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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MIARGYRITE
1, f-stephanite, s-miargyrite
AgSbS(2)
Monoclinic C c Z = 8
Cc
11 .5 .1988
Ref.Str.:
Knowles C.R. (1964)
* Acta Cryst., 17, 847-851
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.862 alpha = 90.0
b = 4.411 beta = 98.63
c = 13.22 gamma = 90.0
Unit cell volume (cub. angs.) = 741.54
Molar volume ( cub.cm/mol.) = 55.83
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.25 1.16 Ag = 1.00
2 0.0091 0.5173 0.4996 1.21 Ag = 1.00
3 0.2585 0.9568 0.6208 0.95 Sb = 1.00
4 0.7486 0.0526 0.3652 0.92 Sb = 1.00
5 0.1457 0.3754 0.6875 1.52 S = 1.00
6 0.8612 0.6709 0.2941 0.9 S = 1.00
7 0.1161 0.1815 0.4072 1.72 S = 1.00
8 0.8966 0.8399 0.5757 0.4 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.25
2 2 0.0091 0.5173 0.4996
3 3 0.2585 0.9568 0.6208
4 4 0.7486 0.0526 0.3652
5 5 0.1457 0.3754 0.6875
6 6 0.8612 0.6709 0.2941
7 7 0.1161 0.1815 0.4072
8 8 0.8966 0.8399 0.5757
9 1 0.0 0.0 0.75
10 2 0.0091 0.4827 0.9996
11 3 0.2585 0.0432 0.1208
12 4 0.7486 0.9474 0.8652
13 5 0.1457 0.6246 0.1875
14 6 0.8612 0.3291 0.7941
15 7 0.1161 0.8185 0.9072
16 8 0.8966 0.1601 0.0757
17 1 0.5 0.5 0.75
18 2 0.5091 0.9827 0.9996
19 3 0.7585 0.5432 0.1208
20 4 0.2486 0.4474 0.8652
21 5 0.6457 0.1246 0.1875
22 6 0.3612 0.8291 0.7941
23 7 0.6161 0.3185 0.9072
24 8 0.3966 0.6601 0.0757
25 1 0.5 0.5 0.25
26 2 0.5091 0.0173 0.4996
27 3 0.7585 0.4568 0.6208
28 4 0.2486 0.5526 0.3652
29 5 0.6457 0.8754 0.6875
30 6 0.3612 0.1709 0.2941
31 7 0.6161 0.6815 0.4072
32 8 0.3966 0.3399 0.5757
X-ray density (g/cm cub.) = 5.26
MU (1/cm) = 1112.15 Mass attenuation coefficient (cm**2/g) = 211.416
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ag 3.54 5
2.4386 6
2.5017 7
3.5 5
2.7205 5
2.5802 8
2 Ag 3.54 6
2.8878 5
3.1476 6
3.5319 7
2.4667 7
2.3596 8
3.5314 8
3 Sb 3.264 4
2.5837 5
3.1374 5
2.5304 6
2.5853 8
4 Sb 3.264 3
2.4948 6
2.5374 5
2.4852 7
5 S 4.368 9
3.7662 7
3.9021 8
4.0753 8
4.1189 6
3.5683 7
3.8661 7
3.5357 6
3.782 6
3.7489 8
6 S 4.368 9
4.0726 7
4.0216 7
3.7568 8
4.1189 5
3.6871 8
3.7436 8
3.5357 5
3.782 5
3.6865 7
7 S 4.368 8
3.7662 5
4.0216 6
4.0726 6
4.134 8
3.5683 5
3.8661 5
3.6865 6
4.0068 8
8 S 4.368 8
4.0753 5
3.9021 5
3.7568 6
4.134 7
3.6871 6
3.7436 6
3.7489 5
4.0068 7
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 0 0 2 6.769 13.538 0.077 141.0 2 48.9 122.8
2 2 0 0 6.958 13.917 0.079 133.31 2 29.9 43.4
3 2 0 -2 8.965 17.93 0.101 79.43 2 19.3 10.7
4 2 0 2 10.443 20.886 0.118 57.97 2 92.3 179.6
5 1 1 0 10.651 21.303 0.12 55.64 4 22.1 19.8
6 1 1 -1 11.024 22.048 0.124 51.8 4 26.7 26.9
7 1 1 1 11.347 22.693 0.128 48.78 4 22.3 17.6
8 1 1 -2 12.373 24.746 0.139 40.69 4 30.5 27.5
9 1 1 2 12.947 25.894 0.145 36.98 4 546.7 8039.7
10 0 0 4 13.635 27.27 0.153 33.15 2 79.7 76.5
11 4 0 0 14.022 28.044 0.157 31.23 2 469.7 2505.7
12 2 0 -4 14.38 28.76 0.161 29.6 2 461.4 2291.9
13 1 1 -3 14.443 28.886 0.162 29.33 4 114.1 277.7
14 3 1 0 14.597 29.195 0.164 28.67 4 73.6 113.0
15 3 1 -1 14.628 29.256 0.164 28.54 4 196.3 800.4
16 4 0 -2 14.657 29.315 0.164 28.42 2 31.1 10.0
17 1 1 3 15.188 30.376 0.17 26.33 4 72.3 100.1
18 3 1 1 15.365 30.729 0.172 25.69 4 89.5 149.6
19 3 1 -2 15.452 30.903 0.173 25.38 4 718.4 9526.3
20 2 0 4 16.305 32.609 0.182 22.6 2 770.2 4875.9
21 4 0 2 16.553 33.106 0.185 21.87 2 35.4 10.0
22 3 1 2 16.831 33.662 0.188 21.09 4 27.3 11.4
23 3 1 -3 16.964 33.929 0.189 20.74 4 165.7 414.0
24 1 1 -4 16.997 33.993 0.19 20.65 4 30.5 14.0
25 1 1 4 17.856 35.712 0.199 18.54 4 8.4 0.9
26 4 0 -4 18.16 36.319 0.202 17.87 2 36.1 8.5
27 3 1 3 18.853 37.706 0.21 16.45 4 39.2 18.4
28 3 1 -4 19.022 38.044 0.212 16.13 4 10.9 1.4
29 1 1 -5 19.88 39.76 0.221 14.63 4 106.6 121.0
30 5 1 -1 20.298 40.596 0.225 13.97 4 131.7 176.3
31 0 2 0 20.442 40.883 0.227 13.75 2 451.8 1020.6
32 5 1 0 20.463 40.926 0.227 13.72 4 73.7 54.3
33 0 0 6 20.708 41.415 0.23 13.36 2 15.6 1.2
34 5 1 -2 20.74 41.48 0.23 13.31 4 26.9 7.0
35 0 2 1 20.744 41.488 0.23 13.31 4 225.2 490.9
36 1 1 5 20.821 41.643 0.231 13.2 4 33.1 10.5
37 2 0 -6 20.865 41.73 0.231 13.13 2 47.7 10.9
38 5 1 1 21.224 42.448 0.235 12.64 4 77.9 55.9
39 4 0 4 21.255 42.51 0.235 12.6 2 55.2 14.0
40 3 1 4 21.299 42.599 0.236 12.54 4 28.8 7.6
41 6 0 0 21.312 42.624 0.236 12.53 2 20.5 1.9
42 6 0 -2 21.399 42.799 0.237 12.41 2 97.1 42.5
43 3 1 -5 21.496 42.992 0.238 12.29 4 107.1 102.6
44 0 2 2 21.63 43.259 0.239 12.12 4 32.3 9.2
45 2 2 0 21.695 43.39 0.24 12.03 4 26.9 6.3
46 5 1 -3 21.758 43.517 0.241 11.96 4 32.2 9.0
47 2 2 -1 21.806 43.612 0.241 11.9 4 86.9 65.3
48 2 2 1 22.16 44.319 0.245 11.47 4 168.6 237.2
49 2 2 -2 22.485 44.97 0.248 11.1 4 10.8 1.0
50 5 1 2 22.531 45.062 0.249 11.05 4 589.6 2795.2
51 2 0 6 22.992 45.983 0.254 10.56 2 143.3 78.9
52 1 1 -6 23.008 46.016 0.254 10.54 4 595.0 2714.3
53 0 2 3 23.045 46.09 0.254 10.5 4 132.1 133.4
54 2 2 2 23.172 46.343 0.255 10.37 4 21.4 3.5
55 5 1 -4 23.293 46.586 0.257 10.25 4 31.5 7.4
56 4 0 -6 23.424 46.848 0.258 10.12 2 37.8 5.3
57 6 0 2 23.487 46.975 0.259 10.06 2 38.8 5.5
58 2 2 -3 23.694 47.388 0.261 9.86 4 58.6 24.6
59 6 0 -4 23.73 47.46 0.261 9.83 2 668.6 1597.9
60 1 1 6 24.015 48.029 0.264 9.57 4 69.5 33.6
61 3 1 5 24.076 48.151 0.265 9.51 4 57.0 22.5
62 3 1 -6 24.294 48.588 0.267 9.32 4 69.9 33.1
63 5 1 3 24.316 48.632 0.267 9.3 4 181.9 223.9
64 2 2 3 24.68 49.359 0.271 8.99 4 138.8 126.0
65 0 2 4 24.921 49.842 0.274 8.79 4 41.3 10.9
66 4 2 -1 25.095 50.189 0.275 8.66 4 66.0 27.5
67 4 2 0 25.155 50.31 0.276 8.61 4 517.7 1678.5
68 5 1 -5 25.273 50.546 0.277 8.52 4 14.5 1.3
69 2 2 -4 25.376 50.751 0.278 8.44 4 517.9 1646.6
70 4 2 -2 25.549 51.098 0.28 8.31 4 58.0 20.3
71 4 2 1 25.728 51.456 0.282 8.18 4 37.0 8.1
72 1 1 -7 26.339 52.677 0.288 7.75 4 170.2 163.4
73 4 2 -3 26.5 52.999 0.29 7.65 4 71.0 28.0
74 5 1 4 26.509 53.019 0.29 7.64 4 120.6 80.9
75 2 2 4 26.622 53.244 0.291 7.57 4 406.3 908.5
76 4 2 2 26.79 53.58 0.293 7.46 4 59.5 19.2
77 7 1 -1 27.011 54.021 0.295 7.32 4 39.7 8.4
78 3 1 6 27.122 54.244 0.296 7.25 4 427.2 962.6
79 0 2 5 27.191 54.382 0.297 7.21 4 99.2 51.6
80 7 1 -2 27.217 54.434 0.297 7.19 4 412.9 892.1
81 4 0 6 27.236 54.472 0.297 7.18 2 118.2 36.5
82 7 1 0 27.295 54.59 0.298 7.15 4 46.1 11.1
83 3 1 -7 27.359 54.719 0.298 7.11 4 47.1 11.5
84 1 1 7 27.404 54.809 0.299 7.08 4 80.9 33.7
85 2 2 -5 27.469 54.938 0.299 7.05 4 47.9 11.7
86 6 0 4 27.511 55.023 0.3 7.02 2 406.4 421.7
87 5 1 -6 27.633 55.266 0.301 6.95 4 404.9 828.8
88 6 0 -6 27.872 55.744 0.303 6.82 2 53.7 7.1
89 7 1 -3 27.906 55.812 0.304 6.8 4 18.1 1.6
90 4 2 -4 27.911 55.822 0.304 6.79 4 47.9 11.3
91 2 0 -8 27.959 55.919 0.304 6.77 2 65.9 10.7
92 7 1 1 28.059 56.118 0.305 6.71 4 32.1 5.0
93 0 0 8 28.13 56.259 0.306 6.68 2 389.0 367.3
94 4 2 3 28.303 56.606 0.308 6.58 4 75.5 27.3
95 8 0 -2 28.766 57.531 0.312 6.35 2 131.8 40.1
96 2 2 5 28.943 57.886 0.314 6.26 4 221.4 223.2
97 8 0 0 28.986 57.971 0.315 6.24 2 552.5 692.5
98 5 1 5 29.054 58.108 0.315 6.2 4 28.2 3.6
99 7 1 -4 29.055 58.11 0.315 6.2 4 55.3 13.8
100 7 1 2 29.279 58.557 0.317 6.1 4 36.3 5.8
101 4 2 -5 29.74 59.481 0.322 5.89 4 110.3 52.1
102 4 0 -8 29.782 59.563 0.322 5.87 2 572.0 698.4
103 0 2 6 29.802 59.604 0.323 5.86 4 47.4 9.6
104 1 1 -8 29.859 59.718 0.323 5.83 4 64.2 17.5
105 2 2 -6 29.923 59.845 0.324 5.81 4 28.5 3.4
106 6 2 -1 30.074 60.147 0.325 5.74 4 84.4 29.7
107 4 2 4 30.224 60.449 0.327 5.68 4 49.9 10.3
108 6 2 0 30.269 60.537 0.327 5.66 4 21.8 2.0
109 2 0 8 30.271 60.541 0.327 5.66 2 96.1 19.0
110 5 1 -7 30.324 60.648 0.328 5.64 4 45.2 8.4
111 6 2 -2 30.337 60.673 0.328 5.63 4 60.8 15.2
112 8 0 -4 30.403 60.806 0.329 5.6 2 61.6 7.7
113 3 1 7 30.409 60.817 0.329 5.6 4 51.5 10.8
114 7 1 -5 30.632 61.265 0.331 5.51 4 24.6 2.4
115 3 1 -8 30.663 61.326 0.331 5.5 4 17.8 1.3
116 6 2 1 30.916 61.832 0.334 5.4 4 82.5 26.8
117 7 1 3 30.921 61.841 0.334 5.4 4 97.6 37.4
118 1 1 8 30.984 61.968 0.334 5.37 4 56.8 12.6
119 8 0 2 31.039 62.078 0.335 5.35 2 160.9 50.4
120 6 2 -3 31.051 62.101 0.335 5.35 4 194.5 147.1
121 2 2 6 31.599 63.198 0.34 5.15 4 27.2 2.8
122 1 3 0 31.828 63.656 0.342 5.07 4 13.6 0.7
123 5 1 6 31.91 63.819 0.343 5.04 4 57.2 12.0
124 4 2 -6 31.949 63.897 0.343 5.02 4 46.9 8.1
125 1 3 -1 31.981 63.963 0.344 5.01 4 142.4 73.9
126 6 2 2 32.0 64.0 0.344 5.01 4 83.1 25.2
127 1 3 1 32.118 64.236 0.345 4.97 4 130.5 61.5
128 6 2 -4 32.198 64.396 0.346 4.94 4 347.0 432.6
129 4 2 5 32.516 65.032 0.349 4.84 4 142.6 71.6
130 1 3 -2 32.575 65.149 0.349 4.82 4 57.3 11.5
131 7 1 -6 32.603 65.206 0.35 4.81 4 41.0 5.9
132 2 2 -7 32.699 65.398 0.351 4.78 4 65.3 14.8
133 0 2 7 32.719 65.438 0.351 4.77 4 84.9 25.0
134 1 3 2 32.845 65.689 0.352 4.73 4 449.3 694.9
135 6 0 6 32.941 65.882 0.353 4.7 2 28.5 1.4
136 7 1 4 32.951 65.902 0.353 4.7 4 93.8 30.1
137 5 1 -8 33.314 66.628 0.357 4.59 4 48.6 7.9
138 6 0 -8 33.395 66.79 0.357 4.57 2 107.7 19.3
139 6 2 3 33.499 66.997 0.358 4.54 4 92.3 28.1
140 1 1 -9 33.575 67.151 0.359 4.52 4 42.8 6.0
141 1 3 -3 33.595 67.19 0.359 4.51 4 129.0 54.6
142 3 3 0 33.677 67.353 0.36 4.49 4 30.4 3.0
143 3 3 -1 33.693 67.385 0.36 4.48 4 152.9 76.3
144 8 0 -6 33.736 67.473 0.361 4.47 2 40.1 2.6
145 6 2 -5 33.756 67.512 0.361 4.47 4 144.7 68.0
146 3 1 8 33.927 67.853 0.362 4.42 4 9.0 0.3
147 1 3 3 33.994 67.987 0.363 4.4 4 126.9 51.6
148 3 3 1 34.09 68.181 0.364 4.37 4 98.5 30.9
149 3 3 -2 34.138 68.277 0.364 4.36 4 226.8 163.3
150 4 0 8 34.159 68.318 0.364 4.36 2 452.0 323.8
151 3 1 -9 34.199 68.397 0.365 4.35 4 38.3 4.6
152 4 2 -7 34.504 69.007 0.368 4.27 4 137.3 58.5
153 9 1 -1 34.544 69.088 0.368 4.26 4 25.1 1.9
154 2 2 7 34.563 69.125 0.368 4.25 4 59.9 11.1
155 9 1 -2 34.592 69.183 0.369 4.24 4 11.0 0.4
156 8 0 4 34.737 69.474 0.37 4.21 2 47.3 3.4
157 1 1 9 34.764 69.529 0.37 4.2 4 30.4 2.8
158 9 1 0 34.921 69.843 0.372 4.16 4 52.8 8.4
159 3 3 2 34.927 69.854 0.372 4.16 4 62.6 11.9
160 7 1 -7 34.938 69.876 0.372 4.16 4 52.0 8.2
161 3 3 -3 35.006 70.012 0.372 4.14 4 130.9 51.7
162 1 3 -4 35.025 70.051 0.373 4.14 4 36.2 3.9
163 5 1 7 35.056 70.112 0.373 4.13 4 52.7 8.3
164 9 1 -3 35.063 70.127 0.373 4.13 4 42.4 5.4
165 4 2 6 35.149 70.297 0.374 4.11 4 4.7 0.1
166 7 1 5 35.342 70.684 0.375 4.06 4 24.0 1.7
167 6 2 4 35.387 70.774 0.376 4.05 4 385.9 439.1
168 1 3 4 35.546 71.092 0.377 4.02 4 60.3 10.6
169 6 2 -6 35.701 71.402 0.379 3.98 4 14.7 0.6
170 2 0 -10 35.703 71.406 0.379 3.98 2 61.7 5.5
171 9 1 1 35.718 71.436 0.379 3.98 4 57.2 9.5
172 2 2 -8 35.777 71.554 0.379 3.97 4 79.2 18.1
173 0 2 8 35.926 71.852 0.381 3.94 4 388.2 431.5
174 9 1 -4 35.952 71.905 0.381 3.93 4 83.5 19.9
175 0 0 10 36.11 72.22 0.383 3.9 2 50.9 3.7
176 3 3 3 36.174 72.347 0.383 3.88 4 145.2 59.6
177 3 3 -4 36.283 72.565 0.384 3.86 4 2.5 0.0
178 8 2 -1 36.374 72.748 0.385 3.84 4 78.1 17.0
179 8 2 -2 36.485 72.969 0.386 3.82 4 17.3 0.8
180 5 1 -9 36.591 73.183 0.387 3.8 4 21.9 1.3
181 8 2 0 36.679 73.358 0.388 3.78 4 322.9 286.8
182 10 0 -2 36.833 73.666 0.389 3.75 2 47.9 3.1
183 1 3 -5 36.846 73.691 0.389 3.75 4 134.4 49.3
184 9 1 2 36.922 73.844 0.39 3.73 4 349.4 331.7
185 8 2 -3 37.01 74.021 0.391 3.72 4 152.4 62.9
186 4 0 -10 37.059 74.118 0.391 3.71 2 57.5 4.5
187 5 3 -1 37.126 74.252 0.392 3.7 4 141.0 53.5
188 5 3 0 37.238 74.476 0.393 3.68 4 27.4 2.0
189 9 1 -5 37.246 74.493 0.393 3.67 4 121.3 39.3
190 10 0 0 37.282 74.564 0.393 3.67 2 31.1 1.3
191 4 2 -8 37.387 74.774 0.394 3.65 4 318.0 268.4
192 8 2 1 37.397 74.793 0.394 3.65 4 189.1 94.9
193 5 3 -2 37.427 74.854 0.394 3.64 4 55.8 8.3
194 1 3 5 37.483 74.966 0.395 3.63 4 109.1 31.4
195 1 1 -10 37.51 75.021 0.395 3.63 4 86.0 19.5
196 7 1 -8 37.618 75.235 0.396 3.61 4 46.0 5.5
197 6 2 5 37.645 75.29 0.396 3.6 4 23.2 1.4
198 3 1 9 37.688 75.377 0.397 3.6 4 47.2 5.8
199 5 3 1 37.762 75.524 0.398 3.58 4 111.0 32.1
200 3 3 4 37.815 75.629 0.398 3.57 4 58.7 9.0
201 2 2 8 37.825 75.65 0.398 3.57 4 53.4 7.4
202 8 2 -4 37.944 75.888 0.399 3.55 4 16.0 0.7
203 3 3 -5 37.952 75.905 0.399 3.55 4 114.4 33.8
204 3 1 -10 37.98 75.959 0.399 3.55 4 331.7 283.9
205 6 2 -7 38.013 76.026 0.4 3.54 4 127.0 41.5
206 10 0 -4 38.035 76.071 0.4 3.54 2 295.9 112.7
207 7 1 6 38.075 76.151 0.4 3.53 4 383.4 377.5
208 4 2 7 38.108 76.216 0.401 3.53 4 52.4 7.1
209 5 3 -3 38.138 76.275 0.401 3.52 4 116.7 34.9
210 2 0 10 38.258 76.517 0.402 3.5 2 5.6 0.0
211 5 1 8 38.49 76.981 0.404 3.47 4 31.5 2.5
212 8 2 2 38.519 77.037 0.404 3.46 4 57.6 8.3
213 9 1 3 38.521 77.042 0.404 3.46 4 29.3 2.2
214 8 0 -8 38.56 77.12 0.405 3.45 2 282.8 100.5
215 5 3 2 38.692 77.383 0.406 3.43 4 225.3 126.8
216 1 1 10 38.774 77.548 0.407 3.42 4 393.6 385.7
217 9 1 -6 38.932 77.864 0.408 3.4 4 415.8 427.5
218 1 3 -6 39.04 78.08 0.409 3.38 4 217.6 116.5
219 2 2 -9 39.155 78.311 0.41 3.37 4 98.7 23.9
220 5 3 -4 39.251 78.501 0.411 3.35 4 44.9 4.9
221 8 2 -5 39.277 78.555 0.411 3.35 4 63.5 9.8
222 10 0 2 39.362 78.725 0.412 3.34 2 144.9 25.5
223 0 2 9 39.425 78.849 0.412 3.33 4 33.7 2.7
224 6 0 8 39.57 79.14 0.414 3.31 2 75.1 6.8
225 1 3 6 39.791 79.582 0.415 3.28 4 59.6 8.5
226 3 3 5 39.837 79.674 0.416 3.28 4 107.2 27.4
227 8 0 6 39.89 79.78 0.416 3.27 2 29.1 1.0
228 3 3 -6 40.003 80.006 0.417 3.25 4 68.4 11.1
229 5 3 3 40.019 80.039 0.417 3.25 4 141.4 47.3
230 8 2 3 40.035 80.07 0.418 3.25 4 36.3 3.1
231 6 0 -10 40.113 80.227 0.418 3.24 2 26.2 0.8
232 5 1 -10 40.163 80.325 0.419 3.23 4 65.5 10.1
233 6 2 6 40.261 80.523 0.42 3.22 4 95.1 21.2
234 9 1 4 40.503 81.006 0.422 3.19 4 52.2 6.3
235 4 2 -9 40.596 81.193 0.422 3.18 4 164.9 62.9
236 7 1 -9 40.635 81.271 0.423 3.18 4 80.3 14.9
237 6 2 -8 40.682 81.365 0.423 3.17 4 37.8 3.3
238 5 3 -5 40.758 81.515 0.424 3.16 4 112.8 29.3
239 10 0 -6 40.841 81.683 0.424 3.16 2 42.2 2.0
240 9 1 -7 40.999 81.997 0.426 3.14 4 79.5 14.4
241 8 2 -6 41.0 82.0 0.426 3.14 4 44.5 4.5
242 7 1 7 41.148 82.295 0.427 3.12 4 118.7 32.0
243 4 2 8 41.395 82.79 0.429 3.1 4 312.9 220.6
244 2 2 9 41.396 82.792 0.429 3.1 4 98.5 21.8
245 1 3 -7 41.6 83.201 0.431 3.08 4 126.2 35.6
246 1 1 -11 41.706 83.412 0.432 3.07 4 56.8 7.2
247 3 1 10 41.725 83.451 0.432 3.06 4 81.8 14.9
248 5 3 4 41.737 83.475 0.432 3.06 4 31.9 2.3
249 8 2 4 41.938 83.876 0.434 3.04 4 36.3 2.9
250 3 1 -11 42.039 84.078 0.435 3.03 4 49.5 5.4
251 4 0 10 42.066 84.131 0.435 3.03 2 159.4 28.0
252 7 3 -1 42.143 84.286 0.436 3.03 4 113.7 28.5
253 5 1 9 42.232 84.463 0.436 3.02 4 71.4 11.2
254 3 3 6 42.234 84.467 0.436 3.02 4 333.4 244.0
255 7 3 -2 42.311 84.622 0.437 3.01 4 358.1 280.9
256 7 3 0 42.375 84.749 0.437 3.0 4 88.0 16.9
257 3 3 -7 42.427 84.855 0.438 3.0 4 122.1 32.5
258 1 3 7 42.464 84.929 0.438 3.0 4 133.8 39.0
259 5 3 -6 42.653 85.305 0.44 2.98 4 365.7 290.1
260 2 2 -10 42.852 85.704 0.441 2.97 4 27.2 1.6
261 9 1 5 42.863 85.726 0.442 2.96 4 40.8 3.6
262 7 3 -3 42.878 85.757 0.442 2.96 4 104.2 23.4
263 11 1 -2 42.981 85.962 0.443 2.96 4 361.4 280.8
264 7 3 1 43.005 86.011 0.443 2.95 4 87.3 16.4
265 10 0 4 43.013 86.025 0.443 2.95 2 349.6 131.3
266 11 1 -1 43.059 86.119 0.443 2.95 4 120.4 31.1
267 1 1 11 43.062 86.124 0.443 2.95 4 121.0 31.4
268 8 2 -7 43.108 86.215 0.444 2.95 4 40.3 3.5
269 6 2 7 43.237 86.474 0.445 2.94 4 68.1 9.9
270 0 2 10 43.24 86.479 0.445 2.94 4 58.1 7.2
271 11 1 -3 43.301 86.603 0.445 2.93 4 30.1 1.9
272 9 1 -8 43.443 86.887 0.446 2.92 4 54.6 6.3
273 11 1 0 43.536 87.073 0.447 2.91 4 113.5 27.3
274 6 2 -9 43.713 87.426 0.449 2.9 4 77.8 12.8
275 5 3 5 43.842 87.684 0.45 2.89 4 58.9 7.3
276 7 3 -4 43.843 87.686 0.45 2.89 4 54.1 6.2
277 10 2 -2 43.932 87.864 0.45 2.89 4 75.5 12.0
278 10 2 -1 43.949 87.898 0.45 2.89 4 51.8 5.6
279 7 1 -10 44.003 88.007 0.451 2.88 4 376.9 298.0
280 11 1 -4 44.02 88.04 0.451 2.88 4 94.7 18.8
281 7 3 2 44.033 88.067 0.451 2.88 4 39.4 3.3
282 5 1 -11 44.058 88.115 0.451 2.88 4 40.9 3.5
283 4 2 -10 44.149 88.298 0.452 2.88 4 16.3 0.6
284 8 2 5 44.226 88.452 0.453 2.87 4 86.7 15.7
285 0 4 0 44.307 88.615 0.453 2.87 2 165.9 28.7
286 10 2 -3 44.313 88.627 0.453 2.87 4 23.3 1.1
287 10 2 0 44.364 88.728 0.454 2.86 4 9.1 0.2
288 2 0 -12 44.375 88.751 0.454 2.86 2 382.3 152.1
289 11 1 1 44.411 88.822 0.454 2.86 4 16.5 0.6
290 0 4 1 44.506 89.013 0.455 2.85 4 85.5 15.2
291 1 3 -8 44.532 89.064 0.455 2.85 4 32.2 2.2
292 7 1 8 44.574 89.148 0.456 2.85 4 125.1 32.4
293 8 0 -10 44.796 89.592 0.457 2.84 2 56.8 3.3
294 5 3 -7 44.935 89.87 0.458 2.83 4 100.4 20.8
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 0 2 6.769 13.538 6.53516 122.8 1.3 1.3 5.6
2 2 0 2 10.443 20.886 4.24962 179.6 1.9 1.9 5.6
3 1 1 2 12.947 25.894 3.43796 8039.7 84.4 84.7 5.6
4 4 0 0 14.022 28.044 3.17909 2505.7 26.3 26.4 5.6
5 2 0 -4 14.38 28.76 3.10162 2291.9 24.1 24.1 5.6
6 1 1 -3 14.443 28.886 3.08834 277.7 2.9 2.9 5.6
7 3 1 0 14.597 29.195 3.05635 113.0 1.2 1.2 5.6
8 3 1 -1 14.628 29.256 3.05013 800.4 8.4 8.4 5.6
9 1 1 3 15.188 30.376 2.94017 100.1 1.1 1.1 5.6
10 3 1 1 15.365 30.729 2.90714 149.6 1.6 1.6 5.6
11 3 1 -2 15.452 30.903 2.89118 9526.3 100.0 100.0 5.6
12 2 0 4 16.305 32.609 2.7437 4875.9 51.2 51.1 5.6
13 3 1 -3 16.964 33.929 2.63996 414.0 4.3 4.3 5.7
14 1 1 -5 19.88 39.76 2.26518 121.0 1.3 1.3 5.7
15 5 1 -1 20.298 40.596 2.22045 176.3 1.9 1.8 5.7
16 0 2 0 20.442 40.883 2.2055 1074.9 11.3 11.2 5.7
17 0 2 1 20.744 41.488 2.17476 497.9 5.2 5.2 5.7
18 3 1 -5 21.496 42.992 2.10208 102.6 1.1 1.1 5.7
19 2 2 1 22.16 44.319 2.04216 237.2 2.5 2.5 5.7
20 5 1 2 22.531 45.062 2.01021 2795.2 29.3 28.9 5.7
21 1 1 -6 23.008 46.016 1.97074 2793.2 29.3 28.9 5.7
22 0 2 3 23.045 46.09 1.96774 133.4 1.4 1.4 5.7
23 6 0 -4 23.73 47.46 1.91407 1597.9 16.8 16.5 5.7
24 5 1 3 24.316 48.632 1.87067 257.0 2.7 2.7 5.7
25 2 2 3 24.68 49.359 1.84479 126.0 1.3 1.3 5.7
26 4 2 0 25.155 50.31 1.81212 1678.5 17.6 17.3 5.8
27 2 2 -4 25.376 50.751 1.79741 1646.6 17.3 16.9 5.8
28 1 1 -7 26.339 52.677 1.73613 163.4 1.7 1.7 5.8
29 5 1 4 26.509 53.019 1.72576 108.9 1.1 1.1 5.8
30 2 2 4 26.622 53.244 1.71898 908.5 9.5 9.3 5.8
31 3 1 6 27.122 54.244 1.68962 962.6 10.1 9.9 5.8
32 7 1 -2 27.217 54.434 1.68418 980.2 10.3 10.0 5.8
33 6 0 4 27.511 55.023 1.66755 421.7 4.4 4.3 5.8
34 5 1 -6 27.633 55.266 1.66077 828.8 8.7 8.5 5.8
35 0 0 8 28.13 56.259 1.63379 367.3 3.9 3.8 5.8
36 2 2 5 28.943 57.886 1.59169 223.2 2.3 2.3 5.8
37 8 0 0 28.986 57.971 1.58955 692.5 7.3 7.1 5.8
38 4 0 -8 29.782 59.563 1.55081 707.9 7.4 7.2 5.8
39 6 2 -3 31.051 62.101 1.49339 197.6 2.1 2.0 5.8
40 1 3 -1 31.981 63.963 1.45434 99.1 1.0 1.0 5.9
41 6 2 -4 32.198 64.396 1.44559 432.6 4.5 4.4 5.9
42 1 3 2 32.845 65.689 1.42023 694.9 7.3 7.0 5.9
43 4 0 8 34.159 68.318 1.37185 487.1 5.1 4.9 5.9
44 6 2 4 35.387 70.774 1.33014 439.1 4.6 4.4 5.9
45 0 2 8 35.926 71.852 1.31282 451.4 4.7 4.5 5.9
46 8 2 0 36.679 73.358 1.28953 286.8 3.0 2.8 6.0
47 9 1 2 36.922 73.844 1.28224 331.7 3.5 3.3 6.0
48 4 2 -8 37.387 74.774 1.26859 363.3 3.8 3.6 6.0
49 3 1 -10 37.98 75.959 1.25171 317.7 3.3 3.1 6.0
50 10 0 -4 38.035 76.071 1.25016 154.2 1.6 1.5 6.0
51 7 1 6 38.075 76.151 1.24904 377.5 4.0 3.7 6.0
52 8 0 -8 38.56 77.12 1.23574 100.5 1.1 1.0 6.0
53 5 3 2 38.692 77.383 1.23219 126.8 1.3 1.2 6.0
54 1 1 10 38.774 77.548 1.22998 385.7 4.0 3.8 6.0
55 9 1 -6 38.932 77.864 1.22579 427.5 4.5 4.2 6.0
56 1 3 -6 39.04 78.08 1.22293 116.5 1.2 1.1 6.0
57 4 2 8 41.395 82.79 1.16489 242.5 2.5 2.4 6.1
58 3 3 6 42.234 84.467 1.14599 255.1 2.7 2.5 6.1
59 7 3 -2 42.311 84.622 1.14429 280.9 2.9 2.7 6.1
60 5 3 -6 42.653 85.305 1.13686 290.1 3.0 2.8 6.1
61 11 1 -2 42.981 85.962 1.12985 297.2 3.1 2.9 6.1
62 10 0 4 43.013 86.025 1.12918 131.3 1.4 1.3 6.1
63 7 1 -10 44.003 88.007 1.1088 320.1 3.4 3.1 6.2
64 2 0 -12 44.375 88.751 1.10141 152.1 1.6 1.5 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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