.728 2.25549 32.7 1.6 1.6 5.7
32 4 1 1 23.463 46.926 2.24652 486.4 24.2 23.9 5.7
33 1 5 1 23.744 47.488 2.22141 367.2 18.3 18.0 5.7
34 2 6 0 24.189 48.377 2.18298 109.7 5.5 5.4 5.7
35 5 2 0 24.29 48.58 2.17441 586.2 29.2 28.8 5.7
36 4 2 1 24.386 48.772 2.16637 339.4 16.9 16.6 5.7
37 3 4 1 24.755 49.51 2.13609 37.5 1.9 1.8 5.7
38 2 5 1 25.143 50.286 2.1052 98.9 4.9 4.8 5.8
39 5 3 0 25.778 51.556 2.05676 68.8 3.4 3.4 5.8
40 4 3 1 25.87 51.74 2.04996 655.0 32.7 32.0 5.8
41 4 5 0 26.397 52.794 2.01187 368.0 18.3 18.0 5.8
42 3 6 0 26.461 52.922 2.00738 314.9 15.7 15.4 5.8
43 1 7 0 26.656 53.311 1.99378 121.0 6.0 5.9 5.8
44 1 6 1 26.988 53.976 1.97104 75.9 3.8 3.7 5.8
45 3 5 1 27.358 54.716 1.9464 98.1 4.9 4.8 5.8
46 5 4 0 27.764 55.529 1.92012 551.6 27.5 26.8 5.8
47 4 4 1 27.852 55.703 1.91458 66.1 3.3 3.2 5.8
48 2 7 0 27.949 55.897 1.90847 48.2 2.4 2.3 5.8
49 6 0 0 28.023 56.045 1.90383 55.3 2.8 2.7 5.8
50 2 6 1 28.271 56.541 1.8885 306.5 15.3 14.9 5.8
51 0 0 2 28.369 56.738 1.8825 1157.0 57.7 56.2 5.8
52 0 2 2 29.447 58.894 1.81941 58.8 2.9 2.8 5.8
53 5 3 1 29.706 59.412 1.80499 617.4 30.8 29.9 5.8
54 0 7 1 30.104 60.208 1.78331 758.9 37.8 36.7 5.8
55 5 5 0 30.188 60.376 1.77883 20.2 1.0 1.0 5.8
56 4 5 1 30.271 60.541 1.77442 77.7 3.9 3.8 5.8
57 3 6 1 30.329 60.658 1.77134 479.8 23.9 23.2 5.8
58 1 7 1 30.507 61.015 1.76197 498.6 24.9 24.1 5.8
59 1 3 2 31.16 62.32 1.72866 122.9 6.1 5.9 5.8
60 5 4 1 31.528 63.056 1.71052 134.8 6.7 6.5 5.9
61 2 7 1 31.699 63.397 1.70227 88.2 4.4 4.2 5.9
62 6 0 1 31.767 63.535 1.69897 370.0 18.4 17.8 5.9
63 2 8 0 31.909 63.819 1.6922 51.6 2.6 2.5 5.9
64 3 1 2 32.262 64.523 1.67569 401.8 20.0 19.3 5.9
65 2 3 2 32.338 64.676 1.67217 238.5 11.9 11.4 5.9
66 0 4 2 32.55 65.1 1.66246 97.2 4.8 4.7 5.9
67 4 7 0 32.787 65.573 1.65178 22.8 1.1 1.1 5.9
68 1 4 2 32.936 65.872 1.64513 200.2 10.0 9.6 5.9
69 5 6 0 33.001 66.002 1.64225 21.7 1.1 1.0 5.9
70 4 6 1 33.08 66.16 1.63878 31.0 1.5 1.5 5.9
71 7 1 0 33.487 66.974 1.62115 140.2 7.0 6.7 5.9
72 5 5 1 33.789 67.578 1.60835 78.9 3.9 3.8 5.9
73 3 8 0 33.836 67.673 1.60636 40.2 2.0 1.9 5.9
74 6 3 1 34.02 68.039 1.59875 117.4 5.9 5.6 5.9
75 2 4 2 34.081 68.162 1.59622 287.8 14.3 13.7 5.9
76 7 2 0 34.227 68.453 1.59024 289.2 14.4 13.8 5.9
77 6 5 0 34.468 68.935 1.58048 38.8 1.9 1.8 5.9
78 1 9 0 34.982 69.965 1.56013 202.3 10.1 9.6 5.9
79 2 8 1 35.416 70.833 1.54347 177.2 8.8 8.4 5.9
80 6 4 1 35.722 71.445 1.53198 144.6 7.2 6.9 5.9
81 2 5 2 36.262 72.524 1.51225 236.4 11.8 11.2 5.9
82 4 8 0 36.45 72.899 1.50554 227.0 11.3 10.7 6.0
83 7 1 1 36.921 73.843 1.48898 105.8 5.3 5.0 6.0
84 6 6 0 37.114 74.228 1.48236 22.2 1.1 1.0 6.0
85 3 8 1 37.257 74.513 1.4775 22.5 1.1 1.1 6.0
86 0 6 2 37.413 74.826 1.47222 25.8 1.3 1.2 6.0
87 7 2 1 37.632 75.263 1.46493 85.5 4.3 4.0 6.0
88 1 6 2 37.776 75.553 1.46015 65.8 3.3 3.1 6.0
89 3 9 0 37.924 75.848 1.45532 63.7 3.2 3.0 6.0
90 0 9 1 37.998 75.996 1.4529 22.9 1.1 1.1 6.0
91 3 5 2 38.086 76.173 1.45005 111.8 5.6 5.3 6.0
92 8 0 0 38.787 77.574 1.42788 21.8 1.1 1.0 6.0
93 2 6 2 38.86 77.72 1.42562 52.2 2.6 2.4 6.0
94 5 2 2 38.938 77.875 1.42323 304.0 15.2 14.2 6.0
95 8 1 0 39.02 78.041 1.42068 42.1 2.1 2.0 6.0
96 5 7 1 39.515 79.031 1.40575 175.8 8.8 8.2 6.0
97 5 8 0 39.708 79.415 1.40007 97.6 4.9 4.6 6.0
98 5 3 2 40.1 80.199 1.38866 35.3 1.8 1.6 6.0
99 6 7 0 40.156 80.313 1.38703 107.9 5.4 5.0 6.0
100 7 4 1 40.431 80.862 1.3792 209.0 10.4 9.7 6.1
101 2 10 0 40.557 81.113 1.37567 58.0 2.9 2.7 6.1
102 4 5 2 40.595 81.19 1.37459 210.4 10.5 9.8 6.1
103 3 6 2 40.646 81.293 1.37316 184.7 9.2 8.6 6.1
104 1 7 2 40.804 81.608 1.36878 73.9 3.7 3.4 6.1
105 8 3 0 40.875 81.75 1.36682 111.6 5.6 5.2 6.1
106 5 4 2 41.713 83.427 1.34423 350.6 17.5 16.2 6.1
107 7 6 0 41.773 83.547 1.34266 47.5 2.4 2.2 6.1
108 2 7 2 41.867 83.733 1.34022 29.6 1.5 1.4 6.1
109 6 0 2 41.928 83.857 1.33861 35.3 1.8 1.6 6.1
110 3 10 0 42.327 84.654 1.32835 40.8 2.0 1.9 6.1
111 7 5 1 42.501 85.002 1.32394 165.8 8.3 7.6 6.1
112 1 10 1 42.752 85.504 1.31766 24.6 1.2 1.1 6.1
113 5 9 0 43.616 87.232 1.29665 81.1 4.0 3.7 6.2
114 2 10 1 43.808 87.616 1.29212 35.4 1.8 1.6 6.2
115 8 3 1 44.123 88.246 1.28478 69.2 3.4 3.2 6.2
116 7 7 0 44.746 89.493 1.27059 32.3 1.6 1.5 6.2
117 4 10 0 44.79 89.58 1.26962 65.7 3.3 3.0 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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