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
2, t-berthierite, g-berthierite
FeSb(2)S(4)
Orthorhombic P nam Z = 4
R =0.018 NR =732
25 .2 .1993
Ref.Str.:
Lemoine P., Carre D., Robert F. (1991)
* Acta Cryst., C47, 938-940
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.401 alpha = 90.0
b = 14.148 beta = 90.0
c = 3.758 gamma = 90.0
Unit cell volume (cub. angs.) = 606.17
Molar volume ( cub.cm/mol.) = 91.28
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3166 0.3348 0.25 0.01 Fe = 1.00
2 0.1446 0.063 0.25 0.01 Sb = 1.00
3 0.0388 0.3855 0.75 0.01 Sb = 1.00
4 0.1955 0.2702 0.75 0.01 S = 1.00
5 0.422 0.1842 0.25 0.01 S = 1.00
6 0.2236 0.4945 0.25 0.01 S = 1.00
7 0.4506 0.4046 0.75 0.01 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3166 0.3348 0.25
2 2 0.1446 0.063 0.25
3 3 0.0388 0.3855 0.75
4 4 0.1955 0.2702 0.75
5 5 0.422 0.1842 0.25
6 6 0.2236 0.4945 0.25
7 7 0.4506 0.4046 0.75
8 1 0.6834 0.6652 0.75
9 2 0.8554 0.937 0.75
10 3 0.9612 0.6145 0.25
11 4 0.8045 0.7298 0.25
12 5 0.578 0.8158 0.75
13 6 0.7764 0.5055 0.75
14 7 0.5494 0.5954 0.25
15 1 0.8166 0.1652 0.25
16 2 0.6446 0.437 0.25
17 3 0.5388 0.1145 0.75
18 4 0.6955 0.2298 0.75
19 5 0.922 0.3158 0.25
20 6 0.7236 0.0055 0.25
21 7 0.9506 0.0954 0.75
22 1 0.1834 0.8348 0.75
23 2 0.3554 0.563 0.75
24 3 0.4612 0.8855 0.25
25 4 0.3045 0.7702 0.25
26 5 0.078 0.6842 0.75
27 6 0.2764 0.9945 0.75
28 7 0.0494 0.9046 0.25
X-ray density (g/cm cub.) = 4.68
MU (1/cm) = 1033.753 Mass attenuation coefficient (cm**2/g) = 220.708
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 3.144 6
2.5044 4
2.5044 4
2.4462 5
2.4959 6
2.6153 7
2.6153 7
2 Sb 3.264 5
2.9382 7
2.9382 7
2.5938 6
2.5938 6
2.49 7
3 Sb 3.264 5
2.4192 4
3.2168 6
3.2168 6
2.5053 5
2.5053 5
4 S 4.368 11
3.758 4
3.758 4
3.4175 5
3.4175 5
3.7019 6
3.7019 6
3.4748 7
3.6973 5
3.6973 5
3.7299 7
4.0082 6
5 S 4.368 11
3.4175 4
3.4175 4
3.758 5
3.758 5
3.6552 7
3.6552 7
3.6973 4
3.6973 4
4.268 6
3.6728 6
3.6728 6
6 S 4.368 11
3.7019 4
3.7019 4
3.758 6
3.758 6
3.4418 7
3.4418 7
3.9793 7
4.268 5
4.0082 4
3.6728 5
3.6728 5
7 S 4.368 11
3.4748 4
3.6552 5
3.6552 5
3.4418 6
3.4418 6
3.758 7
3.758 7
3.9793 6
3.4766 7
3.4766 7
3.7299 4
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 1 0 4.978 9.956 0.056 262.66 4 1.8 0.9
2 0 2 0 6.251 12.503 0.071 165.71 2 99.4 891.9
3 1 2 0 7.362 14.725 0.083 118.84 4 26.9 93.5
4 2 0 0 7.766 15.532 0.088 106.59 2 39.7 91.6
5 2 1 0 8.377 16.753 0.095 91.3 4 44.6 197.9
6 2 2 0 9.994 19.987 0.113 63.49 4 2.9 0.6
7 1 3 0 10.181 20.362 0.115 61.1 4 138.4 1274.1
8 3 1 0 12.115 24.23 0.136 42.53 4 236.6 2591.4
9 2 3 0 12.239 24.477 0.138 41.63 4 183.1 1519.3
10 0 1 1 12.244 24.488 0.138 41.59 4 8.1 3.0
11 0 4 0 12.579 25.157 0.141 39.3 2 163.1 569.3
12 1 1 1 12.861 25.721 0.144 37.51 8 99.6 809.6
13 1 4 0 13.18 26.361 0.148 35.61 4 173.5 1167.5
14 3 2 0 13.302 26.604 0.149 34.93 4 34.1 44.3
15 1 2 1 13.989 27.978 0.157 31.39 8 197.6 2668.8
16 2 0 1 14.212 28.423 0.159 30.35 4 1.9 0.1
17 2 1 1 14.564 29.129 0.163 28.81 8 123.6 958.0
18 2 4 0 14.85 29.7 0.166 27.63 4 228.9 1576.0
19 3 3 0 15.088 30.177 0.169 26.71 4 93.9 256.4
20 0 3 1 15.194 30.388 0.17 26.31 4 5.3 0.8
21 2 2 1 15.579 31.158 0.174 24.93 8 216.7 2548.5
22 4 0 0 15.679 31.358 0.175 24.59 2 17.0 3.9
23 1 3 1 15.703 31.407 0.176 24.51 8 10.0 5.3
24 4 1 0 16.003 32.005 0.179 23.53 4 14.1 5.1
25 1 5 0 16.289 32.578 0.182 22.65 4 20.1 10.0
26 4 2 0 16.94 33.879 0.189 20.8 4 41.0 38.0
27 3 1 1 17.059 34.118 0.19 20.49 8 244.6 2667.4
28 2 3 1 17.15 34.3 0.191 20.25 8 243.7 2618.1
29 3 4 0 17.308 34.616 0.193 19.85 4 59.8 77.4
30 2 5 0 17.693 35.386 0.197 18.92 4 202.5 844.6
31 1 4 1 17.855 35.709 0.199 18.54 8 117.7 559.3
32 3 2 1 17.947 35.895 0.2 18.34 8 86.1 295.6
33 4 3 0 18.408 36.815 0.205 17.34 4 52.7 52.5
34 0 6 0 19.067 38.133 0.212 16.05 2 96.5 81.4
35 2 4 1 19.158 38.316 0.213 15.88 8 73.4 186.1
36 3 3 1 19.349 38.698 0.215 15.54 8 60.2 122.8
37 1 6 0 19.486 38.972 0.217 15.29 4 107.2 191.2
38 4 0 1 19.827 39.655 0.22 14.72 4 116.3 216.5
39 3 5 0 19.84 39.68 0.22 14.7 4 144.3 333.2
40 0 5 1 19.923 39.846 0.221 14.56 4 95.0 143.0
41 5 1 0 20.009 40.018 0.222 14.42 4 56.8 50.7
42 4 1 1 20.092 40.184 0.223 14.29 8 148.7 687.6
43 4 4 0 20.309 40.617 0.225 13.95 4 47.0 33.5
44 1 5 1 20.328 40.656 0.225 13.92 8 126.6 485.7
45 2 6 0 20.702 41.404 0.229 13.37 4 101.9 151.0
46 5 2 0 20.789 41.578 0.23 13.24 4 243.3 853.6
47 4 2 1 20.869 41.739 0.231 13.13 8 128.4 471.4
48 3 4 1 21.179 42.358 0.235 12.7 8 46.8 60.6
49 2 5 1 21.504 43.009 0.238 12.28 8 70.8 133.8
50 5 3 0 22.038 44.077 0.244 11.62 4 86.8 95.2
51 4 3 1 22.115 44.23 0.244 11.53 8 193.2 936.6
52 4 5 0 22.556 45.112 0.249 11.02 4 206.5 511.9
53 3 6 0 22.609 45.218 0.25 10.97 4 196.4 460.5
54 1 7 0 22.771 45.543 0.251 10.79 4 124.1 180.8
55 1 6 1 23.049 46.098 0.254 10.5 8 69.1 109.1
56 3 5 1 23.359 46.717 0.257 10.19 8 78.3 136.0
57 5 1 1 23.507 47.015 0.259 10.04 8 2.5 0.1
58 5 4 0 23.699 47.397 0.261 9.86 4 271.2 789.6
59 4 4 1 23.771 47.542 0.262 9.79 8 69.2 102.1
60 2 7 0 23.851 47.702 0.262 9.72 4 80.3 68.3
61 6 0 0 23.915 47.829 0.263 9.66 2 116.6 71.5
62 2 6 1 24.119 48.238 0.265 9.47 8 142.5 418.6
63 6 1 0 24.143 48.286 0.265 9.45 4 28.1 8.1
64 5 2 1 24.196 48.392 0.266 9.4 8 113.3 263.0
65 0 0 2 24.201 48.402 0.266 9.4 2 522.1 1394.9
66 1 1 2 24.773 49.546 0.272 8.91 8 1.4 0.0
67 6 2 0 24.818 49.637 0.272 8.88 4 28.5 7.9
68 4 6 0 25.085 50.17 0.275 8.66 4 55.8 29.3
69 0 2 2 25.097 50.195 0.275 8.65 4 78.9 58.6
70 5 3 1 25.313 50.626 0.278 8.49 8 218.4 881.5
71 1 2 2 25.436 50.872 0.279 8.39 8 14.9 4.1
72 2 0 2 25.572 51.143 0.28 8.29 4 35.6 11.4
73 3 7 0 25.573 51.146 0.28 8.29 4 36.7 12.1
74 0 7 1 25.641 51.282 0.281 8.24 4 348.9 1092.1
75 5 5 0 25.712 51.424 0.282 8.19 4 55.0 27.0
76 4 5 1 25.78 51.56 0.282 8.14 8 71.1 89.5
77 2 1 2 25.789 51.578 0.282 8.13 8 39.8 28.0
78 0 8 0 25.821 51.641 0.283 8.11 2 25.2 2.8
79 3 6 1 25.828 51.656 0.283 8.11 8 198.7 696.9
80 6 3 0 25.915 51.831 0.284 8.04 4 42.4 15.7
81 1 7 1 25.975 51.95 0.284 8.0 8 202.9 717.5
82 1 8 0 26.153 52.305 0.286 7.88 4 3.3 0.1
83 2 2 2 26.434 52.867 0.289 7.69 8 2.4 0.1
84 1 3 2 26.514 53.029 0.29 7.64 8 106.0 186.7
85 5 4 1 26.819 53.638 0.293 7.44 8 109.6 194.7
86 2 7 1 26.958 53.916 0.294 7.35 8 91.3 133.5
87 6 0 1 27.017 54.033 0.295 7.32 4 256.5 523.8
88 2 8 0 27.132 54.263 0.296 7.25 4 93.1 68.4
89 6 1 1 27.226 54.452 0.297 7.19 8 24.7 9.6
90 6 4 0 27.398 54.796 0.299 7.09 4 36.8 10.5
91 3 1 2 27.422 54.844 0.299 7.07 8 189.4 552.5
92 2 3 2 27.484 54.969 0.3 7.04 8 148.6 338.2
93 0 4 2 27.658 55.317 0.301 6.94 4 131.6 130.8
94 6 2 1 27.847 55.695 0.303 6.83 8 7.8 0.9
95 4 7 0 27.853 55.706 0.303 6.83 4 67.8 34.2
96 1 4 2 27.975 55.95 0.304 6.76 8 136.4 273.9
97 5 6 0 28.029 56.059 0.305 6.73 4 53.2 20.7
98 3 2 2 28.041 56.081 0.305 6.72 8 29.0 12.3
99 4 6 1 28.094 56.187 0.306 6.69 8 46.2 31.1
100 7 1 0 28.428 56.857 0.309 6.52 4 169.5 203.9
101 3 7 1 28.545 57.09 0.31 6.46 8 10.4 1.5
102 5 5 1 28.674 57.348 0.311 6.39 8 92.0 117.7
103 3 8 0 28.712 57.424 0.312 6.37 4 90.4 56.7
104 6 3 1 28.863 57.727 0.313 6.3 8 111.0 169.1
105 2 4 2 28.912 57.824 0.314 6.27 8 178.6 435.5
106 7 2 0 29.033 58.066 0.315 6.21 4 221.5 331.8
107 3 3 2 29.052 58.104 0.315 6.21 8 71.7 69.5
108 1 8 1 29.084 58.168 0.316 6.19 8 29.9 12.1
109 6 5 0 29.229 58.457 0.317 6.12 4 92.0 56.4
110 4 0 2 29.407 58.813 0.319 6.04 4 16.2 1.7
111 4 1 2 29.605 59.21 0.321 5.95 8 14.9 2.9
112 1 9 0 29.646 59.291 0.321 5.93 4 208.7 281.1
113 1 5 2 29.783 59.565 0.322 5.87 8 21.4 5.9
114 2 8 1 29.999 59.997 0.325 5.77 8 137.1 236.2
115 7 3 0 30.023 60.046 0.325 5.76 4 48.8 14.9
116 4 2 2 30.194 60.389 0.326 5.69 8 36.2 16.2
117 6 4 1 30.249 60.497 0.327 5.67 8 127.2 199.7
118 3 4 2 30.432 60.864 0.329 5.59 8 44.2 23.8
119 2 9 0 30.55 61.1 0.33 5.54 4 9.0 0.5
120 5 7 0 30.616 61.231 0.331 5.52 4 29.5 5.2
121 4 7 1 30.676 61.353 0.331 5.49 8 31.8 12.1
122 2 5 2 30.684 61.369 0.331 5.49 8 162.3 314.8
123 4 8 0 30.836 61.672 0.333 5.43 4 231.3 316.3
124 5 6 1 30.843 61.685 0.333 5.43 8 25.1 7.5
125 4 3 2 31.162 62.324 0.336 5.31 8 43.1 21.4
126 7 1 1 31.219 62.438 0.336 5.28 8 117.7 159.5
127 6 6 0 31.374 62.747 0.338 5.23 4 72.6 30.0
128 7 4 0 31.377 62.754 0.338 5.23 4 28.7 4.7
129 3 8 1 31.487 62.974 0.339 5.19 8 45.6 23.5
130 0 6 2 31.613 63.226 0.34 5.14 4 84.3 39.7
131 7 2 1 31.791 63.582 0.342 5.08 8 105.4 122.8
132 1 6 2 31.905 63.81 0.343 5.04 8 89.7 88.3
133 6 5 1 31.977 63.953 0.344 5.01 8 48.3 25.5
134 3 9 0 32.023 64.047 0.344 5.0 4 126.5 87.1
135 0 9 1 32.083 64.165 0.345 4.98 4 80.4 35.0
136 3 5 2 32.154 64.309 0.345 4.95 8 121.7 159.7
137 5 1 2 32.275 64.549 0.347 4.91 8 48.4 25.1
138 1 9 1 32.373 64.745 0.348 4.88 8 16.9 3.0
139 4 4 2 32.489 64.978 0.349 4.84 8 40.5 17.3
140 8 0 0 32.718 65.435 0.351 4.77 2 107.4 29.9
141 7 3 1 32.732 65.463 0.351 4.77 8 5.8 0.3
142 2 6 2 32.773 65.546 0.351 4.75 8 82.1 69.8
143 5 2 2 32.836 65.673 0.352 4.73 8 205.2 434.2
144 8 1 0 32.904 65.808 0.353 4.71 4 107.7 59.5
145 0 10 0 32.987 65.973 0.353 4.69 2 32.8 2.7
146 7 5 0 33.072 66.143 0.354 4.66 4 21.0 2.2
147 2 9 1 33.234 66.468 0.356 4.61 8 5.2 0.3
148 1 10 0 33.272 66.545 0.356 4.6 4 111.1 61.8
149 5 7 1 33.297 66.594 0.356 4.6 8 132.2 174.9
150 5 8 0 33.45 66.899 0.358 4.55 4 117.0 67.8
151 8 2 0 33.46 66.921 0.358 4.55 4 116.1 66.8
152 4 8 1 33.508 67.015 0.358 4.54 8 23.9 5.6
153 5 3 2 33.762 67.523 0.361 4.46 8 69.2 46.6
154 6 7 0 33.807 67.614 0.361 4.45 4 173.6 146.1
155 6 6 1 34.022 68.044 0.363 4.39 8 100.6 96.8
156 7 4 1 34.026 68.051 0.363 4.39 8 129.6 160.5
157 4 9 0 34.027 68.054 0.363 4.39 4 81.0 31.3
158 2 10 0 34.122 68.245 0.364 4.37 4 126.8 76.4
159 4 5 2 34.154 68.308 0.364 4.36 8 171.2 278.2
160 3 6 2 34.194 68.389 0.365 4.35 8 165.5 259.1
161 1 7 2 34.319 68.637 0.366 4.31 8 105.9 105.3
162 8 3 0 34.377 68.755 0.367 4.3 4 178.5 149.1
163 3 9 1 34.646 69.292 0.369 4.23 8 30.9 8.8
164 5 4 2 35.037 70.074 0.373 4.14 8 228.8 471.6
165 7 6 0 35.085 70.17 0.373 4.12 4 117.5 62.0
166 2 7 2 35.156 70.313 0.374 4.11 8 66.0 39.0
167 6 0 2 35.206 70.413 0.374 4.1 4 96.9 41.9
168 8 0 1 35.314 70.628 0.375 4.07 4 1.8 0.0
169 6 1 2 35.387 70.773 0.376 4.05 8 25.7 5.8
170 8 1 1 35.494 70.988 0.377 4.03 8 36.6 11.8
171 3 10 0 35.517 71.035 0.377 4.02 4 110.9 53.9
172 8 4 0 35.642 71.285 0.378 4.0 4 74.5 24.1
173 7 5 1 35.656 71.311 0.378 3.99 8 147.8 190.0
174 1 10 1 35.85 71.699 0.38 3.95 8 65.1 36.5
175 6 2 2 35.924 71.849 0.381 3.94 8 25.8 5.7
176 5 8 1 36.021 72.042 0.382 3.91 8 9.8 0.8
177 8 2 1 36.031 72.062 0.382 3.91 8 9.7 0.8
178 4 6 2 36.139 72.278 0.383 3.89 8 48.1 19.6
179 6 7 1 36.366 72.733 0.385 3.84 8 44.0 16.2
180 6 8 0 36.513 73.027 0.386 3.81 4 68.5 19.5
181 5 9 0 36.524 73.048 0.386 3.81 4 135.3 76.0
182 3 7 2 36.534 73.068 0.386 3.81 8 33.3 9.2
183 4 9 1 36.58 73.16 0.387 3.8 8 55.2 25.2
184 5 5 2 36.647 73.295 0.387 3.79 8 45.9 17.4
185 2 10 1 36.672 73.344 0.388 3.78 8 75.8 47.3
186 0 8 2 36.736 73.472 0.388 3.77 4 20.1 1.7
187 6 3 2 36.814 73.627 0.389 3.76 8 36.5 10.9
188 8 3 1 36.919 73.839 0.39 3.74 8 105.9 91.3
189 1 8 2 37.009 74.017 0.391 3.72 8 0.0 0.0
190 1 11 0 37.063 74.125 0.391 3.71 4 3.7 0.1
191 8 5 0 37.242 74.484 0.393 3.68 4 23.4 2.2
192 7 7 0 37.401 74.801 0.394 3.65 4 101.6 41.0
193 4 10 0 37.433 74.865 0.395 3.64 4 145.4 83.8
194 7 6 1 37.607 75.214 0.396 3.61 8 102.8 83.1
195 9 1 0 37.625 75.251 0.396 3.61 4 52.0 10.6
196 2 8 2 37.822 75.643 0.398 3.57 8 79.0 48.6
197 2 11 0 37.875 75.75 0.399 3.56 4 29.1 3.3
198 3 10 1 38.028 76.056 0.4 3.54 8 179.6 248.7
199 6 4 2 38.045 76.091 0.4 3.54 8 30.4 7.1
200 0 1 3 38.121 76.241 0.401 3.52 4 9.3 0.3
201 8 4 1 38.15 76.3 0.401 3.52 8 76.6 45.0
202 9 2 0 38.151 76.302 0.401 3.52 4 5.1 0.1
203 1 1 3 38.389 76.779 0.403 3.48 8 73.0 40.4
204 4 7 2 38.43 76.86 0.403 3.48 8 61.2 28.3
205 5 6 2 38.58 77.159 0.405 3.45 8 46.4 16.2
206 1 2 3 38.912 77.824 0.408 3.4 8 139.2 143.6
207 7 1 2 38.92 77.841 0.408 3.4 8 147.8 161.8
208 6 8 1 39.0 78.001 0.409 3.39 8 18.4 2.5
209 5 9 1 39.011 78.022 0.409 3.39 8 178.7 235.7
210 2 0 3 39.019 78.039 0.409 3.39 4 5.1 0.1
211 9 3 0 39.022 78.044 0.409 3.39 4 57.7 12.3
212 3 8 2 39.164 78.328 0.41 3.37 8 78.0 44.6
213 8 6 0 39.164 78.329 0.41 3.37 4 45.5 7.6
214 2 1 3 39.193 78.386 0.41 3.36 8 84.7 52.5
215 3 11 0 39.217 78.434 0.41 3.36 4 26.7 2.6
216 0 11 1 39.271 78.543 0.411 3.35 4 265.0 256.1
217 7 2 2 39.441 78.881 0.412 3.33 8 190.5 263.0
218 6 9 0 39.49 78.981 0.413 3.32 4 106.1 40.7
219 0 3 3 39.512 79.023 0.413 3.32 4 4.1 0.1
220 1 11 1 39.538 79.076 0.413 3.31 8 88.6 56.6
221 6 5 2 39.61 79.221 0.414 3.3 8 81.2 47.5
222 2 2 3 39.712 79.424 0.415 3.29 8 147.0 155.0
223 8 5 1 39.714 79.427 0.415 3.29 8 124.0 110.3
224 1 3 3 39.778 79.556 0.415 3.28 8 5.0 0.2
225 5 10 0 39.846 79.693 0.416 3.27 4 33.9 4.1
226 7 7 1 39.869 79.738 0.416 3.27 8 14.5 1.5
227 4 10 1 39.901 79.801 0.416 3.27 8 65.4 30.4
228 1 9 2 39.973 79.947 0.417 3.26 8 180.3 230.7
229 7 8 0 40.012 80.024 0.417 3.25 4 64.3 14.6
230 9 1 1 40.09 80.179 0.418 3.24 8 187.2 247.4
231 9 4 0 40.232 80.464 0.419 3.23 4 60.9 13.0
232 7 3 2 40.304 80.607 0.42 3.22 8 41.9 12.3
233 2 11 1 40.335 80.67 0.42 3.21 8 68.2 32.5
234 3 1 3 40.522 81.044 0.422 3.19 8 171.2 203.8
235 2 3 3 40.574 81.147 0.422 3.19 8 171.8 204.8
236 9 2 1 40.606 81.212 0.422 3.18 8 86.8 52.2
237 2 9 2 40.768 81.537 0.424 3.16 8 9.0 0.6
238 0 12 0 40.793 81.587 0.424 3.16 2 28.1 1.4
239 5 7 2 40.826 81.653 0.424 3.16 8 24.3 4.1
240 1 4 3 40.982 81.965 0.426 3.14 8 87.0 51.7
241 4 8 2 41.022 82.044 0.426 3.14 8 203.0 281.4
242 3 2 3 41.037 82.074 0.426 3.13 8 55.9 21.3
243 1 12 0 41.058 82.115 0.426 3.13 4 83.8 23.9
244 4 11 0 41.075 82.149 0.426 3.13 4 89.4 27.2
245 8 7 0 41.403 82.806 0.429 3.1 4 37.0 4.6
246 9 3 1 41.463 82.927 0.43 3.09 8 14.6 1.4
247 6 6 2 41.502 83.003 0.43 3.09 8 66.8 30.0
248 7 4 2 41.505 83.01 0.43 3.09 8 22.9 3.5
249 8 6 1 41.604 83.208 0.431 3.08 8 77.0 39.7
250 3 11 1 41.656 83.311 0.431 3.07 8 82.1 45.1
251 2 4 3 41.773 83.547 0.432 3.06 8 51.5 17.7
252 9 5 0 41.776 83.551 0.432 3.06 4 53.7 9.6
253 2 12 0 41.848 83.697 0.433 3.05 4 113.5 42.8
254 3 3 3 41.893 83.786 0.433 3.05 8 42.1 11.7
255 6 9 1 41.925 83.851 0.434 3.05 8 23.7 3.7
256 3 9 2 42.086 84.173 0.435 3.03 8 109.6 79.3
257 4 0 3 42.197 84.393 0.436 3.02 4 91.5 27.5
258 0 5 3 42.258 84.517 0.437 3.02 4 75.8 18.8
259 5 10 1 42.277 84.554 0.437 3.01 8 14.0 1.3
260 4 1 3 42.367 84.735 0.437 3.01 8 108.4 76.8
261 7 8 1 42.441 84.881 0.438 3.0 8 9.2 0.6
262 10 0 0 42.503 85.005 0.439 2.99 2 165.9 44.8
263 1 5 3 42.521 85.042 0.439 2.99 8 90.5 53.4
264 9 4 1 42.659 85.317 0.44 2.98 8 25.4 4.2
265 10 1 0 42.673 85.346 0.44 2.98 4 118.9 45.9
266 8 0 2 42.717 85.434 0.44 2.98 4 93.4 28.3
267 6 10 0 42.749 85.497 0.441 2.97 4 113.2 41.5
268 4 2 3 42.879 85.757 0.442 2.96 8 91.9 54.5
269 8 1 2 42.887 85.774 0.442 2.96 8 95.2 58.5
270 7 9 0 42.922 85.845 0.442 2.96 4 60.5 11.8
271 0 10 2 42.963 85.925 0.442 2.96 4 32.0 3.3
272 7 5 2 43.04 86.081 0.443 2.95 8 20.7 2.8
273 3 4 3 43.086 86.173 0.443 2.95 8 39.5 10.0
274 3 12 0 43.161 86.322 0.444 2.94 4 97.1 30.2
275 10 2 0 43.184 86.368 0.444 2.94 4 140.4 63.1
276 1 10 2 43.225 86.45 0.445 2.94 8 101.0 65.3
277 2 5 3 43.308 86.615 0.445 2.93 8 49.0 15.3
278 5 8 2 43.388 86.776 0.446 2.93 8 102.6 67.1
279 8 2 2 43.398 86.795 0.446 2.92 8 102.2 66.5
280 5 11 0 43.44 86.88 0.446 2.92 4 58.9 11.0
281 1 12 1 43.476 86.953 0.447 2.92 8 56.0 19.9
282 4 11 1 43.493 86.987 0.447 2.92 8 39.8 10.1
283 9 6 0 43.65 87.3 0.448 2.91 4 165.7 86.9
284 6 7 2 43.718 87.435 0.449 2.9 8 151.8 145.7
285 4 3 3 43.729 87.459 0.449 2.9 8 144.1 131.2
286 8 7 1 43.819 87.639 0.449 2.9 8 113.8 81.7
287 4 9 2 43.922 87.844 0.45 2.89 8 72.0 32.6
288 8 8 0 43.96 87.92 0.451 2.89 4 67.6 14.4
289 2 10 2 44.01 88.021 0.451 2.88 8 111.4 77.9
290 10 3 0 44.034 88.068 0.451 2.88 4 97.5 29.8
291 9 5 1 44.19 88.379 0.452 2.87 8 165.3 171.0
292 8 3 2 44.248 88.495 0.453 2.87 8 157.5 154.9
293 2 12 1 44.262 88.523 0.453 2.87 8 20.6 2.6
294 1 6 3 44.392 88.784 0.454 2.86 8 51.7 16.7
295 3 5 3 44.616 89.233 0.456 2.85 8 59.5 22.0
296 5 1 3 44.725 89.45 0.457 2.84 8 0.6 0.0
297 7 6 2 44.91 89.82 0.458 2.83 8 103.9 66.5
298 10 0 1 44.913 89.826 0.458 2.83 4 74.5 17.1
299 4 4 3 44.919 89.837 0.458 2.83 8 55.0 18.7
300 4 12 0 44.993 89.986 0.459 2.83 4 26.9 2.2
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 2 0 6.251 12.503 7.074 891.9 33.4 33.8 5.6
2 1 2 0 7.362 14.725 6.01094 93.5 3.5 3.5 5.6
3 2 0 0 7.766 15.532 5.7005 91.6 3.4 3.5 5.6
4 2 1 0 8.377 16.753 5.28744 197.9 7.4 7.5 5.6
5 1 3 0 10.181 20.362 4.35789 1274.1 47.7 48.0 5.6
6 3 1 0 12.115 24.23 3.67023 2591.4 97.1 97.4 5.6
7 2 3 0 12.239 24.477 3.6337 1522.3 57.0 57.2 5.6
8 0 4 0 12.579 25.157 3.537 569.3 21.3 21.4 5.6
9 1 1 1 12.861 25.721 3.46069 809.6 30.3 30.4 5.6
10 1 4 0 13.18 26.361 3.37817 1167.5 43.7 43.8 5.6
11 3 2 0 13.302 26.604 3.34781 44.3 1.7 1.7 5.6
12 1 2 1 13.989 27.978 3.1865 2668.8 100.0 100.0 5.6
13 2 1 1 14.564 29.129 3.06314 958.0 35.9 35.9 5.6
14 2 4 0 14.85 29.7 3.00547 1576.0 59.1 59.0 5.6
15 3 3 0 15.088 30.177 2.95912 256.4 9.6 9.6 5.6
16 2 2 1 15.579 31.158 2.8681 2548.5 95.5 95.2 5.6
17 4 2 0 16.94 33.879 2.64372 38.0 1.4 1.4 5.7
18 3 1 1 17.059 34.118 2.62573 2667.4 99.9 99.4 5.7
19 2 3 1 17.15 34.3 2.61225 2618.1 98.1 97.6 5.7
20 3 4 0 17.308 34.616 2.58913 77.4 2.9 2.9 5.7
21 2 5 0 17.693 35.386 2.53453 844.6 31.6 31.4 5.7
22 1 4 1 17.855 35.709 2.51231 559.3 21.0 20.8 5.7
23 3 2 1 17.947 35.895 2.49975 295.6 11.1 11.0 5.7
24 4 3 0 18.408 36.815 2.43934 52.5 2.0 2.0 5.7
25 0 6 0 19.067 38.133 2.358 81.4 3.0 3.0 5.7
26 2 4 1 19.158 38.316 2.34716 186.1 7.0 6.9 5.7
27 3 3 1 19.349 38.698 2.32488 122.8 4.6 4.6 5.7
28 1 6 0 19.486 38.972 2.30913 191.2 7.2 7.1 5.7
29 3 5 0 19.84 39.68 2.26959 549.7 20.6 20.4 5.7
30 0 5 1 19.923 39.846 2.26047 143.0 5.4 5.3 5.7
31 5 1 0 20.009 40.018 2.25115 50.7 1.9 1.9 5.7
32 4 1 1 20.092 40.184 2.24226 687.6 25.8 25.5 5.7
33 1 5 1 20.328 40.656 2.21731 519.2 19.5 19.2 5.7
34 2 6 0 20.702 41.404 2.17894 151.0 5.7 5.6 5.7
35 5 2 0 20.789 41.578 2.17024 853.6 32.0 31.6 5.7
36 4 2 1 20.869 41.739 2.16227 471.4 17.7 17.4 5.7
37 3 4 1 21.179 42.358 2.13209 60.6 2.3 2.2 5.7
38 2 5 1 21.504 43.009 2.10129 133.8 5.0 4.9 5.7
39 5 3 0 22.038 44.077 2.05284 95.2 3.6 3.5 5.7
40 4 3 1 22.115 44.23 2.04609 936.6 35.1 34.6 5.7
41 4 5 0 22.556 45.112 2.00809 511.9 19.2 18.9 5.7
42 3 6 0 22.609 45.218 2.00365 460.5 17.3 17.0 5.7
43 1 7 0 22.771 45.543 1.99011 180.8 6.8 6.7 5.7
44 1 6 1 23.049 46.098 1.9674 109.1 4.1 4.0 5.7
45 3 5 1 23.359 46.717 1.94277 136.0 5.1 5.0 5.7
46 5 4 0 23.699 47.397 1.91647 789.6 29.6 29.0 5.7
47 4 4 1 23.771 47.542 1.91098 102.1 3.8 3.8 5.7
48 2 7 0 23.851 47.702 1.90495 68.3 2.6 2.5 5.7
49 6 0 0 23.915 47.829 1.90017 71.5 2.7 2.6 5.7
50 2 6 1 24.119 48.238 1.88501 426.8 16.0 15.7 5.7
51 0 0 2 24.201 48.402 1.879 1657.8 62.1 60.9 5.7
52 0 2 2 25.097 50.195 1.81603 87.9 3.3 3.2 5.7
53 5 3 1 25.313 50.626 1.80157 881.5 33.0 32.3 5.8
54 0 7 1 25.641 51.282 1.78003 1092.1 40.9 40.0 5.8
55 5 5 0 25.712 51.424 1.77547 27.0 1.0 1.0 5.8
56 4 5 1 25.78 51.56 1.7711 117.6 4.4 4.3 5.8
57 3 6 1 25.828 51.656 1.76804 699.7 26.2 25.6 5.8
58 1 7 1 25.975 51.95 1.75872 717.5 26.9 26.2 5.8
59 1 3 2 26.514 53.029 1.72544 186.7 7.0 6.8 5.8
60 5 4 1 26.819 53.638 1.70728 194.7 7.3 7.1 5.8
61 2 7 1 26.958 53.916 1.69912 133.5 5.0 4.9 5.8
62 6 0 1 27.017 54.033 1.69572 523.8 19.6 19.1 5.8
63 2 8 0 27.132 54.263 1.68908 68.4 2.6 2.5 5.8
64 3 1 2 27.422 54.844 1.67255 562.9 21.1 20.5 5.8
65 2 3 2 27.484 54.969 1.66905 338.2 12.7 12.3 5.8
66 0 4 2 27.658 55.317 1.65938 130.8 4.9 4.8 5.8
67 4 7 0 27.853 55.706 1.6487 34.2 1.3 1.2 5.8
68 1 4 2 27.975 55.95 1.64208 273.9 10.3 10.0 5.8
69 5 6 0 28.029 56.059 1.63916 33.1 1.2 1.2 5.8
70 4 6 1 28.094 56.187 1.63572 31.1 1.2 1.1 5.8
71 7 1 0 28.428 56.857 1.61803 203.9 7.6 7.4 5.8
72 5 5 1 28.674 57.348 1.60532 117.7 4.4 4.3 5.8
73 3 8 0 28.712 57.424 1.60339 56.7 2.1 2.1 5.8
74 6 3 1 28.863 57.727 1.5957 169.1 6.3 6.1 5.8
75 2 4 2 28.912 57.824 1.59325 435.5 16.3 15.8 5.8
76 7 2 0 29.033 58.066 1.58719 401.3 15.0 14.6 5.8
77 6 5 0 29.229 58.457 1.57748 56.4 2.1 2.0 5.8
78 1 9 0 29.646 59.291 1.55727 281.1 10.5 10.2 5.8
79 2 8 1 29.999 59.997 1.54062 251.1 9.4 9.1 5.8
80 6 4 1 30.249 60.497 1.52908 199.7 7.5 7.2 5.8
81 2 5 2 30.684 61.369 1.50944 326.9 12.2 11.8 5.8
82 4 8 0 30.836 61.672 1.50274 323.7 12.1 11.7 5.8
83 7 1 1 31.219 62.438 1.48613 159.5 6.0 5.7 5.8
84 6 6 0 31.374 62.747 1.47956 34.6 1.3 1.2 5.9
85 0 6 2 31.613 63.226 1.4695 39.7 1.5 1.4 5.9
86 7 2 1 31.791 63.582 1.46213 122.8 4.6 4.4 5.9
87 1 6 2 31.905 63.81 1.45744 88.3 3.3 3.2 5.9
88 3 9 0 32.023 64.047 1.45263 87.1 3.3 3.1 5.9
89 0 9 1 32.083 64.165 1.45023 35.0 1.3 1.3 5.9
90 3 5 2 32.154 64.309 1.44734 159.7 6.0 5.7 5.9
91 8 0 0 32.718 65.435 1.42513 30.3 1.1 1.1 5.9
92 2 6 2 32.773 65.546 1.42298 69.8 2.6 2.5 5.9
93 5 2 2 32.836 65.673 1.42055 434.2 16.3 15.6 5.9
94 8 1 0 32.904 65.808 1.41795 59.5 2.2 2.1 5.9
95 5 7 1 33.297 66.594 1.40312 236.8 8.9 8.5 5.9
96 5 8 0 33.45 66.899 1.39745 134.6 5.0 4.8 5.9
97 5 3 2 33.762 67.523 1.38604 46.6 1.7 1.7 5.9
98 6 7 0 33.807 67.614 1.38441 146.1 5.5 5.2 5.9
99 7 4 1 34.026 68.051 1.37658 288.6 10.8 10.3 5.9
100 2 10 0 34.122 68.245 1.37314 76.4 2.9 2.7 5.9
101 4 5 2 34.154 68.308 1.37202 278.2 10.4 9.9 5.9
102 3 6 2 34.194 68.389 1.3706 259.1 9.7 9.2 5.9
103 1 7 2 34.319 68.637 1.36625 105.3 3.9 3.8 5.9
104 8 3 0 34.377 68.755 1.3642 149.1 5.6 5.3 5.9
105 5 4 2 35.037 70.074 1.34171 471.6 17.7 16.8 5.9
106 7 6 0 35.085 70.17 1.34011 62.0 2.3 2.2 5.9
107 2 7 2 35.156 70.313 1.33773 39.0 1.5 1.4 5.9
108 6 0 2 35.206 70.413 1.33607 41.9 1.6 1.5 5.9
109 3 10 0 35.517 71.035 1.3259 65.7 2.5 2.3 5.9
110 7 5 1 35.656 71.311 1.32143 214.1 8.0 7.6 5.9
111 1 10 1 35.85 71.699 1.31523 36.5 1.4 1.3 5.9
112 5 9 0 36.524 73.048 1.29424 104.7 3.9 3.7 6.0
113 2 10 1 36.672 73.344 1.28974 64.6 2.4 2.3 6.0
114 8 3 1 36.919 73.839 1.28232 91.3 3.4 3.2 6.0
115 7 7 0 37.401 74.801 1.26819 41.0 1.5 1.4 6.0
116 4 10 0 37.433 74.865 1.26727 83.8 3.1 3.0 6.0
117 7 6 1 37.607 75.214 1.26226 93.7 3.5 3.3 6.0
118 2 8 2 37.822 75.643 1.25616 48.6 1.8 1.7 6.0
119 3 10 1 38.028 76.056 1.25036 255.8 9.6 9.0 6.0
120 8 4 1 38.15 76.3 1.24697 45.1 1.7 1.6 6.0
121 1 1 3 38.389 76.779 1.24038 40.4 1.5 1.4 6.0
122 4 7 2 38.43 76.86 1.23928 28.3 1.1 1.0 6.0
123 7 1 2 38.92 77.841 1.22609 305.4 11.4 10.7 6.0
124 9 3 0 39.022 78.044 1.22341 250.5 9.4 8.8 6.0
125 2 1 3 39.193 78.386 1.21893 107.3 4.0 3.8 6.0
126 0 11 1 39.271 78.543 1.21688 256.1 9.6 9.0 6.0
127 7 2 2 39.441 78.881 1.21251 263.0 9.9 9.2 6.0
128 6 9 0 39.49 78.981 1.21123 40.7 1.5 1.4 6.0
129 1 11 1 39.538 79.076 1.21001 56.6 2.1 2.0 6.0
130 6 5 2 39.61 79.221 1.20816 47.5 1.8 1.7 6.0
131 2 2 3 39.712 79.424 1.20558 265.2 9.9 9.3 6.0
132 4 10 1 39.901 79.801 1.20083 30.4 1.1 1.1 6.0
133 1 9 2 39.973 79.947 1.19901 230.7 8.6 8.0 6.0
134 9 1 1 40.09 80.179 1.19611 247.4 9.3 8.6 6.0
135 2 11 1 40.335 80.67 1.19007 32.5 1.2 1.1 6.1
136 3 1 3 40.522 81.044 1.18552 203.8 7.6 7.1 6.1
137 2 3 3 40.574 81.147 1.18427 204.8 7.7 7.1 6.1
138 9 2 1 40.606 81.212 1.18349 52.2 2.0 1.8 6.1
139 1 4 3 40.982 81.965 1.17452 51.7 1.9 1.8 6.1
140 4 8 2 41.022 82.044 1.17358 302.7 11.3 10.5 6.1
141 4 11 0 41.075 82.149 1.17235 51.2 1.9 1.8 6.1
142 6 6 2 41.502 83.003 1.16244 33.5 1.3 1.2 6.1
143 8 6 1 41.604 83.208 1.1601 39.7 1.5 1.4 6.1
144 3 11 1 41.656 83.311 1.15892 45.1 1.7 1.6 6.1
145 2 4 3 41.773 83.547 1.15625 27.3 1.0 0.9 6.1
146 2 12 0 41.848 83.697 1.15456 42.8 1.6 1.5 6.1
147 3 9 2 42.086 84.173 1.14924 79.3 3.0 2.7 6.1
148 4 0 3 42.197 84.393 1.1468 27.5 1.0 1.0 6.1
149 4 1 3 42.367 84.735 1.14305 76.8 2.9 2.6 6.1
150 1 5 3 42.521 85.042 1.1397 98.2 3.7 3.4 6.1
151 10 1 0 42.673 85.346 1.13642 50.1 1.9 1.7 6.1
152 8 0 2 42.717 85.434 1.13548 28.3 1.1 1.0 6.1
153 6 10 0 42.749 85.497 1.13479 41.5 1.6 1.4 6.1
154 8 1 2 42.887 85.774 1.13184 113.0 4.2 3.9 6.1
155 10 2 0 43.184 86.368 1.12558 93.3 3.5 3.2 6.1
156 1 10 2 43.225 86.45 1.12472 65.3 2.4 2.2 6.1
157 5 8 2 43.388 86.776 1.12133 133.6 5.0 4.6 6.1
158 1 12 1 43.476 86.953 1.1195 30.0 1.1 1.0 6.1
159 9 6 0 43.65 87.3 1.11594 86.9 3.3 3.0 6.2
160 6 7 2 43.718 87.435 1.11456 276.8 10.4 9.5 6.2
161 8 7 1 43.819 87.639 1.1125 81.7 3.1 2.8 6.2
162 4 9 2 43.922 87.844 1.11043 32.6 1.2 1.1 6.2
163 2 10 2 44.01 88.021 1.10865 107.7 4.0 3.7 6.2
164 9 5 1 44.19 88.379 1.10508 171.0 6.4 5.8 6.2
165 8 3 2 44.248 88.495 1.10393 157.5 5.9 5.4 6.2
166 7 6 2 44.91 89.82 1.09105 102.3 3.8 3.5 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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