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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GYPSUM
1, t-gypsum, f-gypsum
CaSO(4).2H(2)O
Monoclinic * I2/a Z = 4
R =0.036 NR =610
3 .2 .1989
Ref.Str.:
Pederson P., Semmingsen D. (1982)
* Acta Cryst., B 38, 1074-1076
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.679 alpha = 90.0
b = 15.202 beta = 118.43
c = 6.522 gamma = 90.0
Unit cell volume (cub. angs.) = 495.15
Molar volume ( cub.cm/mol.) = 74.56
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.0797 0.25 0.0 Ca = 1.00
2 0.0 0.0771 0.75 0.0 S = 1.00
3 0.9632 0.1319 0.5505 0.0 O = 1.00
4 0.7582 0.0223 0.6671 0.0 O = 1.00
5 0.3796 0.1821 0.4588 0.0 O = 1.00
6 0.2511 0.1616 0.5037 0.0 H = 1.00
7 0.4046 0.2428 0.4922 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.0797 0.25
2 2 0.0 0.0771 0.75
3 3 0.9632 0.1319 0.5505
4 4 0.7582 0.0223 0.6671
5 5 0.3796 0.1821 0.4588
6 6 0.2511 0.1616 0.5037
7 7 0.4046 0.2428 0.4922
8 1 0.5 0.9203 0.75
9 2 0.0 0.923 0.25
10 3 0.0368 0.8681 0.4495
11 4 0.2418 0.9777 0.3329
12 5 0.6204 0.8179 0.5412
13 6 0.7489 0.8384 0.4963
14 7 0.5954 0.7573 0.5078
15 1 0.0 0.4203 0.25
16 2 0.5 0.4229 0.75
17 3 0.5368 0.3681 0.9495
18 4 0.7418 0.4777 0.8329
19 5 0.1204 0.3179 0.0412
20 6 0.2489 0.3384 0.9963
21 7 0.0954 0.2573 0.0078
22 1 0.0 0.5797 0.75
23 2 0.5 0.577 0.25
24 3 0.4632 0.6319 0.0505
25 4 0.2582 0.5223 0.1671
26 5 0.8796 0.6821 0.9588
27 6 0.7511 0.6616 0.0037
28 7 0.9046 0.7427 0.9922
29 3 0.0368 0.1319 0.9495
30 4 0.2418 0.0223 0.8329
31 5 0.6204 0.1821 0.0412
32 6 0.7489 0.1616 0.9963
33 7 0.5954 0.2428 0.0078
34 3 0.9632 0.8681 0.0505
35 4 0.7582 0.9777 0.1671
36 5 0.3796 0.8179 0.9588
37 6 0.2511 0.8384 0.0037
38 7 0.4046 0.7573 0.9922
39 3 0.4632 0.3681 0.5505
40 4 0.2582 0.4777 0.6671
41 5 0.8796 0.3179 0.4588
42 6 0.7511 0.3384 0.5037
43 7 0.9046 0.2573 0.4922
44 3 0.5368 0.6319 0.4495
45 4 0.7418 0.5223 0.3329
46 5 0.1204 0.6821 0.5412
47 6 0.2489 0.6616 0.4963
48 7 0.0954 0.7427 0.5078
X-ray density (g/cm cub.) = 2.31
MU (1/cm) = 140.204 Mass attenuation coefficient (cm**2/g) = 60.727
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 8
2.546 3
2.5522 4
2.3737 5
2.3662 4
2.546 3
2.5522 4
2.3737 5
2.3662 4
2 S 1.98 4
1.4743 3
1.4712 4
1.4743 3
1.4712 4
3 O 3.264 8
2.3568 4
2.8068 5
3.1683 5
2.4316 3
2.4288 4
3.0411 5
3.2137 4
2.882 5
4 O 3.264 7
2.3568 3
3.0973 5
2.7791 4
3.2138 5
2.4288 3
2.4255 4
3.2137 3
5 O 3.264 7
3.1683 3
2.8068 3
3.0973 4
3.2138 4
3.1666 5
3.0411 3
2.882 3
6 H 1.632 1
0.9587 5
7 H 1.632 1
0.9421 5
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 5.816 11.633 0.066 191.78 2 78.5 965.0
2 0 1 1 8.253 16.506 0.093 94.12 4 0.3 0.0
3 1 1 0 9.343 18.686 0.105 72.96 4 12.6 18.9
4 1 2 -1 10.365 20.731 0.117 58.87 4 115.2 1274.0
5 0 4 0 11.694 23.387 0.132 45.8 2 59.8 133.4
6 0 3 1 11.703 23.406 0.132 45.73 4 21.1 33.4
7 1 3 0 12.507 25.014 0.141 39.78 4 0.9 0.1
8 1 1 -2 14.065 28.129 0.158 31.03 4 32.4 53.2
9 1 4 -1 14.558 29.116 0.163 28.83 4 142.5 954.7
10 1 2 1 15.545 31.09 0.174 25.05 4 126.4 652.5
11 0 0 2 15.581 31.162 0.174 24.93 2 42.9 37.4
12 2 1 -1 16.037 32.073 0.179 23.42 4 58.9 132.4
13 1 3 -2 16.387 32.775 0.183 22.35 4 19.9 14.4
14 0 5 1 16.663 33.326 0.186 21.56 4 15.4 8.3
15 0 2 2 16.683 33.367 0.186 21.5 4 119.5 500.8
16 1 5 0 17.254 34.508 0.193 19.99 4 39.1 49.9
17 2 0 -2 17.298 34.596 0.193 19.87 2 43.2 30.2
18 0 6 0 17.699 35.398 0.197 18.9 2 22.7 7.9
19 2 0 0 17.967 35.935 0.2 18.29 2 99.7 148.4
20 2 3 -1 18.132 36.265 0.202 17.93 4 25.1 18.4
21 2 2 -2 18.309 36.617 0.204 17.55 4 57.2 93.8
22 1 4 1 18.685 37.369 0.208 16.78 4 42.0 48.4
23 2 2 0 18.947 37.894 0.211 16.27 4 9.7 2.5
24 0 4 2 19.663 39.327 0.218 14.99 4 16.4 6.6
25 1 6 -1 19.781 39.562 0.22 14.79 4 2.8 0.2
26 1 5 -2 20.327 40.655 0.225 13.92 4 90.9 187.8
27 2 4 -2 21.091 42.181 0.234 12.82 4 35.2 25.9
28 2 4 0 21.66 43.32 0.24 12.08 4 103.8 212.4
29 1 2 -3 21.742 43.485 0.24 11.98 4 57.3 64.1
30 2 5 -1 21.802 43.603 0.241 11.9 4 66.3 85.3
31 1 1 2 21.803 43.606 0.241 11.9 4 63.5 78.4
32 2 1 -3 22.114 44.228 0.244 11.53 4 62.0 72.3
33 0 7 1 22.288 44.576 0.246 11.33 4 21.9 8.8
34 1 7 0 22.754 45.508 0.251 10.81 4 49.9 43.8
35 1 6 1 23.104 46.208 0.255 10.44 4 18.6 5.9
36 2 1 1 23.201 46.403 0.256 10.34 4 52.7 46.9
37 1 3 2 23.46 46.92 0.258 10.09 4 11.3 2.1
38 2 3 -3 23.754 47.508 0.261 9.81 4 23.2 8.6
39 0 8 0 23.914 47.827 0.263 9.66 2 46.1 16.7
40 0 6 2 23.934 47.867 0.263 9.64 4 112.7 199.8
41 0 1 3 23.959 47.918 0.264 9.62 4 4.6 0.3
42 1 4 -3 24.199 48.399 0.266 9.4 4 107.6 177.6
43 3 1 -2 24.386 48.773 0.268 9.24 4 52.6 41.7
44 2 3 1 24.786 49.571 0.272 8.9 4 15.5 3.5
45 2 6 -2 25.166 50.333 0.276 8.6 4 114.3 183.3
46 1 7 -2 25.275 50.549 0.277 8.52 4 0.4 0.0
47 3 2 -1 25.345 50.69 0.278 8.46 4 76.8 81.4
48 0 3 3 25.507 51.015 0.28 8.34 4 36.7 18.3
49 1 8 -1 25.579 51.159 0.28 8.29 4 47.5 30.5
50 2 6 0 25.665 51.33 0.281 8.22 4 105.0 147.8
51 3 3 -2 25.916 51.832 0.284 8.04 4 15.9 3.3
52 2 7 -1 26.533 53.066 0.29 7.62 4 3.6 0.2
53 1 5 2 26.534 53.068 0.29 7.62 4 15.0 2.8
54 2 5 -3 26.803 53.606 0.293 7.45 4 35.8 15.5
55 3 2 -3 27.218 54.436 0.297 7.19 4 52.7 32.6
56 3 4 -1 27.558 55.117 0.3 6.99 4 91.2 94.9
57 3 1 0 27.741 55.482 0.302 6.89 4 11.7 1.5
58 2 5 1 27.752 55.504 0.302 6.88 4 4.5 0.2
59 1 6 -3 27.929 55.858 0.304 6.78 4 68.4 51.7
60 1 8 1 28.376 56.751 0.308 6.54 4 63.9 43.6
61 2 0 -4 28.382 56.765 0.309 6.54 2 125.6 84.2
62 0 9 1 28.385 56.77 0.309 6.54 4 54.0 31.1
63 0 5 3 28.421 56.841 0.309 6.52 4 6.8 0.5
64 1 9 0 28.777 57.554 0.312 6.34 4 23.4 5.7
65 3 5 -2 28.801 57.601 0.313 6.33 4 13.2 1.8
66 1 1 -4 29.068 58.137 0.315 6.2 4 6.6 0.4
67 2 2 -4 29.08 58.16 0.315 6.19 4 45.4 20.8
68 0 8 2 29.096 58.192 0.316 6.18 4 49.9 25.2
69 3 3 0 29.146 58.293 0.316 6.16 4 42.0 17.8
70 3 4 -3 29.334 58.668 0.318 6.07 4 36.1 12.9
71 2 0 2 29.748 59.496 0.322 5.88 2 49.4 11.7
72 2 8 -2 30.18 60.36 0.326 5.7 4 60.9 34.5
73 1 2 3 30.367 60.733 0.328 5.62 4 15.0 2.1
74 2 2 2 30.426 60.852 0.329 5.59 4 21.2 4.1
75 1 3 -4 30.434 60.869 0.329 5.59 4 50.7 23.4
76 0 10 0 30.444 60.888 0.329 5.59 2 19.7 1.8
77 2 8 0 30.623 61.246 0.331 5.51 4 44.4 17.7
78 1 7 2 30.735 61.47 0.332 5.47 4 32.4 9.3
79 1 9 -2 30.947 61.894 0.334 5.39 4 20.1 3.6
80 2 7 -3 30.98 61.959 0.334 5.38 4 5.4 0.3
81 3 6 -1 31.009 62.017 0.334 5.36 4 39.4 13.6
82 2 4 -4 31.115 62.23 0.335 5.32 4 13.6 1.6
83 3 1 -4 31.215 62.429 0.336 5.29 4 42.8 15.8
84 3 5 0 31.839 63.678 0.342 5.06 4 9.8 0.8
85 2 7 1 31.849 63.697 0.343 5.06 4 39.1 12.6
86 1 10 -1 31.874 63.749 0.343 5.05 4 35.1 10.1
87 2 9 -1 32.057 64.114 0.345 4.99 4 12.3 1.2
88 1 4 3 32.353 64.706 0.347 4.89 4 91.1 66.1
89 2 4 2 32.411 64.821 0.348 4.87 4 21.0 3.5
90 0 7 3 32.465 64.93 0.348 4.85 4 37.3 11.0
91 0 0 4 32.494 64.987 0.349 4.84 2 92.0 33.4
92 3 3 -4 32.527 65.054 0.349 4.83 4 1.6 0.0
93 1 8 -3 32.663 65.325 0.35 4.79 4 38.7 11.7
94 3 6 -3 32.668 65.336 0.35 4.79 4 37.1 10.8
95 3 7 -2 32.817 65.633 0.352 4.74 4 12.5 1.2
96 4 0 -2 32.897 65.794 0.353 4.72 2 109.1 45.8
97 1 5 -4 33.065 66.13 0.354 4.66 4 2.9 0.1
98 0 2 4 33.14 66.279 0.355 4.64 4 17.2 2.2
99 3 2 1 33.31 66.619 0.356 4.59 4 68.2 34.8
100 4 2 -2 33.539 67.077 0.359 4.53 4 36.3 9.7
101 4 1 -3 33.762 67.523 0.361 4.46 4 45.6 15.2
102 1 10 1 34.345 68.69 0.366 4.31 4 106.0 79.0
103 2 6 -4 34.351 68.701 0.366 4.31 4 48.9 16.8
104 4 1 -1 34.593 69.187 0.369 4.24 4 27.1 5.1
105 0 11 1 34.982 69.964 0.372 4.15 4 27.2 5.0
106 0 10 2 34.994 69.988 0.372 4.15 4 20.7 2.9
107 4 3 -3 35.024 70.048 0.373 4.14 4 18.7 2.4
108 0 4 4 35.041 70.083 0.373 4.13 4 49.7 16.7
109 3 5 -4 35.074 70.147 0.373 4.13 4 9.5 0.6
110 3 4 1 35.207 70.414 0.374 4.1 4 62.5 26.1
111 1 11 0 35.332 70.664 0.375 4.07 4 53.2 18.8
112 4 4 -2 35.43 70.861 0.376 4.04 4 23.0 3.5
113 3 8 -1 35.504 71.008 0.377 4.03 4 65.6 28.3
114 1 6 3 35.531 71.061 0.377 4.02 4 3.4 0.1
115 2 6 2 35.585 71.171 0.378 4.01 4 79.3 41.1
116 3 7 0 35.663 71.326 0.378 3.99 4 19.2 2.4
117 4 3 -1 35.842 71.685 0.38 3.95 4 10.8 0.8
118 1 9 2 35.871 71.741 0.38 3.95 4 23.4 3.5
119 2 10 -2 35.98 71.959 0.381 3.92 4 12.8 1.1
120 2 9 -3 36.097 72.195 0.382 3.9 4 0.0 0.0
121 2 1 -5 36.356 72.712 0.385 3.85 4 21.9 3.0
122 2 10 0 36.385 72.77 0.385 3.84 4 3.6 0.1
123 4 0 -4 36.49 72.979 0.386 3.82 2 33.2 3.4
124 1 7 -4 36.827 73.655 0.389 3.75 4 23.9 3.5
125 2 9 1 36.906 73.812 0.39 3.74 4 1.2 0.0
126 3 8 -3 37.063 74.126 0.391 3.71 4 79.4 38.1
127 4 2 -4 37.103 74.206 0.392 3.7 4 33.1 6.6
128 1 11 -2 37.296 74.591 0.393 3.67 4 29.7 5.3
129 0 12 0 37.448 74.895 0.395 3.64 2 56.7 9.5
130 0 9 3 37.482 74.965 0.395 3.63 4 22.9 3.1
131 4 5 -3 37.492 74.985 0.395 3.63 4 23.6 3.3
132 2 3 -5 37.581 75.161 0.396 3.61 4 12.1 0.9
133 3 9 -2 37.813 75.625 0.398 3.58 4 9.7 0.6
134 2 1 3 37.962 75.924 0.399 3.55 4 5.5 0.2
135 3 2 -5 38.024 76.048 0.4 3.54 4 62.8 22.8
136 4 0 0 38.094 76.188 0.4 3.53 2 87.7 22.2
137 0 6 4 38.117 76.234 0.401 3.52 4 67.3 26.1
138 1 10 -3 38.274 76.549 0.402 3.5 4 67.6 26.1
139 3 6 1 38.277 76.554 0.402 3.5 4 36.7 7.7
140 4 5 -1 38.29 76.58 0.402 3.5 4 13.7 1.1
141 2 11 -1 38.316 76.633 0.402 3.49 4 13.9 1.1
142 1 2 -5 38.432 76.864 0.403 3.47 4 95.2 51.3
143 4 6 -2 38.494 76.987 0.404 3.47 4 52.3 15.5
144 2 8 -4 38.662 77.323 0.406 3.44 4 67.2 25.4
145 4 2 0 38.698 77.396 0.406 3.43 4 77.5 33.6
146 1 12 -1 38.752 77.504 0.406 3.43 4 28.6 4.6
147 3 7 -4 38.752 77.504 0.406 3.43 4 11.9 0.8
148 1 1 4 38.871 77.742 0.407 3.41 4 17.0 1.6
149 4 4 -4 38.922 77.845 0.408 3.4 4 28.2 4.4
150 2 3 3 39.169 78.339 0.41 3.37 4 21.6 2.6
151 3 1 2 39.65 79.299 0.414 3.3 4 12.9 0.9
152 1 8 3 39.792 79.584 0.415 3.28 4 84.9 38.6
153 3 4 -5 39.83 79.66 0.416 3.28 4 76.4 31.2
154 2 8 2 39.845 79.69 0.416 3.27 4 87.9 41.3
155 2 5 -5 39.992 79.983 0.417 3.26 4 7.4 0.3
156 1 3 4 40.07 80.14 0.418 3.25 4 32.0 5.4
157 1 4 -5 40.232 80.465 0.419 3.23 4 56.6 16.9
158 4 4 0 40.496 80.991 0.422 3.19 4 20.9 2.3
159 3 9 0 40.516 81.033 0.422 3.19 4 6.9 0.2
160 3 3 2 40.843 81.686 0.425 3.16 4 56.1 16.2
161 3 10 -1 40.959 81.919 0.426 3.14 4 47.9 11.7
162 1 12 1 41.049 82.098 0.426 3.13 4 19.4 1.9
163 4 7 -3 41.096 82.193 0.427 3.13 4 4.4 0.1
164 4 1 -5 41.534 83.067 0.43 3.08 4 24.6 3.0
165 2 5 3 41.555 83.11 0.431 3.08 4 2.5 0.0
166 1 9 -4 41.637 83.275 0.431 3.07 4 16.6 1.4
167 0 12 2 41.661 83.322 0.431 3.07 4 69.6 24.3
168 4 7 -1 41.875 83.751 0.433 3.05 4 17.1 1.5
169 1 11 2 41.902 83.805 0.434 3.05 4 16.1 1.3
170 4 6 -4 41.904 83.808 0.434 3.05 4 87.4 38.0
171 2 11 -3 42.119 84.238 0.435 3.03 4 3.2 0.1
172 0 13 1 42.242 84.483 0.436 3.02 4 0.4 0.0
173 0 8 4 42.298 84.595 0.437 3.01 4 56.8 15.8
174 0 1 5 42.331 84.663 0.437 3.01 4 9.4 0.4
175 1 5 4 42.445 84.889 0.438 3.0 4 10.6 0.6
176 3 8 1 42.454 84.908 0.438 3.0 4 43.6 9.3
177 3 10 -3 42.456 84.913 0.438 3.0 4 127.5 79.5
178 1 13 0 42.572 85.145 0.439 2.99 4 0.1 0.0
179 2 12 -2 42.598 85.195 0.439 2.99 4 69.9 23.8
180 4 8 -2 42.666 85.331 0.44 2.98 4 61.2 18.2
181 4 3 -5 42.716 85.433 0.44 2.98 4 14.2 1.0
182 3 6 -5 42.798 85.595 0.441 2.97 4 20.2 2.0
183 2 11 1 42.895 85.791 0.442 2.96 4 19.7 1.9
184 2 12 0 42.985 85.97 0.443 2.96 4 49.2 11.7
185 1 6 -5 43.195 86.391 0.444 2.94 4 5.9 0.2
186 3 5 2 43.21 86.42 0.444 2.94 4 13.8 0.9
187 5 2 -3 43.365 86.73 0.446 2.93 4 47.7 10.9
188 5 1 -2 43.407 86.814 0.446 2.92 4 9.8 0.5
189 0 11 3 43.452 86.903 0.446 2.92 4 4.3 0.1
190 4 6 0 43.455 86.911 0.446 2.92 4 65.9 20.7
191 3 9 -4 43.508 87.016 0.447 2.92 4 6.9 0.2
192 0 3 5 43.511 87.023 0.447 2.92 4 5.6 0.1
193 2 7 -5 43.547 87.094 0.447 2.91 4 16.7 1.3
194 3 11 -2 43.772 87.543 0.449 2.9 4 8.1 0.3
195 4 1 1 43.861 87.722 0.45 2.89 4 7.4 0.3
196 2 10 -4 44.009 88.017 0.451 2.88 4 26.8 3.4
197 1 13 -2 44.449 88.898 0.455 2.86 4 20.0 1.9
198 5 1 -4 44.508 89.017 0.455 2.85 4 7.4 0.3
199 5 3 -2 44.585 89.169 0.456 2.85 4 36.3 6.1
200 1 12 -3 44.809 89.617 0.457 2.84 4 5.5 0.1
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 5.816 11.633 7.601 965.0 75.7 76.2 5.6
2 1 1 0 9.343 18.686 4.74464 18.9 1.5 1.5 5.6
3 1 2 -1 10.365 20.731 4.28117 1274.0 100.0 100.0 5.6
4 0 4 0 11.694 23.387 3.8005 166.8 13.1 13.1 5.6
5 1 1 -2 14.065 28.129 3.16965 53.2 4.2 4.2 5.6
6 1 4 -1 14.558 29.116 3.06446 954.7 74.9 74.5 5.6
7 1 2 1 15.545 31.09 2.87427 652.5 51.2 50.8 5.6
8 0 0 2 15.581 31.162 2.86772 37.4 2.9 2.9 5.6
9 2 1 -1 16.037 32.073 2.78834 132.4 10.4 10.3 5.6
10 1 3 -2 16.387 32.775 2.73024 14.4 1.1 1.1 5.6
11 0 2 2 16.683 33.367 2.68311 509.1 40.0 39.6 5.7
12 1 5 0 17.254 34.508 2.59699 49.9 3.9 3.9 5.7
13 2 0 -2 17.298 34.596 2.59058 30.2 2.4 2.3 5.7
14 2 0 0 17.967 35.935 2.49705 148.4 11.6 11.5 5.7
15 2 3 -1 18.132 36.265 2.47509 18.4 1.4 1.4 5.7
16 2 2 -2 18.309 36.617 2.45208 93.8 7.4 7.3 5.7
17 1 4 1 18.685 37.369 2.40444 48.4 3.8 3.7 5.7
18 1 5 -2 20.327 40.655 2.21738 187.8 14.7 14.5 5.7
19 2 4 -2 21.091 42.181 2.14058 25.9 2.0 2.0 5.7
20 2 4 0 21.66 43.32 2.08691 212.4 16.7 16.3 5.7
21 1 2 -3 21.742 43.485 2.0794 64.1 5.0 4.9 5.7
22 2 5 -1 21.802 43.603 2.07403 163.6 12.8 12.6 5.7
23 2 1 -3 22.114 44.228 2.04616 72.3 5.7 5.6 5.7
24 1 7 0 22.754 45.508 1.99156 43.8 3.4 3.4 5.7
25 2 1 1 23.201 46.403 1.9552 46.9 3.7 3.6 5.7
26 0 6 2 23.934 47.867 1.89875 216.6 17.0 16.6 5.7
27 1 4 -3 24.199 48.399 1.87912 177.6 13.9 13.6 5.7
28 3 1 -2 24.386 48.773 1.86559 41.7 3.3 3.2 5.7
29 2 6 -2 25.166 50.333 1.81136 183.3 14.4 14.0 5.8
30 3 2 -1 25.345 50.69 1.79945 81.4 6.4 6.2 5.8
31 0 3 3 25.507 51.015 1.78874 18.3 1.4 1.4 5.8
32 1 8 -1 25.579 51.159 1.78404 30.5 2.4 2.3 5.8
33 2 6 0 25.665 51.33 1.77849 147.8 11.6 11.3 5.8
34 2 5 -3 26.803 53.606 1.70822 15.5 1.2 1.2 5.8
35 3 2 -3 27.218 54.436 1.68413 32.6 2.6 2.5 5.8
36 3 4 -1 27.558 55.117 1.66492 94.9 7.4 7.2 5.8
37 1 6 -3 27.929 55.858 1.64457 51.7 4.1 3.9 5.8
38 2 0 -4 28.382 56.765 1.62044 158.8 12.5 12.0 5.8
39 0 8 2 29.096 58.192 1.58405 46.0 3.6 3.5 5.8
40 3 3 0 29.146 58.293 1.58155 17.8 1.4 1.3 5.8
41 3 4 -3 29.334 58.668 1.57232 12.9 1.0 1.0 5.8
42 2 8 -2 30.18 60.36 1.53223 34.5 2.7 2.6 5.8
43 1 3 -4 30.434 60.869 1.52064 29.3 2.3 2.2 5.8
44 2 8 0 30.623 61.246 1.51218 17.7 1.4 1.3 5.8
45 3 6 -1 31.009 62.017 1.49521 13.6 1.1 1.0 5.8
46 3 1 -4 31.215 62.429 1.48632 15.8 1.2 1.2 5.8
47 2 7 1 31.849 63.697 1.45975 22.8 1.8 1.7 5.9
48 1 4 3 32.353 64.706 1.43941 66.1 5.2 4.9 5.9
49 0 0 4 32.494 64.987 1.43386 44.5 3.5 3.3 5.9
50 1 8 -3 32.663 65.325 1.42726 22.5 1.8 1.7 5.9
51 4 0 -2 32.897 65.794 1.41823 45.8 3.6 3.4 5.9
52 3 2 1 33.31 66.619 1.40264 34.8 2.7 2.6 5.9
53 4 1 -3 33.762 67.523 1.38605 15.2 1.2 1.1 5.9
54 1 10 1 34.345 68.69 1.36533 95.8 7.5 7.1 5.9
55 0 4 4 35.041 70.083 1.34156 19.0 1.5 1.4 5.9
56 3 4 1 35.207 70.414 1.33606 26.1 2.0 1.9 5.9
57 1 11 0 35.332 70.664 1.33194 18.8 1.5 1.4 5.9
58 3 8 -1 35.504 71.008 1.32633 28.4 2.2 2.1 5.9
59 2 6 2 35.585 71.171 1.3237 41.1 3.2 3.0 5.9
60 3 8 -3 37.063 74.126 1.27807 38.1 3.0 2.8 6.0
61 3 2 -5 38.024 76.048 1.25048 22.8 1.8 1.7 6.0
62 0 6 4 38.117 76.234 1.24789 48.2 3.8 3.5 6.0
63 1 10 -3 38.274 76.549 1.24353 34.8 2.7 2.5 6.0
64 1 2 -5 38.432 76.864 1.23922 51.3 4.0 3.8 6.0
65 4 6 -2 38.494 76.987 1.23754 15.5 1.2 1.1 6.0
66 2 8 -4 38.662 77.323 1.233 25.4 2.0 1.9 6.0
67 4 2 0 38.698 77.396 1.23202 33.6 2.6 2.5 6.0
68 1 8 3 39.792 79.584 1.20355 38.6 3.0 2.8 6.0
69 2 8 2 39.845 79.69 1.20222 72.5 5.7 5.3 6.0
70 1 4 -5 40.232 80.465 1.19259 16.9 1.3 1.2 6.0
71 3 3 2 40.843 81.686 1.17782 16.2 1.3 1.2 6.1
72 0 12 2 41.661 83.322 1.1588 25.6 2.0 1.8 6.1
73 4 6 -4 41.904 83.808 1.15331 40.7 3.2 2.9 6.1
74 0 8 4 42.298 84.595 1.14458 15.8 1.2 1.1 6.1
75 3 10 -3 42.456 84.913 1.14111 88.8 7.0 6.4 6.1
76 2 12 -2 42.598 85.195 1.13805 23.8 1.9 1.7 6.1
77 4 8 -2 42.666 85.331 1.13658 18.2 1.4 1.3 6.1
78 4 6 0 43.455 86.911 1.11993 20.7 1.6 1.5 6.1
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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