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
2, f-stephanite, s-miargyrite
(Ag,Cu)SbS(2)
Monoclinic C c Z = 8
Cc
12 .5 .1988
Ref.Str.:
Knowless 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.) = 741.53
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 0.2585 0.9568 0.6207 0.95 Sb = 1.00
2 0.7486 0.0526 0.3652 0.92 Sb = 1.00
3 0.1457 0.3754 0.6875 1.52 S = 1.00
4 0.8612 0.6709 0.2941 0.9 S = 1.00
5 0.1161 0.1815 0.4072 1.72 S = 1.00
6 0.8966 0.8399 0.5757 0.4 S = 1.00
7 0.0 0.0 0.25 1.16 Ag = 0.5 , Cu = 0.5
8 0.0091 0.5173 0.4996 1.21 Ag = 0.5 , Cu = 0.5
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2585 0.9568 0.6207
2 2 0.7486 0.0526 0.3652
3 3 0.1457 0.3754 0.6875
4 4 0.8612 0.6709 0.2941
5 5 0.1161 0.1815 0.4072
6 6 0.8966 0.8399 0.5757
7 7 0.0 0.0 0.25
8 8 0.0091 0.5173 0.4996
9 1 0.2585 0.0432 0.1207
10 2 0.7486 0.9474 0.8652
11 3 0.1457 0.6246 0.1875
12 4 0.8612 0.3291 0.7941
13 5 0.1161 0.8185 0.9072
14 6 0.8966 0.1601 0.0757
15 7 0.0 0.0 0.75
16 8 0.0091 0.4827 0.9996
17 1 0.7585 0.5432 0.1207
18 2 0.2486 0.4474 0.8652
19 3 0.6457 0.1246 0.1875
20 4 0.3612 0.8291 0.7941
21 5 0.6161 0.3185 0.9072
22 6 0.3966 0.6601 0.0757
23 7 0.5 0.5 0.75
24 8 0.5091 0.9827 0.9996
25 1 0.7585 0.4568 0.6207
26 2 0.2486 0.5526 0.3652
27 3 0.6457 0.8754 0.6875
28 4 0.3612 0.1709 0.2941
29 5 0.6161 0.6815 0.4072
30 6 0.3966 0.3399 0.5757
31 7 0.5 0.5 0.25
32 8 0.5091 0.0173 0.4996
X-ray density (g/cm cub.) = 4.86
MU (1/cm) = 931.694 Mass attenuation coefficient (cm**2/g) = 191.563
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Sb 3.264 4
2.5843 3
3.1379 3
2.5314 4
2.5849 6
2 Sb 3.264 3
2.4949 4
2.5373 3
2.4852 5
3 S 4.368 9
3.7662 5
3.9021 6
4.0752 6
4.119 4
3.5683 5
3.8661 5
3.5357 4
3.7819 4
3.749 6
4 S 4.368 9
4.0725 5
4.0215 5
3.7567 6
4.119 3
3.6871 6
3.7436 6
3.5357 3
3.7819 3
3.6866 5
5 S 4.368 8
3.7662 3
4.0215 4
4.0725 4
4.1341 6
3.5683 3
3.8661 3
3.6866 4
4.0067 6
6 S 4.368 8
4.0752 3
3.9021 3
3.7567 4
4.1341 5
3.6871 4
3.7436 4
3.749 3
4.0067 5
7 Ag ,Cu 3.54 5
2.4386 4
2.5016 5
3.5 3
2.7205 3
2.5801 6
8 Ag ,Cu 3.54 6
2.8877 3
3.1475 4
3.5319 5
2.4667 5
2.3596 6
3.5314 6
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 48.7 121.6
2 2 0 0 6.958 13.917 0.079 133.31 2 104.6 530.3
3 2 0 -2 8.965 17.93 0.101 79.43 2 15.6 7.1
4 2 0 2 10.443 20.887 0.118 57.96 2 91.7 177.1
5 1 1 0 10.651 21.303 0.12 55.64 4 20.5 17.0
6 1 1 -1 11.024 22.048 0.124 51.8 4 23.8 21.4
7 1 1 1 11.347 22.693 0.128 48.78 4 19.8 14.0
8 1 1 -2 12.373 24.746 0.139 40.69 4 71.9 153.1
9 1 1 2 12.947 25.894 0.145 36.98 4 481.3 6231.8
10 0 0 4 13.635 27.27 0.153 33.15 2 127.9 197.3
11 4 0 0 14.022 28.044 0.157 31.23 2 406.4 1875.8
12 2 0 -4 14.38 28.759 0.161 29.6 2 398.4 1708.9
13 1 1 -3 14.443 28.886 0.162 29.33 4 113.6 275.5
14 3 1 0 14.598 29.195 0.164 28.67 4 70.5 103.6
15 3 1 -1 14.628 29.256 0.164 28.54 4 196.1 798.4
16 4 0 -2 14.657 29.314 0.164 28.42 2 23.9 5.9
17 1 1 3 15.188 30.376 0.17 26.33 4 70.8 95.9
18 3 1 1 15.365 30.73 0.172 25.69 4 89.8 150.6
19 3 1 -2 15.451 30.903 0.173 25.38 4 657.7 7986.1
20 2 0 4 16.305 32.61 0.182 22.6 2 711.2 4157.2
21 4 0 2 16.554 33.107 0.185 21.87 2 31.2 7.7
22 3 1 2 16.831 33.662 0.188 21.09 4 70.5 76.3
23 3 1 -3 16.964 33.928 0.189 20.74 4 165.3 412.0
24 1 1 -4 16.997 33.993 0.19 20.65 4 28.7 12.4
25 1 1 4 17.856 35.713 0.199 18.54 4 9.7 1.3
26 4 0 -4 18.159 36.319 0.202 17.87 2 58.8 22.4
27 3 1 3 18.853 37.706 0.21 16.45 4 37.3 16.6
28 3 1 -4 19.022 38.044 0.212 16.13 4 6.1 0.4
29 1 1 -5 19.88 39.76 0.221 14.63 4 105.5 118.5
30 5 1 -1 20.298 40.596 0.225 13.97 4 131.5 175.7
31 0 2 0 20.442 40.883 0.227 13.75 2 400.3 801.3
32 5 1 0 20.463 40.927 0.227 13.72 4 71.5 51.0
33 0 0 6 20.708 41.416 0.23 13.36 2 16.1 1.3
34 5 1 -2 20.74 41.479 0.23 13.31 4 75.1 54.6
35 0 2 1 20.744 41.488 0.23 13.31 4 224.7 488.9
36 1 1 5 20.822 41.643 0.231 13.2 4 32.9 10.4
37 2 0 -6 20.865 41.729 0.231 13.14 2 46.0 10.1
38 5 1 1 21.224 42.448 0.235 12.64 4 76.4 53.7
39 4 0 4 21.256 42.511 0.235 12.6 2 74.5 25.4
40 3 1 4 21.3 42.6 0.236 12.54 4 25.6 6.0
41 6 0 0 21.312 42.624 0.236 12.53 2 68.7 21.5
42 6 0 -2 21.399 42.798 0.237 12.41 2 93.2 39.2
43 3 1 -5 21.496 42.991 0.238 12.29 4 107.7 103.6
44 0 2 2 21.63 43.259 0.239 12.12 4 32.1 9.1
45 2 2 0 21.695 43.39 0.24 12.03 4 32.2 9.1
46 5 1 -3 21.758 43.516 0.241 11.96 4 31.7 8.7
47 2 2 -1 21.806 43.612 0.241 11.9 4 86.3 64.4
48 2 2 1 22.16 44.319 0.245 11.47 4 167.5 234.2
49 2 2 -2 22.485 44.97 0.248 11.1 4 9.1 0.7
50 5 1 2 22.532 45.063 0.249 11.05 4 541.7 2359.5
51 2 0 6 22.992 45.984 0.254 10.56 2 141.8 77.2
52 1 1 -6 23.008 46.016 0.254 10.54 4 547.8 2301.2
53 0 2 3 23.045 46.09 0.254 10.5 4 132.1 133.4
54 2 2 2 23.172 46.344 0.255 10.37 4 23.1 4.0
55 5 1 -4 23.293 46.585 0.257 10.25 4 25.0 4.7
56 4 0 -6 23.423 46.847 0.258 10.12 2 32.0 3.8
57 6 0 2 23.488 46.976 0.259 10.06 2 31.5 3.6
58 2 2 -3 23.694 47.388 0.261 9.86 4 54.9 21.6
59 6 0 -4 23.73 47.459 0.261 9.83 2 622.9 1386.9
60 1 1 6 24.015 48.03 0.264 9.57 4 79.0 43.4
61 3 1 5 24.076 48.152 0.265 9.51 4 55.9 21.6
62 3 1 -6 24.294 48.588 0.267 9.32 4 95.6 62.0
63 5 1 3 24.317 48.633 0.267 9.3 4 182.4 225.1
64 2 2 3 24.68 49.36 0.271 8.99 4 137.1 122.9
65 0 2 4 24.921 49.842 0.274 8.79 4 22.4 3.2
66 4 2 -1 25.095 50.189 0.275 8.66 4 62.2 24.3
67 4 2 0 25.155 50.31 0.276 8.61 4 474.0 1406.9
68 5 1 -5 25.272 50.545 0.277 8.52 4 12.5 1.0
69 2 2 -4 25.375 50.751 0.278 8.44 4 474.5 1382.1
70 4 2 -2 25.549 51.098 0.28 8.31 4 54.6 18.0
71 4 2 1 25.728 51.457 0.282 8.18 4 32.5 6.3
72 1 1 -7 26.339 52.677 0.288 7.75 4 170.6 164.1
73 4 2 -3 26.499 52.999 0.29 7.65 4 69.7 27.0
74 5 1 4 26.51 53.02 0.29 7.64 4 117.2 76.3
75 2 2 4 26.622 53.245 0.291 7.57 4 364.4 730.7
76 4 2 2 26.79 53.58 0.293 7.46 4 56.6 17.4
77 7 1 -1 27.011 54.021 0.295 7.32 4 38.6 7.9
78 3 1 6 27.123 54.246 0.296 7.25 4 386.1 786.3
79 0 2 5 27.191 54.382 0.297 7.21 4 97.4 49.8
80 7 1 -2 27.217 54.434 0.297 7.19 4 372.1 724.6
81 4 0 6 27.237 54.474 0.297 7.18 2 118.0 36.4
82 7 1 0 27.295 54.59 0.298 7.15 4 38.6 7.7
83 3 1 -7 27.359 54.718 0.298 7.11 4 46.0 11.0
84 1 1 7 27.405 54.81 0.299 7.08 4 80.2 33.1
85 2 2 -5 27.469 54.938 0.299 7.05 4 43.3 9.6
86 6 0 4 27.512 55.024 0.3 7.02 2 365.9 341.8
87 5 1 -6 27.633 55.265 0.301 6.95 4 364.3 671.2
88 6 0 -6 27.871 55.743 0.303 6.82 2 47.6 5.6
89 7 1 -3 27.906 55.811 0.304 6.8 4 16.0 1.3
90 4 2 -4 27.911 55.821 0.304 6.79 4 55.4 15.2
91 2 0 -8 27.959 55.919 0.304 6.77 2 67.2 11.1
92 7 1 1 28.059 56.119 0.305 6.71 4 32.7 5.2
93 0 0 8 28.13 56.26 0.306 6.68 2 348.8 295.3
94 4 2 3 28.303 56.606 0.308 6.58 4 76.6 28.1
95 8 0 -2 28.765 57.531 0.312 6.35 2 127.7 37.6
96 2 2 5 28.943 57.887 0.314 6.26 4 222.1 224.5
97 8 0 0 28.986 57.972 0.315 6.24 2 514.0 599.4
98 5 1 5 29.055 58.109 0.315 6.2 4 28.4 3.7
99 7 1 -4 29.055 58.11 0.315 6.2 4 48.0 10.4
100 7 1 2 29.279 58.558 0.317 6.1 4 61.9 17.0
101 4 2 -5 29.74 59.48 0.322 5.89 4 109.4 51.2
102 4 0 -8 29.781 59.562 0.322 5.87 2 534.6 610.1
103 0 2 6 29.802 59.604 0.323 5.86 4 47.5 9.6
104 1 1 -8 29.859 59.719 0.323 5.83 4 64.0 17.4
105 2 2 -6 29.923 59.845 0.324 5.81 4 26.4 2.9
106 6 2 -1 30.074 60.147 0.325 5.74 4 84.1 29.5
107 4 2 4 30.225 60.45 0.327 5.68 4 58.4 14.1
108 6 2 0 30.269 60.537 0.327 5.66 4 15.8 1.0
109 2 0 8 30.271 60.542 0.327 5.66 2 113.4 26.5
110 5 1 -7 30.323 60.647 0.328 5.64 4 44.0 7.9
111 6 2 -2 30.337 60.673 0.328 5.63 4 55.3 12.5
112 8 0 -4 30.403 60.805 0.328 5.6 2 93.7 17.9
113 3 1 7 30.409 60.819 0.329 5.6 4 50.0 10.2
114 7 1 -5 30.632 61.263 0.331 5.51 4 22.5 2.0
115 3 1 -8 30.663 61.325 0.331 5.5 4 14.0 0.8
116 6 2 1 30.916 61.833 0.334 5.4 4 80.6 25.5
117 7 1 3 30.921 61.843 0.334 5.4 4 96.9 36.9
118 1 1 8 30.984 61.969 0.334 5.37 4 56.7 12.6
119 8 0 2 31.039 62.079 0.335 5.35 2 157.1 48.1
120 6 2 -3 31.05 62.101 0.335 5.35 4 194.3 146.9
121 2 2 6 31.599 63.199 0.34 5.15 4 25.2 2.4
122 1 3 0 31.828 63.656 0.342 5.07 4 15.0 0.8
123 5 1 6 31.911 63.821 0.343 5.04 4 70.5 18.2
124 4 2 -6 31.948 63.896 0.343 5.02 4 43.4 6.9
125 1 3 -1 31.981 63.963 0.344 5.01 4 142.3 73.9
126 6 2 2 32.001 64.001 0.344 5.01 4 80.9 23.8
127 1 3 1 32.118 64.236 0.345 4.97 4 127.3 58.5
128 6 2 -4 32.198 64.396 0.346 4.94 4 311.9 349.6
129 4 2 5 32.516 65.033 0.349 4.84 4 141.0 70.0
130 1 3 -2 32.575 65.149 0.349 4.82 4 32.7 3.7
131 7 1 -6 32.602 65.205 0.35 4.81 4 52.8 9.8
132 2 2 -7 32.699 65.397 0.351 4.78 4 65.9 15.1
133 0 2 7 32.719 65.439 0.351 4.77 4 82.6 23.7
134 1 3 2 32.845 65.689 0.352 4.73 4 414.9 592.5
135 6 0 6 32.942 65.884 0.353 4.7 2 25.7 1.1
136 7 1 4 32.952 65.904 0.353 4.7 4 92.7 29.4
137 5 1 -8 33.314 66.627 0.357 4.59 4 43.9 6.4
138 6 0 -8 33.394 66.788 0.357 4.57 2 128.5 27.4
139 6 2 3 33.499 66.998 0.358 4.54 4 89.9 26.7
140 1 1 -9 33.576 67.151 0.359 4.52 4 43.5 6.2
141 1 3 -3 33.595 67.19 0.359 4.51 4 127.0 52.9
142 3 3 0 33.677 67.353 0.36 4.49 4 27.4 2.5
143 3 3 -1 33.693 67.385 0.36 4.48 4 152.4 75.7
144 8 0 -6 33.736 67.471 0.36 4.47 2 33.1 1.8
145 6 2 -5 33.756 67.511 0.361 4.47 4 144.2 67.6
146 3 1 8 33.928 67.855 0.362 4.42 4 6.3 0.1
147 1 3 3 33.994 67.987 0.363 4.4 4 125.6 50.5
148 3 3 1 34.091 68.181 0.364 4.37 4 97.3 30.1
149 3 3 -2 34.138 68.277 0.364 4.36 4 193.6 118.9
150 4 0 8 34.16 68.32 0.364 4.36 2 418.9 278.0
151 3 1 -9 34.198 68.397 0.365 4.35 4 37.4 4.4
152 4 2 -7 34.503 69.006 0.368 4.27 4 136.4 57.7
153 9 1 -1 34.544 69.088 0.368 4.26 4 23.4 1.7
154 2 2 7 34.563 69.126 0.368 4.25 4 60.2 11.2
155 9 1 -2 34.591 69.183 0.369 4.24 4 41.5 5.3
156 8 0 4 34.738 69.476 0.37 4.21 2 69.5 7.4
157 1 1 9 34.765 69.53 0.37 4.2 4 29.0 2.6
158 9 1 0 34.922 69.843 0.372 4.16 4 45.4 6.2
159 3 3 2 34.927 69.855 0.372 4.16 4 30.0 2.7
160 7 1 -7 34.937 69.875 0.372 4.16 4 51.8 8.1
161 3 3 -3 35.006 70.012 0.372 4.14 4 130.3 51.1
162 1 3 -4 35.025 70.051 0.373 4.14 4 34.9 3.7
163 5 1 7 35.057 70.114 0.373 4.13 4 51.5 8.0
164 9 1 -3 35.063 70.126 0.373 4.13 4 42.2 5.4
165 4 2 6 35.149 70.299 0.374 4.11 4 7.9 0.2
166 7 1 5 35.343 70.686 0.375 4.06 4 22.4 1.5
167 6 2 4 35.388 70.775 0.376 4.05 4 353.9 369.3
168 1 3 4 35.546 71.092 0.377 4.02 4 58.9 10.2
169 6 2 -6 35.7 71.401 0.379 3.98 4 12.4 0.4
170 2 0 -10 35.703 71.405 0.379 3.98 2 59.8 5.2
171 9 1 1 35.718 71.437 0.379 3.98 4 56.4 9.2
172 2 2 -8 35.777 71.554 0.379 3.97 4 83.4 20.1
173 0 2 8 35.926 71.852 0.381 3.94 4 356.6 364.0
174 9 1 -4 35.952 71.904 0.381 3.93 4 78.7 17.7
175 0 0 10 36.11 72.22 0.383 3.9 2 51.3 3.7
176 3 3 3 36.174 72.348 0.383 3.88 4 143.7 58.3
177 3 3 -4 36.282 72.565 0.384 3.86 4 4.9 0.1
178 8 2 -1 36.374 72.748 0.385 3.84 4 76.5 16.3
179 8 2 -2 36.485 72.969 0.386 3.82 4 11.9 0.4
180 5 1 -9 36.591 73.181 0.387 3.8 4 20.9 1.2
181 8 2 0 36.679 73.359 0.388 3.78 4 291.9 234.3
182 10 0 -2 36.833 73.666 0.389 3.75 2 38.9 2.1
183 1 3 -5 36.846 73.691 0.389 3.75 4 133.2 48.4
184 9 1 2 36.923 73.846 0.39 3.73 4 318.7 275.9
185 8 2 -3 37.01 74.02 0.391 3.72 4 151.9 62.4
186 4 0 -10 37.058 74.117 0.391 3.71 2 57.7 4.5
187 5 3 -1 37.126 74.252 0.392 3.7 4 139.2 52.1
188 5 3 0 37.238 74.476 0.393 3.68 4 26.9 1.9
189 9 1 -5 37.246 74.491 0.393 3.67 4 121.3 39.3
190 10 0 0 37.282 74.565 0.393 3.67 2 59.2 4.7
191 4 2 -8 37.386 74.773 0.394 3.65 4 287.0 218.7
192 8 2 1 37.397 74.794 0.394 3.65 4 189.7 95.5
193 5 3 -2 37.427 74.854 0.394 3.64 4 25.7 1.7
194 1 3 5 37.483 74.967 0.395 3.63 4 110.6 32.3
195 1 1 -10 37.511 75.021 0.395 3.63 4 95.4 24.0
196 7 1 -8 37.617 75.233 0.396 3.61 4 40.3 4.3
197 6 2 5 37.646 75.292 0.396 3.6 4 20.6 1.1
198 3 1 9 37.689 75.379 0.397 3.6 4 48.2 6.1
199 5 3 1 37.762 75.524 0.398 3.58 4 109.6 31.3
200 3 3 4 37.815 75.63 0.398 3.57 4 59.6 9.2
201 2 2 8 37.826 75.651 0.398 3.57 4 41.6 4.5
202 8 2 -4 37.944 75.888 0.399 3.55 4 24.9 1.6
203 3 3 -5 37.952 75.904 0.399 3.55 4 113.3 33.2
204 3 1 -10 37.979 75.959 0.399 3.55 4 301.1 234.0
205 6 2 -7 38.012 76.025 0.4 3.54 4 127.3 41.7
206 10 0 -4 38.035 76.07 0.4 3.54 2 265.8 90.9
207 7 1 6 38.077 76.153 0.4 3.53 4 353.1 320.3
208 4 2 7 38.109 76.218 0.401 3.53 4 50.2 6.5
209 5 3 -3 38.137 76.275 0.401 3.52 4 116.6 34.8
210 2 0 10 38.259 76.518 0.402 3.5 2 5.0 0.0
211 5 1 8 38.492 76.983 0.404 3.47 4 30.0 2.3
212 8 2 2 38.519 77.038 0.404 3.46 4 51.4 6.6
213 9 1 3 38.522 77.044 0.404 3.46 4 28.1 2.0
214 8 0 -8 38.559 77.118 0.405 3.46 2 252.7 80.2
215 5 3 2 38.692 77.384 0.406 3.43 4 195.6 95.6
216 1 1 10 38.775 77.55 0.407 3.42 4 363.7 329.4
217 9 1 -6 38.931 77.862 0.408 3.4 4 386.5 369.4
218 1 3 -6 39.04 78.08 0.409 3.38 4 187.8 86.8
219 2 2 -9 39.155 78.31 0.41 3.37 4 97.4 23.3
220 5 3 -4 39.25 78.5 0.411 3.35 4 40.6 4.0
221 8 2 -5 39.277 78.553 0.411 3.35 4 63.4 9.8
222 10 0 2 39.363 78.726 0.412 3.34 2 142.7 24.7
223 0 2 9 39.425 78.85 0.412 3.33 4 30.3 2.2
224 6 0 8 39.572 79.143 0.414 3.31 2 79.7 7.6
225 1 3 6 39.791 79.582 0.415 3.28 4 49.3 5.8
226 3 3 5 39.837 79.675 0.416 3.28 4 103.6 25.6
227 8 0 6 39.891 79.783 0.416 3.27 2 22.7 0.6
228 3 3 -6 40.003 80.005 0.417 3.25 4 39.5 3.7
229 5 3 3 40.02 80.04 0.417 3.25 4 141.6 47.5
230 8 2 3 40.036 80.072 0.418 3.25 4 35.8 3.0
231 6 0 -10 40.113 80.225 0.418 3.24 2 21.9 0.6
232 5 1 -10 40.162 80.324 0.419 3.23 4 67.7 10.8
233 6 2 6 40.262 80.525 0.42 3.22 4 91.5 19.6
234 9 1 4 40.504 81.009 0.422 3.19 4 45.5 4.8
235 4 2 -9 40.596 81.192 0.422 3.18 4 165.3 63.2
236 7 1 -9 40.634 81.269 0.423 3.18 4 80.0 14.8
237 6 2 -8 40.682 81.363 0.423 3.17 4 32.0 2.4
238 5 3 -5 40.757 81.514 0.424 3.16 4 111.0 28.4
239 10 0 -6 40.84 81.681 0.424 3.16 2 33.8 1.3
240 9 1 -7 40.998 81.995 0.426 3.14 4 79.2 14.3
241 8 2 -6 40.999 81.999 0.426 3.14 4 38.4 3.4
242 7 1 7 41.149 82.298 0.427 3.12 4 119.3 32.3
243 4 2 8 41.396 82.792 0.429 3.1 4 284.4 182.2
244 2 2 9 41.397 82.793 0.429 3.1 4 96.6 21.0
245 1 3 -7 41.6 83.201 0.431 3.08 4 126.2 35.7
246 1 1 -11 41.706 83.412 0.432 3.07 4 55.7 6.9
247 3 1 10 41.726 83.453 0.432 3.06 4 83.8 15.7
248 5 3 4 41.738 83.476 0.432 3.06 4 30.3 2.0
249 8 2 4 41.939 83.878 0.434 3.04 4 26.0 1.5
250 3 1 -11 42.039 84.078 0.435 3.03 4 48.4 5.2
251 4 0 10 42.067 84.134 0.435 3.03 2 157.1 27.2
252 7 3 -1 42.143 84.286 0.436 3.03 4 113.4 28.3
253 5 1 9 42.233 84.466 0.436 3.02 4 70.6 10.9
254 3 3 6 42.234 84.468 0.436 3.02 4 305.7 205.1
255 7 3 -2 42.311 84.622 0.437 3.01 4 330.7 239.5
256 7 3 0 42.375 84.749 0.437 3.0 4 83.8 15.4
257 3 3 -7 42.427 84.854 0.438 3.0 4 120.7 31.8
258 1 3 7 42.465 84.93 0.438 3.0 4 131.4 37.6
259 5 3 -6 42.652 85.304 0.44 2.98 4 338.5 248.5
260 2 2 -10 42.852 85.704 0.441 2.97 4 25.3 1.4
261 9 1 5 42.864 85.729 0.442 2.96 4 41.8 3.8
262 7 3 -3 42.878 85.756 0.442 2.96 4 101.0 22.0
263 11 1 -2 42.981 85.962 0.443 2.96 4 334.5 240.5
264 7 3 1 43.006 86.011 0.443 2.95 4 88.5 16.8
265 10 0 4 43.014 86.028 0.443 2.95 2 322.5 111.7
266 11 1 -1 43.06 86.119 0.443 2.95 4 120.7 31.3
267 1 1 11 43.063 86.125 0.443 2.95 4 121.6 31.7
268 8 2 -7 43.107 86.214 0.444 2.95 4 38.5 3.2
269 6 2 7 43.238 86.477 0.445 2.94 4 70.1 10.5
270 0 2 10 43.24 86.48 0.445 2.94 4 57.4 7.0
271 11 1 -3 43.301 86.602 0.445 2.93 4 28.9 1.8
272 9 1 -8 43.442 86.885 0.446 2.92 4 49.3 5.2
273 11 1 0 43.537 87.074 0.447 2.91 4 108.8 25.1
274 6 2 -9 43.712 87.424 0.449 2.9 4 76.6 12.4
275 5 3 5 43.843 87.685 0.45 2.89 4 58.7 7.2
276 7 3 -4 43.843 87.686 0.45 2.89 4 51.3 5.6
277 10 2 -2 43.932 87.864 0.45 2.89 4 70.1 10.3
278 10 2 -1 43.949 87.898 0.45 2.89 4 52.9 5.9
279 7 1 -10 44.002 88.004 0.451 2.88 4 350.3 257.5
280 11 1 -4 44.019 88.039 0.451 2.88 4 90.1 17.0
281 7 3 2 44.034 88.068 0.451 2.88 4 19.2 0.8
282 5 1 -11 44.057 88.114 0.451 2.88 4 40.6 3.4
283 4 2 -10 44.148 88.297 0.452 2.88 4 15.0 0.5
284 8 2 5 44.227 88.454 0.453 2.87 4 84.8 15.0
285 0 4 0 44.307 88.615 0.453 2.87 2 139.3 20.2
286 10 2 -3 44.313 88.626 0.453 2.87 4 21.6 1.0
287 10 2 0 44.364 88.728 0.454 2.86 4 29.9 1.9
288 2 0 -12 44.375 88.751 0.454 2.86 2 355.9 131.8
289 11 1 1 44.412 88.824 0.454 2.86 4 15.9 0.5
290 0 4 1 44.506 89.013 0.455 2.85 4 83.6 14.5
291 1 3 -8 44.532 89.064 0.455 2.85 4 32.9 2.3
292 7 1 8 44.575 89.151 0.456 2.85 4 121.4 30.6
293 8 0 -10 44.795 89.589 0.457 2.84 2 51.3 2.7
294 5 3 -7 44.935 89.869 0.458 2.83 4 98.5 20.0
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 6.53511 121.6 1.5 1.5 5.6
2 2 0 0 6.958 13.917 6.35814 530.3 6.6 6.7 5.6
3 2 0 2 10.443 20.887 4.24949 177.1 2.2 2.2 5.6
4 1 1 -2 12.373 24.746 3.59484 153.1 1.9 1.9 5.6
5 1 1 2 12.947 25.894 3.43792 6231.8 78.0 78.3 5.6
6 0 0 4 13.635 27.27 3.26755 197.3 2.5 2.5 5.6
7 4 0 0 14.022 28.044 3.17907 1875.8 23.5 23.5 5.6
8 2 0 -4 14.38 28.759 3.10167 1708.9 21.4 21.4 5.6
9 1 1 -3 14.443 28.886 3.08835 275.5 3.4 3.5 5.6
10 3 1 0 14.598 29.195 3.05633 103.6 1.3 1.3 5.6
11 3 1 -1 14.628 29.256 3.05014 798.4 10.0 10.0 5.6
12 1 1 3 15.188 30.376 2.94013 95.9 1.2 1.2 5.6
13 3 1 1 15.365 30.73 2.90711 150.6 1.9 1.9 5.6
14 3 1 -2 15.451 30.903 2.89121 7986.1 100.0 100.0 5.6
15 2 0 4 16.305 32.61 2.74362 4157.2 52.1 52.0 5.6
16 3 1 -3 16.964 33.928 2.64 412.0 5.2 5.1 5.7
17 1 1 -5 19.88 39.76 2.26518 118.5 1.5 1.5 5.7
18 5 1 -1 20.298 40.596 2.22046 175.7 2.2 2.2 5.7
19 0 2 0 20.442 40.883 2.2055 852.3 10.7 10.6 5.7
20 0 2 1 20.744 41.488 2.17476 543.6 6.8 6.7 5.7
21 3 1 -5 21.496 42.991 2.10211 103.6 1.3 1.3 5.7
22 2 2 1 22.16 44.319 2.04216 234.2 2.9 2.9 5.7
23 5 1 2 22.532 45.063 2.01017 2359.5 29.5 29.1 5.7
24 1 1 -6 23.008 46.016 1.97075 2378.4 29.8 29.3 5.7
25 0 2 3 23.045 46.09 1.96773 133.4 1.7 1.6 5.7
26 6 0 -4 23.73 47.459 1.91411 1386.9 17.4 17.1 5.7
27 5 1 3 24.317 48.633 1.87062 287.1 3.6 3.5 5.7
28 2 2 3 24.68 49.36 1.84478 122.9 1.5 1.5 5.7
29 4 2 0 25.155 50.31 1.81212 1406.9 17.6 17.3 5.8
30 2 2 -4 25.375 50.751 1.79742 1382.1 17.3 17.0 5.8
31 1 1 -7 26.339 52.677 1.73613 164.1 2.1 2.0 5.8
32 5 1 4 26.51 53.02 1.72572 103.4 1.3 1.3 5.8
33 2 2 4 26.622 53.245 1.71896 730.7 9.1 8.9 5.8
34 3 1 6 27.123 54.246 1.68958 786.3 9.8 9.6 5.8
35 7 1 -2 27.217 54.434 1.68419 810.8 10.2 9.9 5.8
36 6 0 4 27.512 55.024 1.6675 341.8 4.3 4.2 5.8
37 5 1 -6 27.633 55.265 1.6608 671.2 8.4 8.2 5.8
38 0 0 8 28.13 56.26 1.63378 295.3 3.7 3.6 5.8
39 2 2 5 28.943 57.887 1.59167 224.5 2.8 2.7 5.8
40 8 0 0 28.986 57.972 1.58953 599.4 7.5 7.3 5.8
41 4 0 -8 29.781 59.562 1.55083 619.8 7.8 7.5 5.8
42 6 2 -3 31.05 62.101 1.4934 195.0 2.4 2.4 5.8
43 1 3 -1 31.981 63.963 1.45434 97.7 1.2 1.2 5.9
44 6 2 -4 32.198 64.396 1.4456 349.6 4.4 4.2 5.9
45 1 3 2 32.845 65.689 1.42023 592.5 7.4 7.1 5.9
46 4 0 8 34.16 68.32 1.37181 396.9 5.0 4.7 5.9
47 6 2 4 35.388 70.775 1.33012 369.3 4.6 4.4 5.9
48 0 2 8 35.926 71.852 1.31281 381.7 4.8 4.5 5.9
49 8 2 0 36.679 73.359 1.28953 234.3 2.9 2.8 6.0
50 9 1 2 36.923 73.846 1.28222 275.9 3.5 3.3 6.0
51 4 2 -8 37.386 74.773 1.2686 314.2 3.9 3.7 6.0
52 3 1 -10 37.979 75.959 1.25172 268.8 3.4 3.2 6.0
53 10 0 -4 38.035 76.07 1.25017 132.6 1.7 1.6 6.0
54 7 1 6 38.077 76.153 1.24901 320.3 4.0 3.8 6.0
55 8 0 -8 38.559 77.118 1.23577 80.2 1.0 0.9 6.0
56 5 3 2 38.692 77.384 1.23218 95.6 1.2 1.1 6.0
57 1 1 10 38.775 77.55 1.22997 329.4 4.1 3.9 6.0
58 9 1 -6 38.931 77.862 1.22581 369.4 4.6 4.3 6.0
59 1 3 -6 39.04 78.08 1.22293 86.8 1.1 1.0 6.0
60 4 2 8 41.396 82.792 1.16486 203.2 2.5 2.4 6.1
61 3 3 6 42.234 84.468 1.14597 216.1 2.7 2.5 6.1
62 7 3 -2 42.311 84.622 1.14429 239.5 3.0 2.8 6.1
63 5 3 -6 42.652 85.304 1.13687 248.5 3.1 2.9 6.1
64 11 1 -2 42.981 85.962 1.12985 257.3 3.2 3.0 6.1
65 10 0 4 43.014 86.028 1.12915 111.7 1.4 1.3 6.1
66 7 1 -10 44.002 88.004 1.10882 274.5 3.4 3.1 6.2
67 2 0 -12 44.375 88.751 1.10141 133.7 1.7 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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