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
4, t-gypsum, at 320' K, f-gypsum
CaSO(4).2[HH](2)O
Monoclinic * I2/a Z = 4
R =0.013
18 .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 = 5.6769 alpha = 90.0
b = 15.2074 beta = 118.49
c = 6.5277 gamma = 90.0
Unit cell volume (cub. angs.) = 495.28
Molar volume ( cub.cm/mol.) = 74.58
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.0786 0.25 0.57 Ca = 1.00
2 0.0 0.0787 0.75 0.5 S = 1.00
3 0.9616 0.1326 0.5512 1.18 O = 1.00
4 0.7571 0.0215 0.6653 0.97 O = 1.00
5 0.3784 0.1826 0.4654 1.75 O = 1.00
6 0.2504 0.1615 0.5009 3.52 H = 1.00
7 0.4023 0.2435 0.49 3.07 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.0786 0.25
2 2 0.0 0.0787 0.75
3 3 0.9616 0.1326 0.5512
4 4 0.7571 0.0215 0.6653
5 5 0.3784 0.1826 0.4654
6 6 0.2504 0.1615 0.5009
7 7 0.4023 0.2435 0.49
8 1 0.5 0.9214 0.75
9 2 0.0 0.9213 0.25
10 3 0.0384 0.8674 0.4488
11 4 0.2429 0.9785 0.3347
12 5 0.6216 0.8174 0.5346
13 6 0.7496 0.8385 0.4991
14 7 0.5977 0.7565 0.51
15 1 0.0 0.4214 0.25
16 2 0.5 0.4213 0.75
17 3 0.5384 0.3674 0.9488
18 4 0.7429 0.4785 0.8347
19 5 0.1216 0.3174 0.0346
20 6 0.2496 0.3385 0.9991
21 7 0.0977 0.2565 0.01
22 1 0.0 0.5786 0.75
23 2 0.5 0.5787 0.25
24 3 0.4616 0.6326 0.0512
25 4 0.2571 0.5215 0.1653
26 5 0.8784 0.6826 0.9654
27 6 0.7504 0.6615 0.0009
28 7 0.9023 0.7435 0.99
29 3 0.0384 0.1326 0.9488
30 4 0.2429 0.0215 0.8347
31 5 0.6216 0.1826 0.0346
32 6 0.7496 0.1615 0.9991
33 7 0.5977 0.2435 0.01
34 3 0.9616 0.8674 0.0512
35 4 0.7571 0.9785 0.1653
36 5 0.3784 0.8174 0.9654
37 6 0.2504 0.8385 0.0009
38 7 0.4023 0.7565 0.99
39 3 0.4616 0.3674 0.5512
40 4 0.2571 0.4785 0.6653
41 5 0.8784 0.3174 0.4654
42 6 0.7504 0.3385 0.5009
43 7 0.9023 0.2565 0.49
44 3 0.5384 0.6326 0.4488
45 4 0.7429 0.5215 0.3347
46 5 0.1216 0.6826 0.5346
47 6 0.2496 0.6615 0.4991
48 7 0.0977 0.7435 0.51
X-ray density (g/cm cub.) = 2.31
MU (1/cm) = 140.168 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
2.5477 3
2.5413 4
2.4251 5
2.3501 4
2.5477 3
2.5413 4
2.4251 5
2.3501 4
2 S 1.98 4
1.4607 3
1.4954 4
1.4607 3
1.4954 4
3 O 3.264 8
2.3626 4
2.7848 5
3.1755 5
2.418 3
2.4515 4
3.0765 5
3.2241 4
2.8605 5
4 O 3.264 7
2.3626 3
3.1064 5
2.7559 4
3.2136 5
2.4515 3
2.4328 4
3.2241 3
5 O 3.264 7
3.1755 3
2.7848 3
3.1064 4
3.2136 4
3.2131 5
3.0765 3
2.8605 3
6 H 1.632 1
0.9194 5
7 H 1.632 1
0.9387 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 5.814 11.628 0.066 191.92 2 77.7 945.5
2 0 1 1 8.251 16.501 0.093 94.18 4 2.6 1.0
3 1 1 0 9.351 18.702 0.105 72.83 4 11.6 16.1
4 1 2 -1 10.361 20.722 0.117 58.92 4 113.6 1239.2
5 0 4 0 11.689 23.379 0.132 45.84 2 58.0 125.6
6 0 3 1 11.699 23.399 0.132 45.76 4 19.7 29.1
7 1 3 0 12.511 25.022 0.141 39.75 4 3.5 0.8
8 1 1 -2 14.052 28.104 0.158 31.09 4 31.3 49.7
9 1 4 -1 14.552 29.105 0.163 28.86 4 140.3 925.9
10 1 2 1 15.554 31.108 0.174 25.02 4 121.8 605.1
11 0 0 2 15.577 31.154 0.174 24.94 2 42.5 36.8
12 2 1 -1 16.044 32.087 0.179 23.4 4 58.0 128.3
13 1 3 -2 16.375 32.75 0.183 22.39 4 18.9 13.1
14 0 5 1 16.657 33.315 0.186 21.57 4 9.1 2.9
15 0 2 2 16.679 33.357 0.186 21.51 4 115.8 470.6
16 1 5 0 17.254 34.508 0.193 19.98 4 38.6 48.7
17 2 0 -2 17.291 34.581 0.193 19.89 2 49.1 39.1
18 0 6 0 17.693 35.385 0.197 18.92 2 23.4 8.5
19 2 0 0 17.986 35.971 0.2 18.25 2 96.3 138.0
20 2 3 -1 18.137 36.274 0.202 17.92 4 23.4 16.0
21 2 2 -2 18.301 36.602 0.204 17.57 4 53.5 82.0
22 1 4 1 18.69 37.381 0.208 16.77 4 44.2 53.4
23 2 2 0 18.964 37.927 0.211 16.24 4 10.2 2.8
24 0 4 2 19.657 39.314 0.218 15.0 4 13.2 4.3
25 1 6 -1 19.773 39.547 0.22 14.81 4 1.3 0.0
26 1 5 -2 20.314 40.629 0.225 13.94 4 82.1 153.3
27 2 4 -2 21.082 42.164 0.233 12.83 4 36.0 27.1
28 2 4 0 21.673 43.347 0.24 12.06 4 99.3 193.9
29 1 2 -3 21.725 43.449 0.24 12.0 4 59.1 68.3
30 2 5 -1 21.803 43.607 0.241 11.9 4 65.1 82.2
31 1 1 2 21.813 43.625 0.241 11.89 4 60.0 69.8
32 2 1 -3 22.095 44.19 0.244 11.55 4 59.7 67.0
33 0 7 1 22.28 44.56 0.246 11.34 4 17.0 5.4
34 1 7 0 22.75 45.501 0.251 10.81 4 48.6 41.7
35 1 6 1 23.106 46.212 0.255 10.44 4 16.9 4.9
36 2 1 1 23.224 46.448 0.256 10.32 4 47.2 37.5
37 1 3 2 23.468 46.936 0.259 10.08 4 15.1 3.7
38 2 3 -3 23.735 47.47 0.261 9.82 4 20.5 6.7
39 0 8 0 23.904 47.809 0.263 9.67 2 43.0 14.6
40 0 6 2 23.926 47.851 0.263 9.65 4 108.1 183.9
41 0 1 3 23.952 47.904 0.264 9.62 4 7.6 0.9
42 1 4 -3 24.182 48.363 0.266 9.42 4 99.0 150.5
43 3 1 -2 24.39 48.78 0.268 9.23 4 49.8 37.3
44 2 3 1 24.806 49.612 0.272 8.89 4 14.6 3.1
45 2 6 -2 25.156 50.313 0.276 8.61 4 106.7 159.8
46 1 7 -2 25.26 50.521 0.277 8.53 4 3.4 0.2
47 3 2 -1 25.362 50.725 0.278 8.45 4 75.7 78.9
48 0 3 3 25.5 50.999 0.279 8.35 4 33.0 14.8
49 1 8 -1 25.569 51.139 0.28 8.29 4 45.5 28.0
50 2 6 0 25.674 51.348 0.281 8.22 4 100.1 134.4
51 3 3 -2 25.919 51.837 0.284 8.04 4 15.3 3.1
52 2 7 -1 26.531 53.062 0.29 7.62 4 1.2 0.0
53 1 5 2 26.539 53.079 0.29 7.62 4 11.5 1.6
54 2 5 -3 26.783 53.567 0.293 7.46 4 31.5 12.1
55 3 2 -3 27.206 54.412 0.297 7.2 4 50.8 30.3
56 3 4 -1 27.573 55.147 0.3 6.98 4 84.0 80.3
57 2 5 1 27.769 55.537 0.302 6.87 4 6.8 0.5
58 3 1 0 27.77 55.54 0.302 6.87 4 9.7 1.1
59 1 6 -3 27.91 55.821 0.304 6.79 4 63.8 45.1
60 2 0 -4 28.354 56.709 0.308 6.56 2 113.4 68.7
61 1 8 1 28.374 56.748 0.308 6.55 4 62.7 42.0
62 0 9 1 28.374 56.748 0.308 6.55 4 46.2 22.8
63 0 5 3 28.411 56.823 0.309 6.53 4 5.3 0.3
64 1 9 0 28.77 57.541 0.312 6.34 4 24.3 6.1
65 3 5 -2 28.801 57.602 0.313 6.33 4 17.1 3.0
66 1 1 -4 29.046 58.092 0.315 6.21 4 4.9 0.2
67 2 2 -4 29.052 58.105 0.315 6.21 4 46.7 22.0
68 0 8 2 29.085 58.171 0.316 6.19 4 46.8 22.1
69 3 3 0 29.173 58.347 0.316 6.15 4 37.9 14.4
70 3 4 -3 29.321 58.643 0.318 6.08 4 38.3 14.6
71 2 0 2 29.772 59.544 0.322 5.87 2 46.6 10.4
72 2 8 -2 30.168 60.335 0.326 5.7 4 59.2 32.5
73 1 2 3 30.374 60.749 0.328 5.62 4 19.5 3.5
74 1 3 -4 30.412 60.824 0.329 5.6 4 42.8 16.7
75 0 10 0 30.432 60.864 0.329 5.59 2 20.1 1.8
76 2 2 2 30.45 60.899 0.329 5.58 4 23.5 5.0
77 2 8 0 30.627 61.255 0.331 5.51 4 43.9 17.4
78 1 7 2 30.737 61.473 0.332 5.47 4 28.6 7.3
79 1 9 -2 30.931 61.862 0.334 5.39 4 8.8 0.7
80 2 7 -3 30.959 61.918 0.334 5.38 4 0.9 0.0
81 3 6 -1 31.02 62.04 0.335 5.36 4 32.9 9.4
82 2 4 -4 31.087 62.174 0.335 5.33 4 11.9 1.2
83 3 1 -4 31.189 62.378 0.336 5.3 4 36.8 11.7
84 2 7 1 31.861 63.723 0.343 5.05 4 36.2 10.8
85 1 10 -1 31.861 63.723 0.343 5.05 4 35.8 10.5
86 3 5 0 31.863 63.725 0.343 5.05 4 7.4 0.5
87 2 9 -1 32.052 64.103 0.344 4.99 4 11.1 1.0
88 1 4 3 32.359 64.718 0.347 4.89 4 82.1 53.7
89 2 4 2 32.432 64.864 0.348 4.86 4 19.7 3.1
90 0 7 3 32.454 64.908 0.348 4.86 4 24.2 4.6
91 0 0 4 32.484 64.968 0.349 4.85 2 85.0 28.6
92 3 3 -4 32.501 65.002 0.349 4.84 4 7.0 0.4
93 1 8 -3 32.642 65.285 0.35 4.8 4 38.3 11.4
94 3 6 -3 32.654 65.307 0.35 4.79 4 31.8 7.9
95 3 7 -2 32.814 65.629 0.352 4.74 4 9.1 0.6
96 4 0 -2 32.914 65.827 0.353 4.71 2 101.6 39.7
97 1 5 -4 33.042 66.084 0.354 4.67 4 2.3 0.0
98 0 2 4 33.13 66.259 0.355 4.65 4 15.6 1.8
99 3 2 1 33.345 66.69 0.357 4.58 4 62.9 29.6
100 4 2 -2 33.555 67.11 0.359 4.52 4 34.4 8.7
101 4 1 -3 33.761 67.523 0.361 4.46 4 35.0 8.9
102 2 6 -4 34.322 68.643 0.366 4.31 4 49.7 17.3
103 1 10 1 34.339 68.679 0.366 4.31 4 95.0 63.4
104 4 1 -1 34.625 69.25 0.369 4.24 4 21.6 3.2
105 0 11 1 34.968 69.936 0.372 4.15 4 27.2 5.0
106 0 10 2 34.98 69.961 0.372 4.15 4 19.9 2.7
107 4 3 -3 35.023 70.046 0.373 4.14 4 16.7 1.9
108 0 4 4 35.03 70.061 0.373 4.14 4 45.8 14.1
109 3 5 -4 35.047 70.094 0.373 4.13 4 5.9 0.2
110 3 4 1 35.24 70.48 0.375 4.09 4 59.4 23.6
111 1 11 0 35.321 70.643 0.375 4.07 4 39.8 10.5
112 4 4 -2 35.445 70.889 0.376 4.04 4 23.0 3.5
113 3 8 -1 35.512 71.024 0.377 4.03 4 59.1 22.9
114 1 6 3 35.534 71.068 0.377 4.02 4 1.5 0.0
115 2 6 2 35.604 71.207 0.378 4.01 4 76.1 37.8
116 3 7 0 35.683 71.366 0.379 3.99 4 17.4 2.0
117 1 9 2 35.869 71.737 0.38 3.95 4 15.9 1.6
118 4 3 -1 35.872 71.745 0.38 3.95 4 9.8 0.6
119 2 10 -2 35.964 71.928 0.381 3.93 4 13.6 1.2
120 2 9 -3 36.075 72.149 0.382 3.9 4 0.1 0.0
121 2 1 -5 36.32 72.639 0.384 3.85 4 21.8 3.0
122 2 10 0 36.385 72.771 0.385 3.84 4 2.9 0.1
123 4 0 -4 36.473 72.945 0.386 3.82 2 29.6 2.7
124 1 7 -4 36.803 73.605 0.389 3.76 4 21.5 2.8
125 2 9 1 36.914 73.828 0.39 3.74 4 1.1 0.0
126 3 8 -3 37.046 74.093 0.391 3.71 4 72.5 31.8
127 4 2 -4 37.086 74.171 0.391 3.7 4 32.2 6.3
128 1 11 -2 37.276 74.553 0.393 3.67 4 27.8 4.6
129 0 12 0 37.432 74.864 0.395 3.64 2 53.5 8.5
130 0 9 3 37.468 74.937 0.395 3.63 4 19.0 2.1
131 4 5 -3 37.49 74.979 0.395 3.63 4 15.5 1.4
132 2 3 -5 37.544 75.088 0.396 3.62 4 8.8 0.5
133 3 9 -2 37.807 75.614 0.398 3.58 4 3.2 0.1
134 3 2 -5 37.985 75.971 0.4 3.55 4 56.4 18.4
135 2 1 3 37.987 75.975 0.4 3.55 4 4.6 0.1
136 0 6 4 38.104 76.208 0.401 3.53 4 62.1 22.2
137 4 0 0 38.138 76.275 0.401 3.52 2 80.7 18.7
138 1 10 -3 38.252 76.503 0.402 3.5 4 63.7 23.2
139 3 6 1 38.307 76.614 0.402 3.49 4 31.6 5.7
140 2 11 -1 38.307 76.615 0.402 3.49 4 8.0 0.4
141 4 5 -1 38.318 76.635 0.402 3.49 4 12.9 0.9
142 1 2 -5 38.404 76.808 0.403 3.48 4 80.7 36.9
143 4 6 -2 38.505 77.011 0.404 3.46 4 49.0 13.6
144 2 8 -4 38.631 77.262 0.405 3.44 4 56.7 18.0
145 3 7 -4 38.724 77.447 0.406 3.43 4 10.4 0.6
146 1 12 -1 38.735 77.471 0.406 3.43 4 25.7 3.7
147 4 2 0 38.741 77.483 0.406 3.43 4 67.0 25.1
148 1 1 4 38.877 77.755 0.407 3.41 4 16.0 1.4
149 4 4 -4 38.904 77.808 0.408 3.4 4 25.3 3.6
150 2 3 3 39.193 78.387 0.41 3.36 4 17.1 1.6
151 3 1 2 39.691 79.382 0.415 3.29 4 8.9 0.4
152 3 4 -5 39.791 79.581 0.415 3.28 4 69.4 25.7
153 1 8 3 39.793 79.585 0.415 3.28 4 74.2 29.4
154 2 8 2 39.86 79.719 0.416 3.27 4 74.3 29.4
155 2 5 -5 39.954 79.908 0.417 3.26 4 9.6 0.5
156 1 3 4 40.076 80.151 0.418 3.25 4 24.9 3.3
157 1 4 -5 40.204 80.407 0.419 3.23 4 55.5 16.2
158 3 9 0 40.532 81.064 0.422 3.19 4 1.2 0.0
159 4 4 0 40.537 81.074 0.422 3.19 4 18.4 1.8
160 3 3 2 40.883 81.766 0.425 3.15 4 43.0 9.5
161 3 10 -1 40.963 81.926 0.426 3.14 4 47.4 11.5
162 1 12 1 41.039 82.078 0.426 3.13 4 19.5 1.9
163 4 7 -3 41.091 82.183 0.427 3.13 4 4.5 0.1
164 4 1 -5 41.499 82.999 0.43 3.09 4 16.5 1.4
165 2 5 3 41.577 83.154 0.431 3.08 4 3.3 0.1
166 1 9 -4 41.61 83.22 0.431 3.08 4 17.0 1.5
167 0 12 2 41.644 83.287 0.431 3.07 4 64.5 20.9
168 4 6 -4 41.884 83.767 0.433 3.05 4 80.6 32.3
169 1 11 2 41.896 83.793 0.433 3.05 4 16.8 1.4
170 4 7 -1 41.9 83.8 0.433 3.05 4 9.8 0.5
171 2 11 -3 42.093 84.187 0.435 3.03 4 1.6 0.0
172 0 13 1 42.223 84.446 0.436 3.02 4 7.1 0.3
173 0 8 4 42.282 84.564 0.437 3.01 4 52.6 13.6
174 0 1 5 42.317 84.635 0.437 3.01 4 4.6 0.1
175 3 10 -3 42.437 84.873 0.438 3.0 4 107.5 56.5
176 1 5 4 42.448 84.897 0.438 3.0 4 12.2 0.7
177 3 8 1 42.48 84.961 0.438 3.0 4 40.1 7.9
178 1 13 0 42.557 85.115 0.439 2.99 4 0.5 0.0
179 2 12 -2 42.578 85.157 0.439 2.99 4 62.9 19.3
180 4 8 -2 42.674 85.348 0.44 2.98 4 52.1 13.2
181 4 3 -5 42.681 85.363 0.44 2.98 4 11.2 0.6
182 3 6 -5 42.757 85.514 0.441 2.97 4 14.2 1.0
183 2 11 1 42.899 85.798 0.442 2.96 4 13.3 0.8
184 2 12 0 42.981 85.962 0.443 2.96 4 46.1 10.2
185 1 6 -5 43.165 86.329 0.444 2.94 4 3.3 0.1
186 3 5 2 43.248 86.496 0.445 2.94 4 12.0 0.7
187 5 2 -3 43.379 86.758 0.446 2.93 4 42.3 8.5
188 0 11 3 43.434 86.868 0.446 2.92 4 0.3 0.0
189 5 1 -2 43.44 86.88 0.446 2.92 4 9.5 0.4
190 3 9 -4 43.477 86.954 0.447 2.92 4 4.4 0.1
191 4 6 0 43.494 86.989 0.447 2.92 4 57.3 15.6
192 0 3 5 43.497 86.993 0.447 2.92 4 3.1 0.0
193 2 7 -5 43.507 87.014 0.447 2.92 4 14.3 1.0
194 3 11 -2 43.762 87.524 0.449 2.9 4 5.5 0.1
195 4 1 1 43.916 87.831 0.45 2.89 4 6.2 0.2
196 2 10 -4 43.975 87.95 0.451 2.89 4 23.3 2.5
197 1 13 -2 44.425 88.851 0.454 2.86 4 15.6 1.1
198 5 1 -4 44.503 89.006 0.455 2.85 4 5.0 0.1
199 5 3 -2 44.617 89.233 0.456 2.85 4 24.8 2.9
200 1 12 -3 44.782 89.564 0.457 2.84 4 5.8 0.2
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 5.814 11.628 7.6037 945.5 76.3 76.7 5.6
2 1 1 0 9.351 18.702 4.74063 16.1 1.3 1.3 5.6
3 1 2 -1 10.361 20.722 4.28283 1239.2 100.0 100.0 5.6
4 0 4 0 11.689 23.379 3.80185 154.6 12.5 12.5 5.6
5 1 1 -2 14.052 28.104 3.17243 49.7 4.0 4.0 5.6
6 1 4 -1 14.552 29.105 3.06561 925.9 74.7 74.3 5.6
7 1 2 1 15.554 31.108 2.87259 641.9 51.8 51.4 5.6
8 2 1 -1 16.044 32.087 2.78715 128.3 10.3 10.3 5.6
9 1 3 -2 16.375 32.75 2.73227 13.1 1.1 1.0 5.6
10 0 2 2 16.679 33.357 2.68386 473.6 38.2 37.8 5.7
11 1 5 0 17.254 34.508 2.59698 48.7 3.9 3.9 5.7
12 2 0 -2 17.291 34.581 2.59163 39.1 3.2 3.1 5.7
13 2 0 0 17.986 35.971 2.49462 138.0 11.1 11.0 5.7
14 2 3 -1 18.137 36.274 2.47445 16.0 1.3 1.3 5.7
15 2 2 -2 18.301 36.602 2.45305 82.0 6.6 6.5 5.7
16 1 4 1 18.69 37.381 2.40371 53.4 4.3 4.3 5.7
17 1 5 -2 20.314 40.629 2.21873 153.3 12.4 12.2 5.7
18 2 4 -2 21.082 42.164 2.14142 27.1 2.2 2.1 5.7
19 2 4 0 21.673 43.347 2.08571 193.9 15.6 15.3 5.7
20 1 2 -3 21.725 43.449 2.08101 68.3 5.5 5.4 5.7
21 2 5 -1 21.803 43.607 2.07387 151.9 12.3 12.0 5.7
22 2 1 -3 22.095 44.19 2.04783 67.0 5.4 5.3 5.7
23 1 7 0 22.75 45.501 1.99185 41.7 3.4 3.3 5.7
24 2 1 1 23.224 46.448 1.95341 37.5 3.0 3.0 5.7
25 0 6 2 23.926 47.851 1.89935 198.4 16.0 15.6 5.7
26 1 4 -3 24.182 48.363 1.88043 150.5 12.1 11.8 5.7
27 3 1 -2 24.39 48.78 1.86532 37.3 3.0 2.9 5.7
28 2 6 -2 25.156 50.313 1.81205 159.8 12.9 12.5 5.8
29 3 2 -1 25.362 50.725 1.79829 78.9 6.4 6.2 5.8
30 0 3 3 25.5 50.999 1.78924 14.8 1.2 1.2 5.8
31 1 8 -1 25.569 51.139 1.78469 28.0 2.3 2.2 5.8
32 2 6 0 25.674 51.348 1.77792 134.4 10.8 10.5 5.8
33 3 2 -3 27.206 54.412 1.6848 30.3 2.4 2.4 5.8
34 3 4 -1 27.573 55.147 1.66408 80.3 6.5 6.3 5.8
35 1 6 -3 27.91 55.821 1.64558 45.1 3.6 3.5 5.8
36 2 0 -4 28.354 56.709 1.6219 133.4 10.8 10.4 5.8
37 2 2 -4 29.052 58.105 1.58622 22.0 1.8 1.7 5.8
38 0 8 2 29.085 58.171 1.58457 22.1 1.8 1.7 5.8
39 3 3 0 29.173 58.347 1.58021 14.4 1.2 1.1 5.8
40 3 4 -3 29.321 58.643 1.57294 14.6 1.2 1.1 5.8
41 2 8 -2 30.168 60.335 1.5328 32.5 2.6 2.5 5.8
42 1 3 -4 30.412 60.824 1.52166 18.6 1.5 1.4 5.8
43 2 8 0 30.627 61.255 1.51198 17.4 1.4 1.3 5.8
44 2 7 1 31.861 63.723 1.45924 21.8 1.8 1.7 5.9
45 1 4 3 32.359 64.718 1.43917 53.7 4.3 4.1 5.9
46 0 0 4 32.484 64.968 1.43425 28.9 2.3 2.2 5.9
47 1 8 -3 32.642 65.285 1.42805 19.3 1.6 1.5 5.9
48 4 0 -2 32.914 65.827 1.41759 39.7 3.2 3.0 5.9
49 3 2 1 33.345 66.69 1.40133 29.6 2.4 2.3 5.9
50 1 10 1 34.339 68.679 1.36552 80.8 6.5 6.2 5.9
51 0 4 4 35.03 70.061 1.34193 16.3 1.3 1.2 5.9
52 3 4 1 35.24 70.48 1.33497 23.6 1.9 1.8 5.9
53 3 8 -1 35.512 71.024 1.32608 22.9 1.8 1.7 5.9
54 2 6 2 35.604 71.207 1.32311 37.8 3.1 2.9 5.9
55 3 8 -3 37.046 74.093 1.27855 31.8 2.6 2.4 6.0
56 3 2 -5 37.985 75.971 1.25155 18.5 1.5 1.4 6.0
57 0 6 4 38.104 76.208 1.24825 22.2 1.8 1.7 6.0
58 4 0 0 38.138 76.275 1.24731 18.7 1.5 1.4 6.0
59 1 10 -3 38.252 76.503 1.24416 23.2 1.9 1.7 6.0
60 1 2 -5 38.404 76.808 1.23999 36.9 3.0 2.8 6.0
61 4 6 -2 38.505 77.011 1.23722 13.6 1.1 1.0 6.0
62 2 8 -4 38.631 77.262 1.23383 18.0 1.5 1.4 6.0
63 4 2 0 38.741 77.483 1.23086 28.8 2.3 2.2 6.0
64 1 8 3 39.793 79.585 1.20354 55.2 4.5 4.1 6.0
65 2 8 2 39.86 79.719 1.20186 29.4 2.4 2.2 6.0
66 1 4 -5 40.204 80.407 1.1933 16.2 1.3 1.2 6.0
67 0 12 2 41.644 83.287 1.1592 20.9 1.7 1.5 6.1
68 4 6 -4 41.884 83.767 1.15377 34.1 2.8 2.5 6.1
69 0 8 4 42.282 84.564 1.14492 13.6 1.1 1.0 6.1
70 3 10 -3 42.437 84.873 1.14154 57.2 4.6 4.2 6.1
71 2 12 -2 42.578 85.157 1.13846 19.3 1.6 1.4 6.1
72 4 8 -2 42.674 85.348 1.13639 13.8 1.1 1.0 6.1
73 4 6 0 43.494 86.989 1.11913 16.6 1.3 1.2 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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