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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RAMDOHRITE
1, DF
Pb(4)Ag(4)Sb(12)S(24)
Orthorhombic B bmm Z = 1
R =0.186
9 .4 .1990
Ref.Str.:
I.Kawada, E.Hellener (1971)
* Neues Jb. Miner., Mh., 551-560
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.0 alpha = 90.0
b = 19.15 beta = 90.0
c = 4.3 gamma = 90.0
Unit cell volume (cub. angs.) = 1070.48
Molar volume ( cub.cm/mol.) = 644.79
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3339 0.75 0.0 3.13 Pb = 1.00
2 0.1271 0.4481 0.0 1.34 Sb = 1.00
3 0.402 0.3656 0.0 4.45 Sb = 0.5 , Ag = 0.5
4 0.0235 0.341 0.0 2.38 S = 1.00
5 0.2615 0.5993 0.0 4.0 S = 1.00
6 0.3158 0.25 0.0 3.93 S = 1.00
7 0.4713 0.4915 0.0 4.87 S = 0.5 , S = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3339 0.75 0.0
2 2 0.1271 0.4481 0.0
3 3 0.402 0.3656 0.0
4 4 0.0235 0.341 0.0
5 5 0.2615 0.5993 0.0
6 6 0.3158 0.25 0.0
7 7 0.4713 0.4915 0.0
8 1 0.6661 0.25 0.0
9 2 0.8729 0.5519 0.0
10 3 0.598 0.6344 0.0
11 4 0.9765 0.659 0.0
12 5 0.7385 0.4007 0.0
13 6 0.6842 0.75 0.0
14 7 0.5287 0.5085 0.0
15 2 0.1271 0.0519 0.0
16 3 0.402 0.1344 0.0
17 4 0.0235 0.159 0.0
18 5 0.2615 0.9007 0.0
19 7 0.4713 0.0085 0.0
20 2 0.8729 0.9481 0.0
21 3 0.598 0.8656 0.0
22 4 0.9765 0.841 0.0
23 5 0.7385 0.0993 0.0
24 7 0.5287 0.9915 0.0
25 1 0.1661 0.25 0.5
26 2 0.3729 0.9481 0.5
27 3 0.098 0.8656 0.5
28 4 0.4765 0.841 0.5
29 5 0.2385 0.0993 0.5
30 6 0.1842 0.75 0.5
31 7 0.0287 0.9915 0.5
32 1 0.8339 0.75 0.5
33 2 0.6271 0.0519 0.5
34 3 0.902 0.1344 0.5
35 4 0.5235 0.159 0.5
36 5 0.7615 0.9007 0.5
37 6 0.8158 0.25 0.5
38 7 0.9713 0.0085 0.5
39 2 0.3729 0.5519 0.5
40 3 0.098 0.6344 0.5
41 4 0.4765 0.659 0.5
42 5 0.2385 0.4007 0.5
43 7 0.0287 0.5085 0.5
44 2 0.6271 0.4481 0.5
45 3 0.902 0.3656 0.5
46 4 0.5235 0.341 0.5
47 5 0.7615 0.5993 0.5
48 7 0.9713 0.4915 0.5
X-ray density (g/cm cub.) = 5.41
MU (1/cm) = 1162.047 Mass attenuation coefficient (cm**2/g) = 214.675
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.696 8
3.0364 5
3.0364 5
3.3311 4
3.3311 4
2.8995 6
2.8995 6
3.3311 4
3.3311 4
2 Sb 3.264 7
2.4536 4
2.7463 5
2.7463 5
2.7562 7
2.7562 7
3.0685 7
3.0685 7
3 Sb ,Ag 3.54 7
2.4804 6
2.5749 7
3.1951 7
3.0971 5
3.0971 5
2.7093 4
2.7093 4
4 S 4.368 13
4.3 4
4.3 4
4.1798 6
3.8777 5
3.4853 4
3.867 6
3.867 6
3.7073 5
3.7073 5
3.8621 7
3.8621 7
3.6591 7
3.6591 7
5 S 4.368 11
4.3 5
4.3 5
3.42 7
3.8777 4
3.8841 7
3.737 6
3.737 6
3.7073 4
3.7073 4
4.099 7
4.099 7
6 S 4.368 12
4.1798 4
4.3 6
4.3 6
4.1798 4
3.737 5
3.737 5
3.867 4
3.867 4
3.737 5
3.737 5
3.867 4
3.867 4
7 S ,S 4.368 11
3.42 5
4.3 7
4.3 7
3.8841 5
0.8141 7
3.8621 4
3.8621 4
4.099 5
4.099 5
3.6591 4
3.6591 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 0 2 0 4.614 9.229 0.052 306.05 2 44.4 105.1
2 2 0 0 6.806 13.612 0.077 139.46 2 21.4 11.2
3 2 1 0 7.189 14.378 0.081 124.75 4 114.9 575.2
4 2 2 0 8.235 16.47 0.093 94.55 4 128.9 548.6
5 0 4 0 9.259 18.518 0.104 74.33 2 10.5 1.4
6 2 3 0 9.737 19.474 0.11 67.0 4 65.6 100.8
7 1 0 1 10.876 21.752 0.122 53.28 4 130.4 316.2
8 1 1 1 11.123 22.246 0.125 50.84 8 9.1 3.0
9 2 4 0 11.527 23.054 0.13 47.2 4 213.6 751.6
10 1 2 1 11.836 23.672 0.133 44.66 8 286.7 2562.7
11 1 3 1 12.942 25.884 0.145 37.01 8 398.6 4105.5
12 2 5 0 13.499 26.999 0.152 33.86 4 750.4 6653.9
13 4 0 0 13.71 27.42 0.154 32.76 2 504.7 1456.7
14 4 1 0 13.91 27.82 0.156 31.77 4 290.9 938.2
15 0 6 0 13.966 27.931 0.157 31.5 2 261.8 376.7
16 1 4 1 14.357 28.714 0.161 29.7 8 54.5 61.5
17 4 2 0 14.495 28.989 0.162 29.1 4 76.7 59.8
18 3 0 1 14.617 29.235 0.164 28.58 4 195.5 381.2
19 3 1 1 14.806 29.612 0.166 27.81 8 351.5 2399.2
20 3 2 1 15.36 30.719 0.172 25.71 8 550.0 5429.0
21 4 3 0 15.424 30.848 0.173 25.48 4 28.2 7.1
22 2 6 0 15.597 31.194 0.175 24.87 4 376.4 1229.9
23 1 5 1 16.008 32.016 0.179 23.52 8 95.4 149.6
24 3 3 1 16.244 32.488 0.182 22.78 8 437.4 3043.2
25 4 4 0 16.646 33.292 0.186 21.61 4 80.0 48.3
26 3 4 1 17.415 34.83 0.194 19.58 8 41.1 23.1
27 2 7 0 17.787 35.575 0.198 18.7 4 155.0 156.8
28 1 6 1 17.839 35.678 0.199 18.58 8 22.9 6.8
29 4 5 0 18.11 36.22 0.202 17.98 4 78.8 39.0
30 0 8 0 18.771 37.542 0.209 16.61 2 270.2 211.7
31 3 5 1 18.826 37.653 0.209 16.51 8 53.2 32.7
32 4 6 0 19.771 39.542 0.22 14.81 4 188.4 183.5
33 1 7 1 19.812 39.624 0.22 14.74 8 341.2 1197.9
34 2 8 0 20.055 40.109 0.223 14.35 4 52.1 13.6
35 5 0 1 20.256 40.511 0.225 14.03 4 75.6 28.0
36 5 1 1 20.398 40.796 0.226 13.82 8 116.6 131.2
37 3 6 1 20.438 40.875 0.227 13.76 8 116.2 129.7
38 5 2 1 20.82 41.64 0.231 13.2 8 98.6 89.6
39 6 0 0 20.825 41.65 0.231 13.19 2 59.5 8.2
40 6 1 0 20.964 41.928 0.232 13.0 4 39.1 6.9
41 0 0 2 20.994 41.988 0.233 12.95 2 945.7 2022.1
42 6 2 0 21.377 42.754 0.237 12.44 4 216.6 203.6
43 5 3 1 21.508 43.017 0.238 12.27 8 384.0 1263.1
44 0 2 2 21.542 43.085 0.238 12.23 4 17.9 1.4
45 4 7 0 21.595 43.189 0.239 12.16 4 221.3 207.9
46 1 8 1 21.902 43.805 0.242 11.78 8 491.2 1984.1
47 6 3 0 22.051 44.102 0.244 11.6 4 110.9 49.8
48 2 0 2 22.17 44.34 0.245 11.46 4 21.6 1.9
49 3 7 1 22.217 44.433 0.245 11.41 8 45.2 16.3
50 2 1 2 22.303 44.605 0.246 11.31 8 105.7 88.2
51 2 9 0 22.39 44.781 0.247 11.21 4 2.4 0.0
52 5 4 1 22.443 44.887 0.248 11.15 8 426.0 1412.9
53 2 2 2 22.696 45.392 0.25 10.87 8 85.8 55.8
54 6 4 0 22.969 45.937 0.253 10.58 4 439.7 714.0
55 0 4 2 23.125 46.25 0.255 10.42 4 23.2 2.0
56 2 3 2 23.34 46.68 0.257 10.2 8 25.7 4.7
57 4 8 0 23.556 47.113 0.259 9.99 4 13.0 0.6
58 5 5 1 23.602 47.205 0.26 9.95 8 100.9 70.8
59 0 10 0 23.718 47.436 0.261 9.84 2 585.1 588.0
60 1 9 1 24.094 48.188 0.265 9.49 8 62.9 26.2
61 6 5 0 24.108 48.216 0.265 9.48 4 444.7 654.5
62 3 8 1 24.138 48.277 0.265 9.45 8 414.3 1132.7
63 2 4 2 24.219 48.438 0.266 9.38 8 152.7 152.8
64 2 10 0 24.792 49.584 0.272 8.9 4 7.5 0.2
65 5 6 1 24.963 49.925 0.274 8.76 8 299.4 548.3
66 2 5 2 25.316 50.632 0.278 8.48 8 546.5 1768.9
67 4 0 2 25.44 50.881 0.279 8.39 4 383.8 431.5
68 6 6 0 25.448 50.896 0.279 8.38 4 178.8 93.6
69 4 1 2 25.56 51.119 0.28 8.3 8 205.6 245.0
70 0 6 2 25.593 51.186 0.28 8.28 4 200.9 116.6
71 4 9 0 25.639 51.278 0.281 8.24 4 233.4 156.7
72 4 2 2 25.915 51.83 0.284 8.04 8 78.2 34.4
73 3 9 1 26.186 52.373 0.286 7.86 8 187.6 192.9
74 1 10 1 26.378 52.756 0.288 7.73 8 68.0 25.0
75 4 3 2 26.5 53.0 0.29 7.65 8 33.8 6.1
76 5 7 1 26.503 53.007 0.29 7.64 8 209.5 234.3
77 2 6 2 26.611 53.223 0.291 7.57 8 254.4 342.1
78 7 0 1 26.859 53.718 0.293 7.41 4 233.1 140.6
79 6 7 0 26.969 53.938 0.294 7.35 4 204.2 106.9
80 7 1 1 26.974 53.948 0.294 7.34 8 229.8 270.6
81 2 11 0 27.262 54.523 0.297 7.17 4 280.8 197.3
82 4 4 2 27.304 54.608 0.298 7.14 8 74.1 27.4
83 7 2 1 27.316 54.633 0.298 7.14 8 216.7 233.9
84 4 10 0 27.831 55.662 0.303 6.84 4 436.5 454.9
85 7 3 1 27.881 55.762 0.304 6.81 8 51.2 12.5
86 2 7 2 28.088 56.176 0.306 6.7 8 120.6 68.0
87 5 8 1 28.207 56.414 0.307 6.63 8 167.8 130.4
88 8 0 0 28.295 56.591 0.308 6.59 2 245.0 69.0
89 4 5 2 28.315 56.63 0.308 6.58 8 70.5 22.8
90 3 10 1 28.349 56.699 0.308 6.56 8 91.0 37.9
91 8 1 0 28.406 56.813 0.309 6.53 4 307.5 215.5
92 6 8 0 28.654 57.308 0.311 6.4 4 30.8 2.1
93 7 4 1 28.659 57.317 0.311 6.4 8 142.2 90.3
94 8 2 0 28.737 57.475 0.312 6.36 4 298.3 197.6
95 1 11 1 28.751 57.503 0.312 6.35 8 24.6 2.7
96 0 8 2 28.788 57.575 0.313 6.33 4 160.2 56.8
97 0 12 0 28.861 57.721 0.313 6.3 2 28.7 0.9
98 8 3 0 29.284 58.568 0.318 6.1 4 45.6 4.4
99 4 6 2 29.52 59.039 0.32 5.99 8 152.1 96.7
100 7 5 1 29.639 59.279 0.321 5.93 8 171.3 121.5
101 2 8 2 29.731 59.462 0.322 5.89 8 43.1 7.6
102 2 12 0 29.803 59.606 0.323 5.86 4 87.6 15.7
103 8 4 0 30.038 60.077 0.325 5.76 4 114.0 26.1
104 5 9 1 30.06 60.121 0.325 5.75 8 151.8 92.5
105 4 11 0 30.128 60.257 0.326 5.72 4 57.7 6.6
106 6 0 2 30.313 60.626 0.328 5.64 4 60.3 7.2
107 6 1 2 30.419 60.839 0.329 5.6 8 17.2 1.2
108 6 9 0 30.49 60.98 0.329 5.57 4 13.2 0.3
109 3 11 1 30.622 61.244 0.331 5.52 8 31.8 3.9
110 6 2 2 30.737 61.474 0.332 5.47 8 160.8 98.7
111 7 6 1 30.812 61.623 0.332 5.44 8 31.7 3.8
112 4 7 2 30.905 61.811 0.333 5.4 8 162.9 100.1
113 8 5 0 30.992 61.984 0.334 5.37 4 33.5 2.1
114 1 12 1 31.215 62.43 0.336 5.29 8 77.7 22.3
115 6 3 2 31.262 62.524 0.337 5.27 8 105.1 40.6
116 2 9 2 31.529 63.058 0.339 5.17 8 21.5 1.7
117 6 4 2 31.989 63.977 0.344 5.01 8 313.3 343.3
118 5 10 1 32.053 64.107 0.344 4.99 8 96.6 32.5
119 8 6 0 32.135 64.271 0.345 4.96 4 10.4 0.2
120 7 7 1 32.165 64.329 0.346 4.95 8 46.1 7.3
121 2 13 0 32.423 64.846 0.348 4.87 4 58.7 5.9
122 4 8 2 32.461 64.923 0.348 4.85 8 32.5 3.6
123 6 10 0 32.468 64.936 0.348 4.85 4 170.6 49.3
124 4 12 0 32.529 65.059 0.349 4.83 4 232.3 91.0
125 0 10 2 32.592 65.184 0.35 4.81 4 455.1 347.8
126 1 0 3 32.729 65.457 0.351 4.77 4 15.3 0.4
127 1 1 3 32.83 65.661 0.352 4.74 8 10.4 0.4
128 6 5 2 32.91 65.82 0.353 4.71 8 345.8 393.4
129 3 12 1 33.002 66.005 0.354 4.68 8 280.0 256.3
130 1 2 3 33.135 66.27 0.355 4.64 8 176.0 100.5
131 8 7 0 33.459 66.918 0.358 4.55 4 108.1 18.6
132 2 10 2 33.473 66.945 0.358 4.55 8 3.4 0.0
133 1 3 3 33.639 67.279 0.36 4.5 8 240.5 181.6
134 7 8 1 33.689 67.377 0.36 4.48 8 167.5 87.8
135 1 13 1 33.773 67.546 0.361 4.46 8 355.0 392.5
136 6 6 2 34.018 68.037 0.363 4.39 8 133.4 54.6
137 4 9 2 34.178 68.356 0.365 4.35 8 170.0 87.8
138 5 11 1 34.181 68.362 0.365 4.35 8 86.9 22.9
139 9 0 1 34.233 68.465 0.365 4.34 4 170.3 43.9
140 0 14 0 34.272 68.545 0.366 4.33 2 99.9 7.5
141 9 1 1 34.332 68.664 0.366 4.31 8 12.4 0.5
142 1 4 3 34.339 68.679 0.366 4.31 8 22.0 1.5
143 3 0 3 34.475 68.949 0.367 4.27 4 73.8 8.1
144 3 1 3 34.574 69.148 0.368 4.25 8 175.3 91.1
145 6 11 0 34.582 69.165 0.368 4.25 4 78.3 9.1
146 9 2 1 34.63 69.26 0.369 4.24 8 42.3 5.3
147 3 2 3 34.871 69.742 0.371 4.18 8 312.2 284.2
148 8 8 0 34.954 69.909 0.372 4.16 4 231.1 77.5
149 4 13 0 35.037 70.075 0.373 4.14 4 10.9 0.2
150 9 3 1 35.124 70.248 0.373 4.12 8 88.0 22.2
151 2 14 0 35.132 70.264 0.374 4.11 4 160.5 37.0
152 1 5 3 35.23 70.459 0.374 4.09 8 20.4 1.2
153 6 7 2 35.306 70.613 0.375 4.07 8 164.4 76.8
154 3 3 3 35.363 70.727 0.376 4.06 8 236.6 158.7
155 7 9 1 35.376 70.752 0.376 4.06 8 233.0 153.7
156 3 13 1 35.494 70.988 0.377 4.03 8 207.0 120.5
157 2 11 2 35.558 71.116 0.377 4.02 8 220.7 136.5
158 9 4 1 35.811 71.622 0.38 3.96 8 277.4 212.8
159 3 4 3 36.048 72.096 0.382 3.91 8 26.3 1.9
160 4 10 2 36.05 72.1 0.382 3.91 8 340.3 316.1
161 1 6 3 36.305 72.61 0.384 3.86 8 14.9 0.6
162 10 0 0 36.336 72.673 0.385 3.85 2 10.5 0.1
163 10 1 0 36.433 72.867 0.386 3.83 4 35.7 1.7
164 1 14 1 36.434 72.868 0.386 3.83 8 25.7 1.8
165 5 12 1 36.442 72.883 0.386 3.83 8 58.4 9.1
166 8 0 2 36.454 72.909 0.386 3.83 4 201.1 54.0
167 8 1 2 36.551 73.102 0.387 3.81 8 229.4 139.8
168 8 9 0 36.616 73.231 0.387 3.79 4 252.1 84.1
169 9 5 1 36.686 73.371 0.388 3.78 8 172.4 78.4
170 10 2 0 36.724 73.448 0.388 3.77 4 7.6 0.1
171 6 8 2 36.768 73.536 0.389 3.76 8 29.6 2.3
172 6 12 0 36.832 73.665 0.389 3.75 4 225.7 66.7
173 8 2 2 36.841 73.683 0.389 3.75 8 239.6 150.3
174 3 5 3 36.921 73.841 0.39 3.73 8 11.5 0.3
175 0 12 2 36.95 73.9 0.39 3.73 4 27.0 1.0
176 10 3 0 37.206 74.412 0.393 3.68 4 291.1 108.9
177 7 10 1 37.222 74.444 0.393 3.68 8 125.3 40.3
178 8 3 2 37.323 74.646 0.394 3.66 8 38.2 3.7
179 1 7 3 37.559 75.119 0.396 3.62 8 212.6 114.1
180 4 14 0 37.66 75.32 0.397 3.6 4 14.8 0.3
181 9 6 1 37.744 75.488 0.397 3.59 8 179.7 80.9
182 2 12 2 37.784 75.568 0.398 3.58 8 62.7 9.8
183 5 0 3 37.854 75.709 0.398 3.57 4 78.5 7.7
184 10 4 0 37.878 75.756 0.399 3.56 4 158.5 31.2
185 2 15 0 37.943 75.886 0.399 3.55 4 293.7 107.0
186 5 1 3 37.95 75.9 0.399 3.55 8 63.0 9.8
187 3 6 3 37.977 75.954 0.399 3.55 8 52.3 6.8
188 8 4 2 37.994 75.988 0.4 3.54 8 79.8 15.8
189 4 11 2 38.074 76.149 0.4 3.53 8 45.9 5.2
190 3 14 1 38.104 76.208 0.401 3.53 8 102.5 25.9
191 5 2 3 38.236 76.473 0.402 3.51 8 69.3 11.7
192 6 9 2 38.399 76.797 0.403 3.48 8 3.7 0.0
193 8 10 0 38.439 76.878 0.404 3.47 4 116.7 16.5
194 5 3 3 38.712 77.424 0.406 3.43 8 237.2 134.8
195 10 5 0 38.735 77.471 0.406 3.43 4 48.6 2.8
196 5 13 1 38.839 77.677 0.407 3.41 8 207.3 102.4
197 8 5 2 38.851 77.702 0.407 3.41 8 16.8 0.7
198 9 7 1 38.983 77.965 0.408 3.39 8 217.5 112.1
199 1 8 3 38.989 77.979 0.408 3.39 8 281.2 187.2
200 1 15 1 39.21 78.42 0.41 3.36 8 39.6 3.7
201 3 7 3 39.213 78.426 0.41 3.36 8 52.2 6.4
202 6 13 0 39.221 78.442 0.41 3.36 4 119.7 16.8
203 7 11 1 39.225 78.45 0.41 3.36 8 109.1 27.9
204 5 4 3 39.375 78.751 0.412 3.34 8 229.0 122.2
205 10 6 0 39.776 79.552 0.415 3.28 4 118.7 16.1
206 8 6 2 39.891 79.781 0.416 3.27 8 2.3 0.0
207 0 16 0 40.059 80.118 0.418 3.25 2 222.7 28.1
208 2 13 2 40.154 80.309 0.419 3.24 8 23.5 1.2
209 6 10 2 40.196 80.391 0.419 3.23 8 137.0 42.3
210 5 5 3 40.224 80.447 0.419 3.23 8 81.0 14.8
211 4 12 2 40.252 80.504 0.419 3.22 8 185.2 77.2
212 9 8 1 40.397 80.795 0.421 3.21 8 52.6 6.2
213 4 15 0 40.409 80.817 0.421 3.2 4 91.7 9.4
214 8 11 0 40.423 80.847 0.421 3.2 4 147.0 24.2
215 1 9 3 40.592 81.184 0.422 3.18 8 26.0 1.5
216 3 8 3 40.626 81.251 0.423 3.18 8 255.2 144.6
217 3 15 1 40.844 81.688 0.425 3.16 8 88.5 17.2
218 2 16 0 40.874 81.748 0.425 3.15 4 52.0 3.0
219 10 7 0 40.997 81.994 0.426 3.14 4 217.4 51.8
220 8 7 2 41.111 82.222 0.427 3.13 8 78.3 13.4
221 5 6 3 41.255 82.51 0.428 3.11 8 177.0 68.0
222 5 14 1 41.379 82.759 0.429 3.1 8 163.5 57.8
223 7 12 1 41.387 82.773 0.429 3.1 8 163.1 57.5
224 6 14 0 41.756 83.512 0.432 3.06 4 152.9 25.0
225 0 14 2 41.87 83.739 0.433 3.05 4 84.8 7.7
226 9 9 1 41.988 83.975 0.434 3.04 8 12.4 0.3
227 1 16 1 42.118 84.237 0.435 3.03 8 88.2 16.5
228 6 11 2 42.16 84.32 0.436 3.02 8 65.0 8.9
229 3 9 3 42.214 84.428 0.436 3.02 8 99.9 21.0
230 1 10 3 42.367 84.734 0.437 3.01 8 68.5 9.8
231 10 8 0 42.397 84.794 0.438 3.0 4 46.9 2.3
232 5 7 3 42.467 84.935 0.438 3.0 8 141.8 42.1
233 8 8 2 42.51 85.02 0.439 2.99 8 193.6 78.3
234 11 0 1 42.528 85.055 0.439 2.99 4 265.5 73.6
235 8 12 0 42.572 85.144 0.439 2.99 4 183.9 35.3
236 4 13 2 42.588 85.177 0.439 2.99 8 12.0 0.3
237 11 1 1 42.621 85.241 0.44 2.98 8 207.6 89.8
238 2 14 2 42.678 85.356 0.44 2.98 8 120.9 30.4
239 7 0 3 42.754 85.507 0.441 2.97 4 153.2 24.3
240 7 1 3 42.847 85.693 0.441 2.97 8 130.1 35.1
241 11 2 1 42.899 85.799 0.442 2.96 8 28.8 1.7
242 7 2 3 43.125 86.251 0.444 2.94 8 146.0 43.8
243 4 16 0 43.301 86.602 0.445 2.93 4 227.7 53.1
244 11 3 1 43.364 86.728 0.446 2.93 8 45.4 4.2
245 7 3 3 43.59 87.179 0.448 2.91 8 37.4 2.8
246 7 13 1 43.713 87.427 0.449 2.9 8 153.4 47.7
247 3 16 1 43.732 87.464 0.449 2.9 8 20.6 0.9
248 9 10 1 43.754 87.508 0.449 2.9 8 202.2 82.8
249 10 0 2 43.822 87.643 0.449 2.9 4 0.3 0.0
250 5 8 3 43.861 87.722 0.45 2.89 8 103.2 21.5
251 10 1 2 43.914 87.829 0.45 2.89 8 32.6 2.1
252 2 17 0 43.947 87.894 0.45 2.89 4 139.1 19.5
253 10 9 0 43.976 87.952 0.451 2.89 4 27.5 0.8
254 3 10 3 43.98 87.959 0.451 2.89 8 31.5 2.0
255 11 4 1 44.014 88.027 0.451 2.88 8 31.3 2.0
256 5 15 1 44.077 88.154 0.452 2.88 8 70.2 9.9
257 8 9 2 44.089 88.178 0.452 2.88 8 190.3 72.8
258 10 2 2 44.193 88.385 0.452 2.87 8 5.9 0.1
259 7 4 3 44.239 88.478 0.453 2.87 8 72.7 10.6
260 6 12 2 44.297 88.594 0.453 2.87 8 170.8 58.4
261 1 11 3 44.317 88.634 0.453 2.87 8 6.6 0.1
262 6 15 0 44.451 88.903 0.455 2.86 4 196.7 38.6
263 10 3 2 44.656 89.313 0.456 2.85 8 238.2 112.8
264 11 5 1 44.848 89.696 0.458 2.84 8 121.1 29.1
265 8 13 0 44.892 89.785 0.458 2.83 4 22.7 0.5
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 4.614 9.229 9.575 105.1 1.6 1.6 5.6
2 2 1 0 7.189 14.378 6.1551 575.2 8.6 8.7 5.6
3 2 2 0 8.235 16.47 5.37789 548.6 8.2 8.3 5.6
4 2 3 0 9.737 19.474 4.55439 100.8 1.5 1.5 5.6
5 1 0 1 10.876 21.752 4.08247 316.2 4.8 4.8 5.6
6 2 4 0 11.527 23.054 3.85476 751.6 11.3 11.3 5.6
7 1 2 1 11.836 23.672 3.75537 2562.7 38.5 38.6 5.6
8 1 3 1 12.942 25.884 3.43925 4105.5 61.7 61.8 5.6
9 2 5 0 13.499 26.999 3.29977 6653.9 100.0 100.0 5.6
10 4 0 0 13.71 27.42 3.25 1456.7 21.9 21.9 5.6
11 4 1 0 13.91 27.82 3.20418 938.2 14.1 14.1 5.6
12 0 6 0 13.966 27.931 3.19167 376.7 5.7 5.7 5.6
13 3 0 1 14.617 29.235 3.05228 381.2 5.7 5.7 5.6
14 3 1 1 14.806 29.612 3.01423 2399.2 36.1 36.0 5.6
15 3 2 1 15.36 30.719 2.90809 5429.0 81.6 81.3 5.6
16 2 6 0 15.597 31.194 2.86492 1229.9 18.5 18.4 5.6
17 1 5 1 16.008 32.016 2.79321 149.6 2.2 2.2 5.6
18 3 3 1 16.244 32.488 2.75367 3043.2 45.7 45.5 5.6
19 2 7 0 17.787 35.575 2.52149 156.8 2.4 2.3 5.7
20 0 8 0 18.771 37.542 2.39375 211.7 3.2 3.2 5.7
21 4 6 0 19.771 39.542 2.27719 183.5 2.8 2.7 5.7
22 1 7 1 19.812 39.624 2.27263 1197.9 18.0 17.8 5.7
23 5 1 1 20.398 40.796 2.21004 131.2 2.0 1.9 5.7
24 3 6 1 20.438 40.875 2.20592 129.7 1.9 1.9 5.7
25 5 2 1 20.82 41.64 2.16717 97.8 1.5 1.5 5.7
26 0 0 2 20.994 41.988 2.15 2022.1 30.4 30.0 5.7
27 6 2 0 21.377 42.754 2.11324 203.6 3.1 3.0 5.7
28 5 3 1 21.508 43.017 2.10094 1263.1 19.0 18.7 5.7
29 4 7 0 21.595 43.189 2.09294 207.9 3.1 3.1 5.7
30 1 8 1 21.902 43.805 2.06496 1984.1 29.8 29.4 5.7
31 2 1 2 22.303 44.605 2.02974 88.2 1.3 1.3 5.7
32 5 4 1 22.443 44.887 2.01766 1412.9 21.2 20.9 5.7
33 6 4 0 22.969 45.937 1.97393 714.0 10.7 10.5 5.7
34 5 5 1 23.602 47.205 1.92385 70.8 1.1 1.0 5.7
35 0 10 0 23.718 47.436 1.915 588.0 8.8 8.7 5.7
36 6 5 0 24.108 48.216 1.88582 680.8 10.2 10.0 5.7
37 3 8 1 24.138 48.277 1.88359 1132.7 17.0 16.7 5.7
38 2 4 2 24.219 48.438 1.87769 152.8 2.3 2.2 5.7
39 5 6 1 24.963 49.925 1.8252 548.3 8.2 8.1 5.7
40 2 5 2 25.316 50.632 1.80137 1768.9 26.6 26.0 5.8
41 4 0 2 25.44 50.881 1.79314 525.1 7.9 7.7 5.8
42 4 1 2 25.56 51.119 1.78533 245.0 3.7 3.6 5.8
43 0 6 2 25.593 51.186 1.78316 116.6 1.8 1.7 5.8
44 4 9 0 25.639 51.278 1.78019 156.7 2.4 2.3 5.8
45 3 9 1 26.186 52.373 1.74551 192.9 2.9 2.8 5.8
46 5 7 1 26.503 53.007 1.72612 240.3 3.6 3.5 5.8
47 2 6 2 26.611 53.223 1.71962 342.1 5.1 5.0 5.8
48 7 0 1 26.859 53.718 1.70493 140.6 2.1 2.1 5.8
49 7 1 1 26.974 53.948 1.69821 377.5 5.7 5.5 5.8
50 2 11 0 27.262 54.523 1.68164 197.3 3.0 2.9 5.8
51 7 2 1 27.316 54.633 1.67852 261.3 3.9 3.8 5.8
52 4 10 0 27.831 55.662 1.64989 454.9 6.8 6.6 5.8
53 2 7 2 28.088 56.176 1.63601 68.0 1.0 1.0 5.8
54 5 8 1 28.207 56.414 1.62967 130.4 2.0 1.9 5.8
55 8 0 0 28.295 56.591 1.625 91.9 1.4 1.3 5.8
56 8 1 0 28.406 56.813 1.61918 215.5 3.2 3.1 5.8
57 7 4 1 28.659 57.317 1.60612 92.4 1.4 1.3 5.8
58 8 2 0 28.737 57.475 1.60209 200.3 3.0 2.9 5.8
59 4 6 2 29.52 59.039 1.56331 96.7 1.5 1.4 5.8
60 7 5 1 29.639 59.279 1.55757 121.5 1.8 1.8 5.8
61 5 9 1 30.06 60.121 1.53776 118.6 1.8 1.7 5.8
62 6 2 2 30.737 61.474 1.50711 98.7 1.5 1.4 5.8
63 4 7 2 30.905 61.811 1.4997 100.1 1.5 1.4 5.8
64 6 4 2 31.989 63.977 1.45405 343.3 5.2 4.9 5.9
65 4 12 0 32.529 65.059 1.43246 91.0 1.4 1.3 5.9
66 0 10 2 32.592 65.184 1.43 347.8 5.2 5.0 5.9
67 6 5 2 32.91 65.82 1.41773 393.4 5.9 5.7 5.9
68 3 12 1 33.002 66.005 1.41421 256.3 3.9 3.7 5.9
69 1 2 3 33.135 66.27 1.40919 100.5 1.5 1.4 5.9
70 1 3 3 33.639 67.279 1.39049 181.6 2.7 2.6 5.9
71 7 8 1 33.689 67.377 1.3887 87.8 1.3 1.3 5.9
72 1 13 1 33.773 67.546 1.38563 392.5 5.9 5.6 5.9
73 4 9 2 34.178 68.356 1.37117 110.8 1.7 1.6 5.9
74 3 1 3 34.574 69.148 1.3574 100.2 1.5 1.4 5.9
75 3 2 3 34.871 69.742 1.34728 284.2 4.3 4.1 5.9
76 8 8 0 34.954 69.909 1.34447 77.5 1.2 1.1 5.9
77 6 7 2 35.306 70.613 1.33278 76.8 1.2 1.1 5.9
78 3 3 3 35.363 70.727 1.33092 312.4 4.7 4.4 5.9
79 3 13 1 35.494 70.988 1.32666 120.5 1.8 1.7 5.9
80 2 11 2 35.558 71.116 1.32459 136.5 2.1 1.9 5.9
81 9 4 1 35.811 71.622 1.31647 212.8 3.2 3.0 5.9
82 4 10 2 36.05 72.1 1.3089 317.9 4.8 4.5 5.9
83 8 0 2 36.454 72.909 1.29637 66.6 1.0 0.9 6.0
84 8 1 2 36.551 73.102 1.29341 139.8 2.1 2.0 6.0
85 8 9 0 36.616 73.231 1.29145 84.1 1.3 1.2 6.0
86 9 5 1 36.686 73.371 1.28934 78.4 1.2 1.1 6.0
87 8 2 2 36.841 73.683 1.28465 217.1 3.3 3.1 6.0
88 10 3 0 37.206 74.412 1.27385 149.2 2.2 2.1 6.0
89 1 7 3 37.559 75.119 1.26362 114.1 1.7 1.6 6.0
90 9 6 1 37.744 75.488 1.25834 80.9 1.2 1.1 6.0
91 2 15 0 37.943 75.886 1.25273 116.8 1.8 1.6 6.0
92 5 3 3 38.712 77.424 1.23164 137.6 2.1 1.9 6.0
93 5 13 1 38.839 77.677 1.22826 103.1 1.5 1.4 6.0
94 1 8 3 38.989 77.979 1.22427 299.2 4.5 4.2 6.0
95 5 4 3 39.375 78.751 1.21419 122.2 1.8 1.7 6.0
96 4 12 2 40.252 80.504 1.1921 77.2 1.2 1.1 6.1
97 3 8 3 40.626 81.251 1.18302 144.6 2.2 2.0 6.1
98 5 6 3 41.255 82.51 1.16814 68.0 1.0 0.9 6.1
99 5 14 1 41.379 82.759 1.16525 115.3 1.7 1.6 6.1
100 8 8 2 42.51 85.02 1.13994 151.9 2.3 2.1 6.1
101 11 1 1 42.621 85.241 1.13755 89.8 1.3 1.2 6.1
102 9 10 1 43.754 87.508 1.11382 82.8 1.2 1.1 6.2
103 8 9 2 44.089 88.178 1.10708 82.7 1.2 1.1 6.2
104 10 3 2 44.656 89.313 1.09593 112.8 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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