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
2, t-gypsum, at 4.2'K, f-gypsum
CaSO(4).2[HH](2)O
Monoclinic * I2/a Z = 4
R =0.015
17 .12 .1996
Ref.Str.:
Schofield P.F., Knight K.S., Stretton I.C.(1996)
* Amer. Mineral., 81, 847-851
Reserv:
[HH] = D. Rietveld method. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.674 alpha = 90.0
b = 15.1049 beta = 118.51
c = 6.4909 gamma = 90.0
Unit cell volume (cub. angs.) = 488.83
Molar volume ( cub.cm/mol.) = 73.61
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.08 0.25 0.1 Ca = 1.00
2 0.0 0.0767 0.75 0.1 S = 1.00
3 0.9641 0.1328 0.5503 0.3 O = 1.00
4 0.7576 0.0219 0.6643 0.28 O = 1.00
5 0.3834 0.1824 0.4618 0.32 O = 1.00
6 0.2537 0.1666 0.5077 1.43 H = 1.00
7 0.4055 0.2448 0.4932 1.29 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.08 0.25
2 2 0.0 0.0767 0.75
3 3 0.9641 0.1328 0.5503
4 4 0.7576 0.0219 0.6643
5 5 0.3834 0.1824 0.4618
6 6 0.2537 0.1666 0.5077
7 7 0.4055 0.2448 0.4932
8 1 0.5 0.92 0.75
9 2 0.0 0.9233 0.25
10 3 0.0359 0.8672 0.4497
11 4 0.2424 0.9781 0.3357
12 5 0.6166 0.8176 0.5382
13 6 0.7463 0.8334 0.4923
14 7 0.5945 0.7552 0.5068
15 1 0.0 0.42 0.25
16 2 0.5 0.4233 0.75
17 3 0.5359 0.3672 0.9497
18 4 0.7424 0.4781 0.8357
19 5 0.1166 0.3176 0.0382
20 6 0.2463 0.3334 0.9923
21 7 0.0945 0.2552 0.0068
22 1 0.0 0.58 0.75
23 2 0.5 0.5767 0.25
24 3 0.4641 0.6328 0.0503
25 4 0.2576 0.5219 0.1643
26 5 0.8834 0.6824 0.9618
27 6 0.7537 0.6666 0.0077
28 7 0.9055 0.7448 0.9932
29 3 0.0359 0.1328 0.9497
30 4 0.2424 0.0219 0.8357
31 5 0.6166 0.1824 0.0382
32 6 0.7463 0.1666 0.9923
33 7 0.5945 0.2448 0.0068
34 3 0.9641 0.8672 0.0503
35 4 0.7576 0.9781 0.1643
36 5 0.3834 0.8176 0.9618
37 6 0.2537 0.8334 0.0077
38 7 0.4055 0.7552 0.9932
39 3 0.4641 0.3672 0.5503
40 4 0.2576 0.4781 0.6643
41 5 0.8834 0.3176 0.4618
42 6 0.7537 0.3334 0.5077
43 7 0.9055 0.2552 0.4932
44 3 0.5359 0.6328 0.4497
45 4 0.7424 0.5219 0.3357
46 5 0.1166 0.6824 0.5382
47 6 0.2463 0.6666 0.4923
48 7 0.0945 0.7448 0.5068
X-ray density (g/cm cub.) = 2.34
MU (1/cm) = 142.018 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
2.5435 3
2.527 4
2.364 5
2.3646 4
2.5435 3
2.527 4
2.364 5
2.3646 4
2 S 1.98 4
1.4791 3
1.4683 4
1.4791 3
1.4683 4
3 O 3.264 8
2.3567 4
2.8029 5
3.1529 5
2.4246 3
2.4369 4
3.0399 5
3.2106 4
2.8426 5
4 O 3.264 7
2.3567 3
3.0739 5
2.7531 4
3.195 5
2.4369 3
2.4254 4
3.2106 3
5 O 3.264 7
3.1529 3
2.8029 3
3.0739 4
3.195 4
3.1699 5
3.0399 3
2.8426 3
6 H 1.632 1
0.9469 5
7 H 1.632 1
0.9598 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 5.854 11.708 0.066 189.3 2 77.3 945.7
2 0 1 1 8.3 16.6 0.094 93.03 4 0.5 0.0
3 1 1 0 9.363 18.727 0.106 72.63 4 12.0 17.4
4 1 2 -1 10.4 20.801 0.117 58.46 4 115.2 1299.1
5 0 4 0 11.77 23.54 0.132 45.18 2 58.0 127.4
6 0 3 1 11.775 23.55 0.132 45.14 4 19.8 29.7
7 1 3 0 12.558 25.116 0.141 39.44 4 1.6 0.2
8 1 1 -2 14.129 28.257 0.158 30.73 4 32.5 54.4
9 1 4 -1 14.63 29.26 0.164 28.53 4 141.0 949.4
10 1 2 1 15.612 31.225 0.175 24.82 4 124.3 641.5
11 0 0 2 15.67 31.341 0.175 24.62 2 41.1 34.8
12 2 1 -1 16.054 32.108 0.18 23.37 4 57.4 129.0
13 1 3 -2 16.471 32.942 0.184 22.11 4 22.2 18.2
14 0 5 1 16.77 33.54 0.187 21.26 4 14.6 7.6
15 0 2 2 16.781 33.562 0.187 21.23 4 118.0 495.1
16 2 0 -2 17.332 34.664 0.193 19.79 2 43.6 31.4
17 1 5 0 17.345 34.691 0.194 19.76 4 37.4 46.2
18 0 6 0 17.817 35.633 0.199 18.63 2 21.6 7.3
19 2 0 0 17.998 35.997 0.201 18.22 2 101.8 157.9
20 2 3 -1 18.173 36.347 0.202 17.84 4 25.2 19.0
21 2 2 -2 18.354 36.708 0.204 17.46 4 58.3 99.3
22 1 4 1 18.779 37.559 0.209 16.6 4 42.8 51.0
23 2 2 0 18.989 37.978 0.211 16.19 4 8.2 1.8
24 0 4 2 19.784 39.568 0.22 14.79 4 14.0 4.9
25 1 6 -1 19.895 39.791 0.221 14.61 4 2.7 0.2
26 1 5 -2 20.443 40.887 0.227 13.75 4 89.9 186.1
27 2 4 -2 21.165 42.33 0.234 12.72 4 33.4 23.8
28 2 4 0 21.731 43.462 0.24 11.99 4 103.4 214.5
29 1 2 -3 21.862 43.724 0.242 11.83 4 57.7 65.9
30 2 5 -1 21.881 43.761 0.242 11.81 4 63.6 80.0
31 1 1 2 21.912 43.824 0.242 11.77 4 61.9 75.6
32 2 1 -3 22.195 44.39 0.245 11.43 4 60.8 70.7
33 0 7 1 22.437 44.873 0.248 11.16 4 23.5 10.3
34 1 7 0 22.89 45.78 0.252 10.66 4 49.2 43.2
35 1 6 1 23.236 46.472 0.256 10.31 4 18.0 5.6
36 2 1 1 23.276 46.552 0.257 10.27 4 51.7 46.0
37 1 3 2 23.584 47.167 0.26 9.97 4 13.0 2.8
38 2 3 -3 23.851 47.702 0.262 9.72 4 21.7 7.7
39 0 8 0 24.077 48.154 0.265 9.51 2 46.5 17.2
40 0 6 2 24.088 48.175 0.265 9.5 4 113.0 203.0
41 0 1 3 24.101 48.203 0.265 9.49 4 6.7 0.7
42 1 4 -3 24.34 48.68 0.268 9.28 4 105.5 172.7
43 3 1 -2 24.415 48.83 0.268 9.21 4 51.7 41.3
44 2 3 1 24.877 49.753 0.273 8.83 4 14.7 3.2
45 2 6 -2 25.28 50.561 0.277 8.51 4 113.3 182.9
46 3 2 -1 25.379 50.758 0.278 8.44 4 75.1 79.7
47 1 7 -2 25.431 50.863 0.279 8.4 4 0.1 0.0
48 0 3 3 25.663 51.326 0.281 8.23 4 35.8 17.6
49 1 8 -1 25.741 51.482 0.282 8.17 4 45.8 28.7
50 2 6 0 25.776 51.551 0.282 8.14 4 101.3 140.0
51 3 3 -2 25.963 51.926 0.284 8.01 4 15.9 3.4
52 2 7 -1 26.658 53.316 0.291 7.54 4 6.0 0.4
53 1 5 2 26.685 53.37 0.292 7.53 4 15.4 3.0
54 2 5 -3 26.93 53.86 0.294 7.37 4 36.7 16.6
55 3 2 -3 27.281 54.562 0.298 7.16 4 52.8 33.4
56 3 4 -1 27.618 55.237 0.301 6.96 4 90.0 94.5
57 3 1 0 27.793 55.586 0.303 6.86 4 11.0 1.4
58 2 5 1 27.873 55.746 0.303 6.82 4 3.3 0.1
59 1 6 -3 28.102 56.203 0.306 6.69 4 66.6 49.6
60 2 0 -4 28.518 57.035 0.31 6.47 2 125.0 84.6
61 1 8 1 28.553 57.107 0.31 6.45 4 64.1 44.4
62 0 9 1 28.582 57.164 0.311 6.44 4 52.2 29.3
63 0 5 3 28.601 57.202 0.311 6.43 4 7.4 0.6
64 3 5 -2 28.88 57.76 0.314 6.29 4 11.4 1.4
65 1 9 0 28.964 57.928 0.314 6.25 4 19.9 4.1
66 3 3 0 29.215 58.429 0.317 6.13 4 38.7 15.4
67 2 2 -4 29.222 58.445 0.317 6.12 4 46.7 22.4
68 1 1 -4 29.241 58.481 0.317 6.12 4 5.4 0.3
69 0 8 2 29.293 58.586 0.318 6.09 4 47.9 23.4
70 3 4 -3 29.421 58.842 0.319 6.03 4 37.6 14.3
71 2 0 2 29.875 59.75 0.323 5.83 2 47.9 11.2
72 2 8 -2 30.342 60.684 0.328 5.63 4 59.8 33.8
73 1 2 3 30.538 61.077 0.33 5.55 4 16.7 2.6
74 2 2 2 30.56 61.12 0.33 5.54 4 24.2 5.4
75 1 3 -4 30.619 61.238 0.331 5.52 4 48.2 21.4
76 0 10 0 30.661 61.321 0.331 5.5 2 19.9 1.8
77 2 8 0 30.782 61.564 0.332 5.45 4 45.7 19.1
78 1 7 2 30.924 61.847 0.334 5.4 4 32.6 9.6
79 3 6 -1 31.107 62.214 0.335 5.33 4 37.1 12.3
80 2 7 -3 31.147 62.294 0.336 5.31 4 6.4 0.4
81 1 9 -2 31.153 62.306 0.336 5.31 4 19.2 3.3
82 2 4 -4 31.277 62.554 0.337 5.26 4 13.2 1.5
83 3 1 -4 31.319 62.639 0.337 5.25 4 39.9 14.0
84 3 5 0 31.937 63.875 0.343 5.03 4 9.4 0.8
85 2 7 1 32.011 64.021 0.344 5.0 4 36.6 11.2
86 1 10 -1 32.091 64.182 0.345 4.98 4 35.6 10.6
87 2 9 -1 32.236 64.471 0.346 4.93 4 11.0 1.0
88 1 4 3 32.544 65.088 0.349 4.83 4 89.3 64.5
89 2 4 2 32.565 65.13 0.349 4.82 4 19.8 3.2
90 3 3 -4 32.646 65.292 0.35 4.79 4 0.5 0.0
91 0 7 3 32.682 65.364 0.351 4.78 4 33.8 9.1
92 0 0 4 32.698 65.395 0.351 4.78 2 89.9 32.3
93 3 6 -3 32.791 65.582 0.352 4.75 4 35.6 10.1
94 1 8 -3 32.878 65.757 0.352 4.72 4 39.9 12.6
95 4 0 -2 32.929 65.857 0.353 4.71 2 104.9 43.3
96 3 7 -2 32.94 65.881 0.353 4.7 4 13.4 1.4
97 1 5 -4 33.275 66.55 0.356 4.6 4 2.7 0.1
98 0 2 4 33.35 66.7 0.357 4.58 4 15.0 1.7
99 3 2 1 33.412 66.824 0.357 4.56 4 69.3 36.6
100 4 2 -2 33.579 67.157 0.359 4.52 4 36.3 10.0
101 4 1 -3 33.809 67.618 0.361 4.45 4 44.8 15.0
102 2 6 -4 34.545 69.091 0.368 4.26 4 47.9 16.3
103 1 10 1 34.578 69.155 0.368 4.25 4 103.1 75.6
104 4 1 -1 34.638 69.275 0.369 4.23 4 27.1 5.2
105 4 3 -3 35.087 70.174 0.373 4.12 4 18.2 2.3
106 3 5 -4 35.221 70.441 0.374 4.09 4 8.3 0.5
107 0 11 1 35.238 70.476 0.375 4.09 4 24.0 3.9
108 0 10 2 35.245 70.489 0.375 4.09 4 20.3 2.8
109 0 4 4 35.27 70.541 0.375 4.08 4 49.8 16.9
110 3 4 1 35.331 70.661 0.375 4.07 4 60.4 24.8
111 4 4 -2 35.493 70.986 0.377 4.03 4 22.8 3.5
112 1 11 0 35.58 71.159 0.378 4.01 4 53.2 19.0
113 3 8 -1 35.652 71.305 0.378 3.99 4 63.8 27.2
114 1 6 3 35.753 71.506 0.379 3.97 4 3.2 0.1
115 2 6 2 35.773 71.546 0.379 3.97 4 80.1 42.6
116 3 7 0 35.804 71.608 0.38 3.96 4 18.9 2.4
117 4 3 -1 35.902 71.804 0.381 3.94 4 9.1 0.5
118 1 9 2 36.109 72.219 0.383 3.9 4 24.2 3.8
119 2 10 -2 36.199 72.399 0.383 3.88 4 13.5 1.2
120 2 9 -3 36.316 72.632 0.384 3.85 4 1.6 0.0
121 2 1 -5 36.562 73.124 0.387 3.8 4 21.6 3.0
122 4 0 -4 36.571 73.142 0.387 3.8 2 33.8 3.6
123 2 10 0 36.603 73.205 0.387 3.8 4 2.4 0.0
124 1 7 -4 37.075 74.15 0.391 3.71 4 22.7 3.2
125 2 9 1 37.12 74.24 0.392 3.7 4 2.8 0.0
126 4 2 -4 37.192 74.384 0.392 3.68 4 31.5 6.1
127 3 8 -3 37.235 74.469 0.393 3.68 4 77.7 37.1
128 1 11 -2 37.563 75.125 0.396 3.62 4 27.6 4.6
129 4 5 -3 37.585 75.17 0.396 3.61 4 23.3 3.3
130 0 12 0 37.73 75.46 0.397 3.59 2 56.6 9.6
131 0 9 3 37.749 75.498 0.397 3.59 4 21.9 2.9
132 2 3 -5 37.8 75.6 0.398 3.58 4 11.1 0.7
133 3 9 -2 37.992 75.983 0.4 3.55 4 11.6 0.8
134 2 1 3 38.16 76.319 0.401 3.52 4 6.2 0.2
135 4 0 0 38.169 76.338 0.401 3.52 2 86.7 22.1
136 3 2 -5 38.198 76.396 0.401 3.51 4 62.1 22.7
137 0 6 4 38.377 76.755 0.403 3.48 4 65.9 25.3
138 4 5 -1 38.379 76.758 0.403 3.48 4 13.6 1.1
139 3 6 1 38.436 76.872 0.404 3.47 4 35.8 7.4
140 1 10 -3 38.546 77.093 0.404 3.46 4 66.5 25.6
141 2 11 -1 38.56 77.119 0.405 3.45 4 14.7 1.2
142 4 6 -2 38.593 77.187 0.405 3.45 4 52.9 16.1
143 1 2 -5 38.683 77.366 0.406 3.44 4 90.8 47.4
144 4 2 0 38.781 77.561 0.407 3.42 4 74.5 31.8
145 2 8 -4 38.902 77.804 0.408 3.4 4 63.7 23.1
146 3 7 -4 38.94 77.881 0.408 3.4 4 10.9 0.7
147 4 4 -4 39.033 78.066 0.409 3.38 4 28.9 4.7
148 1 12 -1 39.036 78.073 0.409 3.38 4 28.6 4.6
149 1 1 4 39.113 78.226 0.409 3.37 4 16.5 1.5
150 2 3 3 39.38 78.761 0.412 3.34 4 20.3 2.3
151 3 1 2 39.809 79.618 0.416 3.28 4 11.1 0.7
152 3 4 -5 40.025 80.049 0.417 3.25 4 75.2 30.8
153 1 8 3 40.06 80.121 0.418 3.25 4 81.9 36.5
154 2 8 2 40.08 80.159 0.418 3.24 4 82.6 37.1
155 2 5 -5 40.237 80.475 0.419 3.23 4 7.1 0.3
156 1 3 4 40.325 80.651 0.42 3.21 4 27.0 3.9
157 1 4 -5 40.504 81.008 0.422 3.19 4 55.5 16.5
158 4 4 0 40.6 81.2 0.422 3.18 4 20.7 2.3
159 3 9 0 40.713 81.426 0.423 3.17 4 7.7 0.3
160 3 3 2 41.016 82.033 0.426 3.14 4 53.4 15.0
161 3 10 -1 41.17 82.34 0.427 3.12 4 47.9 12.0
162 4 7 -3 41.233 82.465 0.428 3.11 4 4.8 0.1
163 1 12 1 41.352 82.704 0.429 3.1 4 19.4 2.0
164 4 1 -5 41.674 83.347 0.432 3.07 4 23.1 2.8
165 2 5 3 41.794 83.587 0.433 3.06 4 1.5 0.0
166 1 9 -4 41.938 83.875 0.434 3.04 4 14.3 1.0
167 0 12 2 41.982 83.965 0.434 3.04 4 68.0 23.5
168 4 7 -1 42.009 84.017 0.434 3.04 4 19.4 1.9
169 4 6 -4 42.051 84.102 0.435 3.03 4 85.8 37.4
170 1 11 2 42.207 84.414 0.436 3.02 4 14.8 1.1
171 2 11 -3 42.405 84.81 0.438 3.0 4 2.3 0.0
172 0 13 1 42.575 85.15 0.439 2.99 4 2.2 0.0
173 0 8 4 42.605 85.211 0.439 2.99 4 57.4 16.5
174 0 1 5 42.624 85.247 0.44 2.98 4 8.3 0.3
175 3 8 1 42.663 85.325 0.44 2.98 4 41.9 8.8
176 3 10 -3 42.691 85.382 0.44 2.98 4 121.5 73.6
177 1 5 4 42.728 85.455 0.44 2.98 4 10.3 0.5
178 4 8 -2 42.817 85.633 0.441 2.97 4 59.0 17.3
179 4 3 -5 42.871 85.742 0.442 2.96 4 13.5 0.9
180 2 12 -2 42.891 85.782 0.442 2.96 4 67.7 22.7
181 1 13 0 42.899 85.797 0.442 2.96 4 2.1 0.0
182 3 6 -5 43.028 86.056 0.443 2.95 4 17.4 1.5
183 2 11 1 43.178 86.355 0.444 2.94 4 19.6 1.9
184 2 12 0 43.277 86.555 0.445 2.93 4 49.0 11.8
185 3 5 2 43.412 86.825 0.446 2.92 4 14.5 1.0
186 5 2 -3 43.422 86.844 0.446 2.92 4 47.4 11.0
187 5 1 -2 43.457 86.913 0.446 2.92 4 8.8 0.4
188 1 6 -5 43.502 87.003 0.447 2.92 4 4.1 0.1
189 4 6 0 43.597 87.193 0.448 2.91 4 63.6 19.7
190 3 9 -4 43.753 87.506 0.449 2.9 4 7.5 0.3
191 0 11 3 43.786 87.571 0.449 2.9 4 4.8 0.1
192 0 3 5 43.818 87.636 0.449 2.9 4 4.3 0.1
193 2 7 -5 43.835 87.67 0.45 2.89 4 18.7 1.7
194 4 1 1 43.992 87.985 0.451 2.88 4 9.0 0.4
195 3 11 -2 44.021 88.042 0.451 2.88 4 8.5 0.3
196 2 10 -4 44.312 88.624 0.453 2.87 4 26.0 3.2
197 5 1 -4 44.584 89.168 0.456 2.85 4 6.3 0.2
198 5 3 -2 44.649 89.298 0.456 2.85 4 35.1 5.9
199 1 13 -2 44.798 89.596 0.457 2.84 4 19.5 1.8
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 2 0 5.854 11.708 7.55245 945.7 72.8 73.2 5.6
2 1 1 0 9.363 18.727 4.73454 17.4 1.3 1.3 5.6
3 1 2 -1 10.4 20.801 4.26686 1299.1 100.0 100.0 5.6
4 0 4 0 11.77 23.54 3.77623 157.1 12.1 12.1 5.6
5 1 1 -2 14.129 28.257 3.15559 54.4 4.2 4.2 5.6
6 1 4 -1 14.63 29.26 3.04966 949.4 73.1 72.6 5.6
7 1 2 1 15.612 31.225 2.86214 641.5 49.4 49.0 5.6
8 0 0 2 15.67 31.341 2.85181 34.8 2.7 2.7 5.6
9 2 1 -1 16.054 32.108 2.78542 129.0 9.9 9.8 5.6
10 1 3 -2 16.471 32.942 2.71675 18.2 1.4 1.4 5.6
11 0 2 2 16.781 33.562 2.66794 502.8 38.7 38.3 5.7
12 1 5 0 17.345 34.691 2.5837 77.6 6.0 5.9 5.7
13 2 0 0 17.998 35.997 2.4929 157.9 12.2 12.0 5.7
14 2 3 -1 18.173 36.347 2.46968 19.0 1.5 1.4 5.7
15 2 2 -2 18.354 36.708 2.44623 99.3 7.6 7.5 5.7
16 1 4 1 18.779 37.559 2.39273 51.0 3.9 3.9 5.7
17 1 5 -2 20.443 40.887 2.20533 186.1 14.3 14.1 5.7
18 2 4 -2 21.165 42.33 2.13343 23.8 1.8 1.8 5.7
19 2 4 0 21.731 43.462 2.08045 214.5 16.5 16.2 5.7
20 2 5 -1 21.881 43.761 2.06689 145.9 11.2 11.0 5.7
21 1 1 2 21.912 43.824 2.06409 75.6 5.8 5.7 5.7
22 2 1 -3 22.195 44.39 2.03905 70.7 5.4 5.3 5.7
23 1 7 0 22.89 45.78 1.98033 43.2 3.3 3.3 5.7
24 2 1 1 23.276 46.552 1.94927 46.0 3.5 3.5 5.7
25 0 6 2 24.088 48.175 1.88732 220.9 17.0 16.6 5.7
26 1 4 -3 24.34 48.68 1.86893 172.7 13.3 13.0 5.7
27 3 1 -2 24.415 48.83 1.86352 41.3 3.2 3.1 5.7
28 2 6 -2 25.28 50.561 1.80373 182.9 14.1 13.7 5.8
29 3 2 -1 25.379 50.758 1.79719 79.7 6.1 6.0 5.8
30 0 3 3 25.663 51.326 1.77863 17.6 1.4 1.3 5.8
31 1 8 -1 25.741 51.482 1.77359 28.7 2.2 2.1 5.8
32 2 6 0 25.776 51.551 1.77137 140.0 10.8 10.5 5.8
33 2 5 -3 26.93 53.86 1.70077 16.6 1.3 1.2 5.8
34 3 2 -3 27.281 54.562 1.68053 33.4 2.6 2.5 5.8
35 3 4 -1 27.618 55.237 1.66159 94.5 7.3 7.0 5.8
36 1 6 -3 28.102 56.203 1.63528 49.6 3.8 3.7 5.8
37 2 0 -4 28.518 57.035 1.6134 84.6 6.5 6.3 5.8
38 1 8 1 28.553 57.107 1.61154 73.7 5.7 5.5 5.8
39 2 2 -4 29.222 58.445 1.5778 38.0 2.9 2.8 5.8
40 0 8 2 29.293 58.586 1.57433 23.4 1.8 1.7 5.8
41 3 4 -3 29.421 58.842 1.5681 14.3 1.1 1.1 5.8
42 2 8 -2 30.342 60.684 1.52483 33.8 2.6 2.5 5.8
43 1 3 -4 30.619 61.238 1.51234 21.4 1.6 1.6 5.8
44 2 8 0 30.782 61.564 1.50513 19.1 1.5 1.4 5.8
45 3 1 -4 31.319 62.639 1.48185 14.0 1.1 1.0 5.8
46 1 4 3 32.544 65.088 1.43189 67.6 5.2 5.0 5.9
47 0 0 4 32.698 65.395 1.4259 41.4 3.2 3.0 5.9
48 4 0 -2 32.929 65.857 1.41701 44.7 3.4 3.3 5.9
49 3 2 1 33.412 66.824 1.39885 36.6 2.8 2.7 5.9
50 4 1 -3 33.809 67.618 1.38433 15.0 1.2 1.1 5.9
51 2 6 -4 34.545 69.091 1.35838 16.3 1.3 1.2 5.9
52 1 10 1 34.578 69.155 1.35727 75.6 5.8 5.5 5.9
53 0 4 4 35.27 70.541 1.33397 16.9 1.3 1.2 5.9
54 3 4 1 35.331 70.661 1.33198 24.8 1.9 1.8 5.9
55 1 11 0 35.58 71.159 1.32388 19.0 1.5 1.4 5.9
56 3 8 -1 35.652 71.305 1.32154 27.2 2.1 2.0 5.9
57 2 6 2 35.773 71.546 1.31767 42.6 3.3 3.1 5.9
58 3 8 -3 37.235 74.469 1.27302 37.1 2.9 2.7 6.0
59 3 2 -5 38.198 76.396 1.24564 44.8 3.4 3.2 6.0
60 0 6 4 38.377 76.755 1.24071 26.4 2.0 1.9 6.0
61 1 10 -3 38.546 77.093 1.23611 26.9 2.1 1.9 6.0
62 4 6 -2 38.593 77.187 1.23484 16.1 1.2 1.2 6.0
63 1 2 -5 38.683 77.366 1.23242 47.4 3.7 3.4 6.0
64 4 2 0 38.781 77.561 1.22981 31.8 2.4 2.3 6.0
65 2 8 -4 38.902 77.804 1.22658 23.1 1.8 1.7 6.0
66 3 4 -5 40.025 80.049 1.19773 30.8 2.4 2.2 6.0
67 2 8 2 40.08 80.159 1.19636 73.6 5.7 5.2 6.0
68 1 4 -5 40.504 81.008 1.18596 16.5 1.3 1.2 6.1
69 3 3 2 41.016 82.033 1.17371 15.0 1.2 1.1 6.1
70 0 12 2 41.982 83.965 1.15156 25.4 2.0 1.8 6.1
71 4 6 -4 42.051 84.102 1.15003 37.4 2.9 2.6 6.1
72 0 8 4 42.605 85.211 1.13788 16.8 1.3 1.2 6.1
73 3 10 -3 42.691 85.382 1.13604 82.4 6.3 5.8 6.1
74 4 8 -2 42.817 85.633 1.13334 17.3 1.3 1.2 6.1
75 2 12 -2 42.891 85.782 1.13175 22.7 1.7 1.6 6.1
76 4 6 0 43.597 87.193 1.11703 19.7 1.5 1.4 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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