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
1, t-berthierite, g-berthierite
FeSb(2)S(4)
Orthorhombic P nam Z = 4
Pnam
23 .3 .1989
Ref.Str.:
1. M.J.Buerger, T.Hahn (1954)
* Amer. Mineral., 39, 319
2. Idem (1955)
* Ibid., 40, 226-238
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.44 alpha = 90.0
b = 14.12 beta = 90.0
c = 3.76 gamma = 90.0
Unit cell volume (cub. angs.) = 607.36
Molar volume ( cub.cm/mol.) = 91.46
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.316 0.334 0.25 0.0 Fe = 1.00
2 0.145 0.062 0.25 0.0 Sb = 1.00
3 0.037 0.386 0.75 0.0 Sb = 1.00
4 0.195 0.272 0.75 0.0 S = 1.00
5 0.424 0.184 0.25 0.0 S = 1.00
6 0.226 0.492 0.25 0.0 S = 1.00
7 0.451 0.405 0.75 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.316 0.334 0.25
2 2 0.145 0.062 0.25
3 3 0.037 0.386 0.75
4 4 0.195 0.272 0.75
5 5 0.424 0.184 0.25
6 6 0.226 0.492 0.25
7 7 0.451 0.405 0.75
8 1 0.684 0.666 0.75
9 2 0.855 0.938 0.75
10 3 0.963 0.614 0.25
11 4 0.805 0.728 0.25
12 5 0.576 0.816 0.75
13 6 0.774 0.508 0.75
14 7 0.549 0.595 0.25
15 1 0.816 0.166 0.25
16 2 0.645 0.438 0.25
17 3 0.537 0.114 0.75
18 4 0.695 0.228 0.75
19 5 0.924 0.316 0.25
20 6 0.726 0.008 0.25
21 7 0.951 0.095 0.75
22 1 0.184 0.834 0.75
23 2 0.355 0.562 0.75
24 3 0.463 0.886 0.25
25 4 0.305 0.772 0.25
26 5 0.076 0.684 0.75
27 6 0.274 0.992 0.75
28 7 0.049 0.905 0.25
X-ray density (g/cm cub.) = 4.67
MU (1/cm) = 1031.723 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
2.4934 4
2.4934 4
2.452 5
2.4571 6
2.6315 7
2.6315 7
2 Sb 3.264 5
2.9457 7
2.9457 7
2.5863 6
2.5863 6
2.474 7
3 Sb 3.264 5
2.4204 4
3.2326 6
3.2326 6
2.4865 5
2.4865 5
4 S 4.368 11
3.76 4
3.76 4
3.4556 5
3.4556 5
3.6483 6
3.6483 6
3.479 7
3.6786 5
3.6786 5
3.7467 7
4.0556 6
5 S 4.368 11
3.4556 4
3.4556 4
3.76 5
3.76 5
3.6562 7
3.6562 7
3.6786 4
3.6786 4
4.2558 6
3.7187 6
3.7187 6
6 S 4.368 11
3.6483 4
3.6483 4
3.76 6
3.76 6
3.416 7
3.416 7
3.971 7
4.2558 5
4.0556 4
3.7187 5
3.7187 5
7 S 4.368 11
3.479 4
3.6562 5
3.6562 5
3.416 6
3.416 6
3.76 7
3.76 7
3.971 6
3.4625 7
3.4625 7
3.7467 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 4.971 9.943 0.056 263.35 4 1.2 0.4
2 0 2 0 6.264 12.527 0.071 165.05 2 102.1 933.7
3 1 2 0 7.366 14.732 0.083 118.72 4 29.0 107.9
4 2 0 0 7.739 15.478 0.087 107.34 2 41.4 99.5
5 2 1 0 8.354 16.709 0.094 91.8 4 42.4 179.2
6 2 2 0 9.981 19.961 0.113 63.67 4 2.6 0.5
7 1 3 0 10.193 20.386 0.115 60.95 4 141.7 1326.4
8 3 1 0 12.077 24.155 0.136 42.81 4 242.5 2730.5
9 2 3 0 12.236 24.472 0.138 41.65 4 180.6 1473.2
10 0 1 1 12.24 24.479 0.138 41.63 4 7.5 2.6
11 0 4 0 12.604 25.208 0.142 39.14 2 158.3 531.6
12 1 1 1 12.852 25.704 0.144 37.56 8 99.2 802.3
13 1 4 0 13.201 26.401 0.148 35.5 4 173.9 1164.6
14 3 2 0 13.272 26.545 0.149 35.09 4 28.2 30.3
15 1 2 1 13.985 27.971 0.157 31.41 8 196.4 2626.5
16 2 0 1 14.191 28.382 0.159 30.45 4 0.6 0.0
17 2 1 1 14.546 29.092 0.163 28.88 8 125.2 981.2
18 2 4 0 14.858 29.715 0.166 27.6 4 230.8 1595.0
19 3 3 0 15.068 30.137 0.169 26.78 4 90.3 236.6
20 0 3 1 15.201 30.402 0.17 26.28 4 3.7 0.4
21 2 2 1 15.566 31.131 0.174 24.98 8 216.5 2539.9
22 4 0 0 15.624 31.249 0.175 24.78 2 4.9 0.3
23 1 3 1 15.707 31.413 0.176 24.5 8 13.2 9.3
24 4 1 0 15.95 31.9 0.178 23.7 4 10.1 2.6
25 1 5 0 16.317 32.634 0.182 22.56 4 25.3 15.7
26 4 2 0 16.893 33.786 0.189 20.93 4 39.9 36.1
27 3 1 1 17.027 34.054 0.19 20.57 8 241.8 2608.3
28 2 3 1 17.143 34.287 0.191 20.27 8 247.6 2693.9
29 3 4 0 17.299 34.597 0.193 19.87 4 60.1 77.8
30 2 5 0 17.71 35.419 0.197 18.88 4 205.3 862.8
31 1 4 1 17.866 35.731 0.199 18.52 8 118.2 561.5
32 3 2 1 17.92 35.84 0.2 18.4 8 83.0 274.7
33 4 3 0 18.37 36.74 0.205 17.42 4 46.7 41.3
34 0 6 0 19.106 38.212 0.212 15.98 2 93.9 76.4
35 2 4 1 19.16 38.32 0.213 15.88 8 72.3 180.0
36 3 3 1 19.329 38.658 0.215 15.57 8 55.6 104.6
37 1 6 0 19.522 39.044 0.217 15.23 4 100.2 165.8
38 4 0 1 19.779 39.557 0.22 14.8 4 112.2 202.0
39 3 5 0 19.841 39.682 0.22 14.69 4 141.1 317.0
40 5 1 0 19.941 39.882 0.221 14.53 4 59.8 56.4
41 0 5 1 19.946 39.891 0.221 14.52 4 99.6 156.3
42 4 1 1 20.045 40.09 0.222 14.36 8 147.6 678.8
43 4 4 0 20.281 40.563 0.225 13.99 4 56.2 48.0
44 1 5 1 20.347 40.694 0.226 13.89 8 121.3 443.2
45 5 2 0 20.726 41.452 0.23 13.33 4 239.6 829.9
46 2 6 0 20.728 41.456 0.23 13.33 4 106.5 164.0
47 4 2 1 20.827 41.653 0.231 13.19 8 128.3 470.6
48 3 4 1 21.167 42.334 0.234 12.72 8 40.8 46.0
49 2 5 1 21.515 43.03 0.238 12.26 8 62.8 104.8
50 5 3 0 21.983 43.966 0.243 11.68 4 78.2 77.5
51 4 3 1 22.079 44.158 0.244 11.57 8 196.7 970.9
52 4 5 0 22.54 45.079 0.249 11.04 4 204.6 501.4
53 3 6 0 22.621 45.241 0.25 10.95 4 197.1 461.5
54 1 7 0 22.815 45.63 0.252 10.74 4 119.6 166.5
55 1 6 1 23.077 46.154 0.254 10.47 8 65.4 97.2
56 3 5 1 23.356 46.712 0.257 10.19 8 73.2 118.3
57 5 1 1 23.444 46.888 0.258 10.1 8 2.4 0.1
58 5 4 0 23.653 47.306 0.26 9.9 4 277.0 823.9
59 4 4 1 23.744 47.487 0.261 9.82 8 66.4 93.8
60 6 0 0 23.828 47.656 0.262 9.74 2 126.6 84.6
61 2 7 0 23.886 47.772 0.263 9.68 4 70.2 51.8
62 6 1 0 24.058 48.116 0.265 9.53 4 24.2 6.1
63 5 2 1 24.137 48.274 0.265 9.46 8 121.5 302.6
64 2 6 1 24.139 48.277 0.265 9.45 8 140.5 404.7
65 0 0 2 24.187 48.375 0.266 9.41 2 522.6 1393.8
66 6 2 0 24.738 49.476 0.272 8.94 4 28.3 7.8
67 1 1 2 24.758 49.516 0.272 8.93 8 1.9 0.1
68 4 6 0 25.08 50.159 0.275 8.67 4 51.6 25.0
69 0 2 2 25.087 50.175 0.275 8.66 4 80.9 61.5
70 5 3 1 25.26 50.52 0.277 8.53 8 220.6 899.7
71 1 2 2 25.424 50.848 0.279 8.4 8 16.2 4.8
72 2 0 2 25.549 51.098 0.28 8.31 4 36.7 12.2
73 3 7 0 25.595 51.189 0.28 8.28 4 34.2 10.5
74 5 5 0 25.676 51.353 0.281 8.22 4 61.3 33.5
75 0 7 1 25.68 51.36 0.281 8.21 4 358.4 1144.0
76 4 5 1 25.762 51.524 0.282 8.15 8 69.5 85.5
77 2 1 2 25.768 51.535 0.282 8.15 8 38.0 25.5
78 3 6 1 25.835 51.67 0.283 8.1 8 208.3 761.9
79 6 3 0 25.841 51.683 0.283 8.1 4 37.6 12.4
80 0 8 0 25.876 51.751 0.283 8.07 2 34.7 5.3
81 1 7 1 26.011 52.023 0.285 7.98 8 201.2 700.2
82 1 8 0 26.205 52.41 0.287 7.84 4 0.4 0.0
83 2 2 2 26.415 52.83 0.289 7.7 8 2.2 0.1
84 1 3 2 26.507 53.014 0.29 7.64 8 108.4 194.7
85 5 4 1 26.774 53.548 0.292 7.47 8 108.0 189.0
86 6 0 1 26.934 53.868 0.294 7.37 4 259.6 538.4
87 2 7 1 26.987 53.974 0.295 7.33 8 89.5 127.4
88 6 1 1 27.145 54.289 0.296 7.24 8 17.2 4.7
89 2 8 0 27.176 54.352 0.296 7.22 4 97.4 74.2
90 6 4 0 27.333 54.666 0.298 7.13 4 45.0 15.6
91 3 1 2 27.391 54.781 0.299 7.09 8 194.1 579.3
92 2 3 2 27.471 54.941 0.299 7.04 8 146.6 328.5
93 0 4 2 27.659 55.318 0.301 6.94 4 127.8 122.9
94 6 2 1 27.77 55.54 0.302 6.87 8 7.6 0.9
95 4 7 0 27.859 55.717 0.303 6.82 4 72.3 38.7
96 1 4 2 27.974 55.947 0.304 6.76 8 136.9 274.8
97 5 6 0 28.005 56.01 0.305 6.74 4 44.8 14.7
98 3 2 2 28.012 56.024 0.305 6.74 8 24.6 8.8
99 4 6 1 28.085 56.171 0.306 6.7 8 49.2 35.2
100 7 1 0 28.325 56.65 0.308 6.57 4 160.3 183.1
101 3 7 1 28.562 57.125 0.31 6.45 8 9.4 1.2
102 5 5 1 28.638 57.277 0.311 6.41 8 94.6 124.3
103 3 8 0 28.744 57.488 0.312 6.36 4 97.4 65.3
104 6 3 1 28.792 57.583 0.313 6.33 8 101.5 141.6
105 2 4 2 28.904 57.808 0.314 6.28 8 180.3 442.8
106 7 2 0 28.933 57.866 0.314 6.26 4 218.7 324.7
107 3 3 2 29.028 58.057 0.315 6.22 8 68.9 64.1
108 1 8 1 29.13 58.26 0.316 6.17 8 30.8 12.7
109 6 5 0 29.173 58.346 0.316 6.15 4 87.6 51.2
110 4 0 2 29.361 58.723 0.318 6.06 4 6.7 0.3
111 4 1 2 29.561 59.121 0.32 5.97 8 11.7 1.8
112 1 9 0 29.707 59.414 0.322 5.9 4 211.1 285.2
113 1 5 2 29.788 59.576 0.322 5.87 8 25.6 8.3
114 7 3 0 29.929 59.858 0.324 5.8 4 55.3 19.2
115 2 8 1 30.037 60.075 0.325 5.76 8 133.1 221.1
116 4 2 2 30.153 60.306 0.326 5.71 8 35.4 15.5
117 6 4 1 30.185 60.369 0.326 5.69 8 122.4 185.1
118 3 4 2 30.415 60.829 0.329 5.6 8 44.5 24.1
119 5 7 0 30.603 61.205 0.33 5.52 4 29.9 5.4
120 2 9 0 30.604 61.208 0.33 5.52 4 14.3 1.2
121 4 7 1 30.679 61.358 0.331 5.49 8 37.6 16.9
122 2 5 2 30.684 61.368 0.331 5.49 8 164.8 323.4
123 5 6 1 30.817 61.633 0.333 5.44 8 30.3 10.8
124 4 8 0 30.853 61.706 0.333 5.42 4 231.2 314.5
125 7 1 1 31.118 62.237 0.335 5.32 8 126.9 186.0
126 4 3 2 31.125 62.25 0.336 5.32 8 38.3 16.9
127 7 4 0 31.291 62.582 0.337 5.26 4 28.9 4.8
128 6 6 0 31.329 62.657 0.338 5.24 4 77.6 34.2
129 3 8 1 31.515 63.029 0.339 5.18 8 51.4 29.6
130 0 6 2 31.629 63.257 0.34 5.14 4 82.2 37.6
131 7 2 1 31.694 63.387 0.341 5.11 8 114.0 144.2
132 1 6 2 31.919 63.838 0.343 5.03 8 84.3 77.6
133 6 5 1 31.921 63.842 0.343 5.03 8 53.6 31.4
134 3 9 0 32.066 64.133 0.345 4.98 4 125.8 85.5
135 0 9 1 32.141 64.281 0.345 4.96 4 63.8 21.9
136 3 5 2 32.144 64.288 0.345 4.96 8 119.2 152.7
137 5 1 2 32.215 64.43 0.346 4.93 8 51.0 27.8
138 1 9 1 32.428 64.856 0.348 4.86 8 17.6 3.3
139 4 4 2 32.458 64.916 0.348 4.85 8 48.2 24.5
140 8 0 0 32.592 65.185 0.35 4.81 2 97.3 24.7
141 7 3 1 32.639 65.279 0.35 4.8 8 5.0 0.3
142 5 2 2 32.779 65.558 0.351 4.75 8 202.2 421.2
143 8 1 0 32.78 65.56 0.351 4.75 4 109.3 61.6
144 2 6 2 32.781 65.562 0.351 4.75 8 86.1 76.4
145 7 5 0 32.995 65.989 0.353 4.69 4 31.7 5.1
146 0 10 0 33.06 66.121 0.354 4.67 2 33.5 2.8
147 5 7 1 33.282 66.563 0.356 4.6 8 124.8 155.4
148 2 9 1 33.283 66.566 0.356 4.6 8 9.0 0.8
149 8 2 0 33.339 66.679 0.357 4.58 4 123.0 75.3
150 1 10 0 33.344 66.688 0.357 4.58 4 108.8 58.9
151 5 8 0 33.448 66.896 0.358 4.55 4 107.0 56.5
152 4 8 1 33.521 67.042 0.358 4.53 8 20.8 4.3
153 5 3 2 33.709 67.418 0.36 4.48 8 62.1 37.4
154 6 7 0 33.773 67.546 0.361 4.46 4 176.5 150.8
155 7 4 1 33.94 67.881 0.362 4.41 8 134.9 174.3
156 6 6 1 33.976 67.953 0.363 4.41 8 91.5 80.0
157 4 9 0 34.055 68.11 0.363 4.38 4 74.1 26.1
158 4 5 2 34.13 68.261 0.364 4.36 8 169.8 272.9
159 2 10 0 34.187 68.375 0.365 4.35 4 129.9 79.6
160 3 6 2 34.192 68.384 0.365 4.35 8 166.1 260.2
161 8 3 0 34.261 68.523 0.365 4.33 4 181.6 154.8
162 1 7 2 34.341 68.682 0.366 4.31 8 102.1 97.4
163 3 9 1 34.684 69.369 0.369 4.22 8 25.1 5.8
164 5 4 2 34.99 69.98 0.372 4.15 8 233.9 491.9
165 7 6 0 35.018 70.036 0.372 4.14 4 120.2 64.9
166 6 0 2 35.128 70.255 0.373 4.11 4 105.5 49.7
167 2 7 2 35.173 70.346 0.374 4.1 8 57.5 29.4
168 8 0 1 35.191 70.381 0.374 4.1 4 0.6 0.0
169 6 1 2 35.309 70.617 0.375 4.07 8 22.5 4.5
170 8 1 1 35.371 70.743 0.376 4.06 8 26.1 6.0
171 8 4 0 35.533 71.067 0.377 4.02 4 69.1 20.8
172 3 10 0 35.572 71.143 0.378 4.01 4 99.7 43.2
173 7 5 1 35.579 71.157 0.378 4.01 8 144.9 182.6
174 6 2 2 35.849 71.698 0.38 3.95 8 25.7 5.6
175 8 2 1 35.912 71.823 0.381 3.94 8 13.9 1.6
176 1 10 1 35.916 71.832 0.381 3.94 8 67.2 38.6
177 5 8 1 36.017 72.034 0.382 3.92 8 18.9 3.0
178 4 6 2 36.124 72.247 0.383 3.89 8 44.5 16.7
179 6 7 1 36.331 72.663 0.385 3.85 8 53.9 24.3
180 6 8 0 36.491 72.983 0.386 3.82 4 67.1 18.7
181 5 9 0 36.535 73.069 0.386 3.81 4 141.3 82.5
182 3 7 2 36.541 73.082 0.386 3.81 8 31.0 8.0
183 4 9 1 36.605 73.209 0.387 3.8 8 54.6 24.5
184 5 5 2 36.608 73.215 0.387 3.8 8 51.2 21.6
185 2 10 1 36.732 73.465 0.388 3.77 8 86.2 60.8
186 6 3 2 36.743 73.485 0.388 3.77 8 32.4 8.6
187 0 8 2 36.77 73.541 0.389 3.76 4 28.2 3.3
188 8 3 1 36.804 73.609 0.389 3.76 8 97.3 77.1
189 1 8 2 37.041 74.082 0.391 3.71 8 3.1 0.1
190 8 5 0 37.141 74.282 0.392 3.69 4 24.2 2.3
191 1 11 0 37.146 74.291 0.392 3.69 4 10.5 0.4
192 7 7 0 37.344 74.689 0.394 3.66 4 106.1 44.6
193 4 10 0 37.473 74.946 0.395 3.63 4 155.2 95.0
194 9 1 0 37.477 74.954 0.395 3.63 4 59.3 13.8
195 7 6 1 37.539 75.078 0.396 3.62 8 99.2 77.3
196 2 8 2 37.848 75.696 0.398 3.57 8 82.7 52.9
197 2 11 0 37.952 75.904 0.399 3.55 4 24.7 2.4
198 6 4 2 37.98 75.96 0.399 3.55 8 37.6 10.9
199 9 2 0 38.005 76.01 0.4 3.54 4 12.2 0.6
200 8 4 1 38.041 76.082 0.4 3.54 8 82.0 51.6
201 3 10 1 38.078 76.157 0.4 3.53 8 178.9 245.0
202 0 1 3 38.097 76.195 0.401 3.53 4 8.9 0.3
203 1 1 3 38.365 76.729 0.403 3.49 8 72.9 40.2
204 4 7 2 38.424 76.848 0.403 3.48 8 65.3 32.1
205 5 6 2 38.548 77.097 0.405 3.46 8 39.2 11.5
206 7 1 2 38.821 77.643 0.407 3.42 8 139.9 145.0
207 9 3 0 38.881 77.761 0.407 3.41 4 57.8 12.3
208 1 2 3 38.889 77.778 0.408 3.41 8 138.6 142.0
209 6 8 1 38.976 77.953 0.408 3.39 8 22.7 3.8
210 2 0 3 38.989 77.977 0.408 3.39 4 6.9 0.2
211 5 9 1 39.019 78.037 0.409 3.39 8 178.0 232.6
212 8 6 0 39.073 78.146 0.409 3.38 4 46.1 7.8
213 2 1 3 39.163 78.326 0.41 3.37 8 85.9 53.8
214 3 8 2 39.181 78.362 0.41 3.36 8 84.2 51.7
215 3 11 0 39.284 78.568 0.411 3.35 4 24.9 2.2
216 7 2 2 39.344 78.688 0.412 3.34 8 188.1 256.5
217 0 11 1 39.352 78.704 0.412 3.34 4 259.5 243.9
218 6 9 0 39.481 78.961 0.413 3.32 4 101.5 37.1
219 0 3 3 39.494 78.989 0.413 3.32 4 3.1 0.0
220 6 5 2 39.552 79.104 0.413 3.31 8 77.5 43.2
221 8 5 1 39.612 79.224 0.414 3.3 8 130.2 121.4
222 1 11 1 39.617 79.233 0.414 3.3 8 94.3 63.8
223 2 2 3 39.684 79.368 0.414 3.3 8 147.2 154.9
224 1 3 3 39.759 79.517 0.415 3.29 8 7.3 0.4
225 7 7 1 39.812 79.623 0.416 3.28 8 17.3 2.1
226 5 10 0 39.87 79.739 0.416 3.27 4 38.9 5.4
227 4 10 1 39.938 79.875 0.417 3.26 8 54.8 21.2
228 9 1 1 39.941 79.883 0.417 3.26 8 189.2 253.1
229 7 8 0 39.967 79.934 0.417 3.26 4 74.0 19.4
230 1 9 2 40.017 80.033 0.417 3.25 8 182.6 235.3
231 9 4 0 40.097 80.193 0.418 3.24 4 51.9 9.5
232 7 3 2 40.211 80.422 0.419 3.23 8 47.4 15.8
233 2 11 1 40.408 80.816 0.421 3.21 8 71.7 35.7
234 9 2 1 40.46 80.92 0.421 3.2 8 76.0 40.1
235 3 1 3 40.483 80.966 0.421 3.2 8 169.4 199.0
236 2 3 3 40.549 81.099 0.422 3.19 8 174.9 211.5
237 5 7 2 40.804 81.609 0.424 3.16 8 24.8 4.2
238 2 9 2 40.806 81.612 0.424 3.16 8 13.4 1.2
239 0 12 0 40.892 81.783 0.425 3.15 2 16.6 0.5
240 1 4 3 40.968 81.936 0.426 3.14 8 87.6 52.2
241 3 2 3 41.0 82.001 0.426 3.14 8 53.7 19.7
242 4 8 2 41.027 82.053 0.426 3.14 8 203.1 280.6
243 4 11 0 41.128 82.256 0.427 3.12 4 82.2 22.9
244 1 12 0 41.154 82.308 0.427 3.12 4 91.9 28.6
245 8 7 0 41.321 82.643 0.429 3.1 4 41.7 5.9
246 9 3 1 41.322 82.643 0.429 3.1 8 21.3 3.0
247 7 4 2 41.417 82.835 0.429 3.09 8 23.0 3.6
248 6 6 2 41.451 82.902 0.43 3.09 8 71.2 34.0
249 8 6 1 41.511 83.022 0.43 3.09 8 70.2 33.0
250 9 5 0 41.648 83.295 0.431 3.07 4 41.3 5.7
251 3 11 1 41.719 83.438 0.432 3.06 8 81.7 44.3
252 2 4 3 41.754 83.508 0.432 3.06 8 50.9 17.2
253 3 3 3 41.86 83.719 0.433 3.05 8 38.7 9.9
254 6 9 1 41.913 83.827 0.434 3.05 8 25.3 4.2
255 2 12 0 41.939 83.878 0.434 3.04 4 103.0 35.0
256 3 9 2 42.115 84.23 0.435 3.03 8 109.1 78.1
257 4 0 3 42.145 84.29 0.436 3.03 4 88.7 25.8
258 0 5 3 42.252 84.504 0.436 3.02 4 79.2 20.5
259 5 10 1 42.298 84.595 0.437 3.01 8 13.9 1.3
260 4 1 3 42.316 84.633 0.437 3.01 8 107.8 75.9
261 10 0 0 42.324 84.648 0.437 3.01 2 165.8 44.9
262 7 8 1 42.394 84.788 0.438 3.0 8 13.9 1.3
263 10 1 0 42.495 84.99 0.438 2.99 4 123.1 49.2
264 1 5 3 42.513 85.026 0.439 2.99 8 86.7 48.7
265 9 4 1 42.522 85.044 0.439 2.99 8 31.6 6.5
266 8 0 2 42.592 85.184 0.439 2.99 4 84.5 23.1
267 6 10 0 42.752 85.504 0.441 2.97 4 109.0 38.3
268 8 1 2 42.763 85.526 0.441 2.97 8 96.6 60.1
269 4 2 3 42.83 85.659 0.441 2.97 8 91.9 54.3
270 7 9 0 42.89 85.779 0.442 2.96 4 73.2 17.2
271 7 5 2 42.96 85.919 0.442 2.96 8 30.2 5.9
272 10 2 0 43.008 86.017 0.443 2.95 4 144.6 67.0
273 0 10 2 43.02 86.04 0.443 2.95 4 32.5 3.4
274 3 4 3 43.058 86.116 0.443 2.95 8 35.2 7.9
275 3 12 0 43.242 86.485 0.445 2.94 4 89.9 25.7
276 8 2 2 43.276 86.552 0.445 2.93 8 108.4 74.8
277 1 10 2 43.28 86.561 0.445 2.93 8 99.3 62.8
278 2 5 3 43.294 86.589 0.445 2.93 8 43.2 11.9
279 5 8 2 43.376 86.753 0.446 2.93 8 93.8 55.9
280 5 11 0 43.477 86.954 0.447 2.92 4 63.3 12.7
281 9 6 0 43.53 87.06 0.447 2.92 4 175.8 97.7
282 4 11 1 43.544 87.088 0.447 2.91 8 35.8 8.1
283 1 12 1 43.569 87.139 0.447 2.91 8 51.7 16.9
284 6 7 2 43.676 87.353 0.448 2.91 8 154.4 150.3
285 4 3 3 43.684 87.368 0.448 2.9 8 146.9 136.0
286 8 7 1 43.736 87.472 0.449 2.9 8 102.3 65.8
287 10 3 0 43.862 87.724 0.45 2.89 4 104.1 34.0
288 8 8 0 43.889 87.778 0.45 2.89 4 47.7 7.1
289 4 9 2 43.938 87.875 0.45 2.89 8 66.1 27.4
290 9 5 1 44.06 88.119 0.451 2.88 8 172.3 185.6
291 2 10 2 44.06 88.121 0.451 2.88 8 114.3 81.6
292 8 3 2 44.129 88.259 0.452 2.88 8 160.2 160.2
293 2 12 1 44.349 88.698 0.454 2.86 8 10.5 0.7
294 1 6 3 44.392 88.783 0.454 2.86 8 49.1 15.0
295 3 5 3 44.594 89.188 0.456 2.85 8 55.8 19.2
296 5 1 3 44.658 89.316 0.456 2.85 8 3.0 0.1
297 10 0 1 44.732 89.465 0.457 2.84 4 64.2 12.7
298 7 6 2 44.837 89.674 0.458 2.84 8 106.4 69.7
299 4 4 3 44.878 89.756 0.458 2.83 8 52.9 17.2
300 10 1 1 44.903 89.806 0.458 2.83 8 20.9 2.7
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 6.264 12.527 7.06 933.7 34.2 34.5 5.6
2 1 2 0 7.366 14.732 6.00801 107.9 4.0 4.0 5.6
3 2 0 0 7.739 15.478 5.72 99.5 3.6 3.7 5.6
4 2 1 0 8.354 16.709 5.30151 179.2 6.6 6.6 5.6
5 1 3 0 10.193 20.386 4.35268 1326.4 48.6 48.7 5.6
6 3 1 0 12.077 24.155 3.68144 2730.5 100.0 100.0 5.6
7 2 3 0 12.236 24.472 3.63444 1475.7 54.0 54.0 5.6
8 0 4 0 12.604 25.208 3.53 531.6 19.5 19.5 5.6
9 1 1 1 12.852 25.704 3.46292 802.3 29.4 29.3 5.6
10 1 4 0 13.201 26.401 3.37307 1164.6 42.7 42.6 5.6
11 3 2 0 13.272 26.545 3.35519 30.3 1.1 1.1 5.6
12 1 2 1 13.985 27.971 3.18728 2626.5 96.2 95.9 5.6
13 2 1 1 14.546 29.092 3.06695 981.2 35.9 35.8 5.6
14 2 4 0 14.858 29.715 3.00401 1595.0 58.4 58.2 5.6
15 3 3 0 15.068 30.137 2.96292 236.6 8.7 8.6 5.6
16 2 2 1 15.566 31.131 2.87053 2539.9 93.0 92.5 5.6
17 4 2 0 16.893 33.786 2.65076 36.1 1.3 1.3 5.7
18 3 1 1 17.027 34.054 2.63051 2608.3 95.5 94.8 5.7
19 2 3 1 17.143 34.287 2.6132 2693.9 98.7 97.8 5.7
20 3 4 0 17.299 34.597 2.59047 77.8 2.8 2.8 5.7
21 2 5 0 17.71 35.419 2.53221 862.8 31.6 31.3 5.7
22 1 4 1 17.866 35.731 2.51081 561.5 20.6 20.4 5.7
23 3 2 1 17.92 35.84 2.50341 274.7 10.1 10.0 5.7
24 4 3 0 18.37 36.74 2.44414 41.3 1.5 1.5 5.7
25 0 6 0 19.106 38.212 2.35333 76.4 2.8 2.8 5.7
26 2 4 1 19.16 38.32 2.34695 180.0 6.6 6.5 5.7
27 3 3 1 19.329 38.658 2.3272 104.6 3.8 3.8 5.7
28 1 6 0 19.522 39.044 2.30507 165.8 6.1 6.0 5.7
29 4 0 1 19.779 39.557 2.27632 202.0 7.4 7.3 5.7
30 3 5 0 19.841 39.682 2.26944 317.0 11.6 11.5 5.7
31 0 5 1 19.946 39.891 2.25805 212.7 7.8 7.7 5.7
32 4 1 1 20.045 40.09 2.24731 678.8 24.9 24.5 5.7
33 4 4 0 20.281 40.563 2.22219 48.0 1.8 1.7 5.7
34 1 5 1 20.347 40.694 2.21531 443.2 16.2 16.0 5.7
35 5 2 0 20.726 41.452 2.17655 993.9 36.4 35.9 5.7
36 4 2 1 20.827 41.653 2.1665 470.6 17.2 17.0 5.7
37 3 4 1 21.167 42.334 2.1332 46.0 1.7 1.7 5.7
38 2 5 1 21.515 43.03 2.10031 104.8 3.8 3.8 5.7
39 5 3 0 21.983 43.966 2.05775 77.5 2.8 2.8 5.7
40 4 3 1 22.079 44.158 2.04924 970.9 35.6 34.9 5.7
41 4 5 0 22.54 45.079 2.00948 501.4 18.4 18.0 5.7
42 3 6 0 22.621 45.241 2.00267 461.5 16.9 16.6 5.7
43 1 7 0 22.815 45.63 1.9865 166.5 6.1 6.0 5.7
44 1 6 1 23.077 46.154 1.96517 97.2 3.6 3.5 5.7
45 3 5 1 23.356 46.712 1.94296 118.3 4.3 4.2 5.7
46 5 4 0 23.653 47.306 1.91997 823.9 30.2 29.5 5.7
47 4 4 1 23.744 47.487 1.91306 93.8 3.4 3.4 5.7
48 6 0 0 23.828 47.656 1.90667 84.6 3.1 3.0 5.7
49 2 7 0 23.886 47.772 1.90232 51.8 1.9 1.9 5.7
50 2 6 1 24.139 48.277 1.88357 707.2 25.9 25.3 5.7
51 0 0 2 24.187 48.375 1.88 1393.8 51.0 49.9 5.7
52 0 2 2 25.087 50.175 1.81669 86.5 3.2 3.1 5.7
53 5 3 1 25.26 50.52 1.80511 899.7 32.9 32.1 5.8
54 0 7 1 25.68 51.36 1.77751 1177.5 43.1 42.0 5.8
55 4 5 1 25.762 51.524 1.77226 111.0 4.1 4.0 5.8
56 3 6 1 25.835 51.67 1.76758 774.3 28.4 27.6 5.8
57 1 7 1 26.011 52.023 1.75643 700.2 25.6 25.0 5.8
58 1 3 2 26.507 53.014 1.72589 194.7 7.1 6.9 5.8
59 5 4 1 26.774 53.548 1.70994 189.0 6.9 6.7 5.8
60 6 0 1 26.934 53.868 1.70052 538.4 19.7 19.1 5.8
61 2 7 1 26.987 53.974 1.69744 127.4 4.7 4.5 5.8
62 2 8 0 27.176 54.352 1.68654 74.2 2.7 2.6 5.8
63 3 1 2 27.391 54.781 1.67432 579.3 21.2 20.6 5.8
64 2 3 2 27.471 54.941 1.66983 328.5 12.0 11.7 5.8
65 0 4 2 27.659 55.318 1.65934 122.9 4.5 4.4 5.8
66 4 7 0 27.859 55.717 1.6484 38.7 1.4 1.4 5.8
67 1 4 2 27.974 55.947 1.64216 274.8 10.1 9.7 5.8
68 4 6 1 28.085 56.171 1.63615 35.2 1.3 1.2 5.8
69 7 1 0 28.325 56.65 1.62345 183.1 6.7 6.5 5.8
70 5 5 1 28.638 57.277 1.60717 124.3 4.6 4.4 5.8
71 3 8 0 28.744 57.488 1.60175 65.3 2.4 2.3 5.8
72 6 3 1 28.792 57.583 1.59934 141.6 5.2 5.0 5.8
73 2 4 2 28.904 57.808 1.59364 767.5 28.1 27.1 5.8
74 3 3 2 29.028 58.057 1.58742 64.1 2.3 2.3 5.8
75 6 5 0 29.173 58.346 1.58022 51.2 1.9 1.8 5.8
76 1 9 0 29.707 59.414 1.55434 285.2 10.4 10.1 5.8
77 2 8 1 30.037 60.075 1.53882 221.1 8.1 7.8 5.8
78 6 4 1 30.185 60.369 1.53202 185.1 6.8 6.5 5.8
79 2 5 2 30.684 61.368 1.50946 340.3 12.5 12.0 5.8
80 4 8 0 30.853 61.706 1.502 314.5 11.5 11.1 5.8
81 7 1 1 31.118 62.237 1.49045 202.9 7.4 7.1 5.8
82 6 6 0 31.329 62.657 1.48146 34.2 1.3 1.2 5.8
83 3 8 1 31.515 63.029 1.47361 29.6 1.1 1.0 5.9
84 0 6 2 31.629 63.257 1.46884 37.6 1.4 1.3 5.9
85 7 2 1 31.694 63.387 1.46615 144.2 5.3 5.1 5.9
86 1 6 2 31.919 63.838 1.45689 109.0 4.0 3.8 5.9
87 3 9 0 32.066 64.133 1.45089 85.5 3.1 3.0 5.9
88 3 5 2 32.144 64.288 1.44776 174.6 6.4 6.1 5.9
89 5 1 2 32.215 64.43 1.44492 27.8 1.0 1.0 5.9
90 5 2 2 32.779 65.558 1.42275 559.1 20.5 19.5 5.9
91 5 7 1 33.282 66.563 1.40369 156.2 5.7 5.4 5.9
92 8 2 0 33.339 66.679 1.40154 134.1 4.9 4.7 5.9
93 5 8 0 33.448 66.896 1.3975 56.5 2.1 2.0 5.9
94 5 3 2 33.709 67.418 1.38795 37.4 1.4 1.3 5.9
95 6 7 0 33.773 67.546 1.38563 150.8 5.5 5.3 5.9
96 7 4 1 33.94 67.881 1.37962 174.3 6.4 6.1 5.9
97 6 6 1 33.976 67.953 1.37833 80.0 2.9 2.8 5.9
98 4 5 2 34.13 68.261 1.37285 272.9 10.0 9.5 5.9
99 3 6 2 34.192 68.384 1.37068 339.8 12.4 11.8 5.9
100 8 3 0 34.261 68.523 1.36824 154.8 5.7 5.4 5.9
101 1 7 2 34.341 68.682 1.36546 97.4 3.6 3.4 5.9
102 5 4 2 34.99 69.98 1.34327 556.8 20.4 19.3 5.9
103 6 0 2 35.128 70.255 1.33869 49.7 1.8 1.7 5.9
104 2 7 2 35.173 70.346 1.33718 29.4 1.1 1.0 5.9
105 7 5 1 35.579 71.157 1.32391 225.8 8.3 7.8 5.9
106 1 10 1 35.916 71.832 1.31313 40.2 1.5 1.4 5.9
107 5 9 0 36.535 73.069 1.29391 90.4 3.3 3.1 6.0
108 4 9 1 36.605 73.209 1.29179 46.1 1.7 1.6 6.0
109 2 10 1 36.732 73.465 1.28792 69.4 2.5 2.4 6.0
110 8 3 1 36.804 73.609 1.28576 77.1 2.8 2.7 6.0
111 7 7 0 37.344 74.689 1.26982 44.6 1.6 1.5 6.0
112 4 10 0 37.473 74.946 1.2661 108.8 4.0 3.7 6.0
113 7 6 1 37.539 75.078 1.2642 77.3 2.8 2.7 6.0
114 2 8 2 37.848 75.696 1.2554 52.9 1.9 1.8 6.0
115 8 4 1 38.041 76.082 1.24999 51.6 1.9 1.8 6.0
116 3 10 1 38.078 76.157 1.24896 245.3 9.0 8.4 6.0
117 1 1 3 38.365 76.729 1.24106 40.2 1.5 1.4 6.0
118 4 7 2 38.424 76.848 1.23943 32.1 1.2 1.1 6.0
119 7 1 2 38.821 77.643 1.22872 145.0 5.3 5.0 6.0
120 1 2 3 38.889 77.778 1.22692 154.3 5.7 5.3 6.0
121 5 9 1 39.019 78.037 1.2235 232.6 8.5 7.9 6.0
122 2 1 3 39.163 78.326 1.21971 105.5 3.9 3.6 6.0
123 7 2 2 39.344 78.688 1.215 500.4 18.3 17.1 6.0
124 6 9 0 39.481 78.961 1.21148 37.1 1.4 1.3 6.0
125 6 5 2 39.552 79.104 1.20966 43.2 1.6 1.5 6.0
126 8 5 1 39.612 79.224 1.20811 185.2 6.8 6.3 6.0
127 2 2 3 39.684 79.368 1.20629 154.9 5.7 5.3 6.0
128 9 1 1 39.941 79.883 1.19981 293.7 10.8 10.0 6.0
129 1 9 2 40.017 80.033 1.19793 235.3 8.6 8.0 6.0
130 2 11 1 40.408 80.816 1.18829 35.7 1.3 1.2 6.1
131 3 1 3 40.483 80.966 1.18646 239.1 8.8 8.1 6.1
132 2 3 3 40.549 81.099 1.18486 211.5 7.7 7.2 6.1
133 1 4 3 40.968 81.936 1.17485 52.2 1.9 1.8 6.1
134 4 8 2 41.027 82.053 1.17348 300.2 11.0 10.2 6.1
135 1 12 0 41.154 82.308 1.17049 51.5 1.9 1.7 6.1
136 6 6 2 41.451 82.902 1.1636 34.0 1.2 1.1 6.1
137 8 6 1 41.511 83.022 1.16223 33.0 1.2 1.1 6.1
138 3 11 1 41.719 83.438 1.15748 44.3 1.6 1.5 6.1
139 2 12 0 41.939 83.878 1.15253 39.2 1.4 1.3 6.1
140 3 9 2 42.115 84.23 1.14861 103.9 3.8 3.5 6.1
141 10 0 0 42.324 84.648 1.144 122.0 4.5 4.1 6.1
142 10 1 0 42.495 84.99 1.14026 104.4 3.8 3.5 6.1
143 8 1 2 42.763 85.526 1.13448 98.4 3.6 3.3 6.1
144 4 2 3 42.83 85.659 1.13306 54.3 2.0 1.8 6.1
145 10 2 0 43.008 86.017 1.12927 70.3 2.6 2.4 6.1
146 8 2 2 43.276 86.552 1.12365 149.4 5.5 5.0 6.1
147 5 8 2 43.376 86.753 1.12157 55.9 2.0 1.9 6.1
148 9 6 0 43.53 87.06 1.1184 105.9 3.9 3.5 6.1
149 6 7 2 43.676 87.353 1.1154 286.3 10.5 9.6 6.2
150 8 7 1 43.736 87.472 1.11419 65.8 2.4 2.2 6.2
151 10 3 0 43.862 87.724 1.11163 41.1 1.5 1.4 6.2
152 4 9 2 43.938 87.875 1.11011 27.4 1.0 0.9 6.2
153 9 5 1 44.06 88.119 1.10767 267.2 9.8 8.9 6.2
154 8 3 2 44.129 88.259 1.10628 160.2 5.9 5.3 6.2
155 7 6 2 44.837 89.674 1.09245 69.7 2.6 2.3 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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