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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CHURCHITE_Y
1, td-gypsum
YPO(4).2H(2)O
Monoclinic I 2/a Z = 4
R =0.077 NR =644
24 .2 .1995
Ref.Str.:
Kohlmann M., Sowa H., Reithmayer K., Schulz H. (1994)
* Acta Cryst., C50, 1651-1652
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.578 alpha = 90.0
b = 15.006 beta = 117.83
c = 6.275 gamma = 90.0
Unit cell volume (cub. angs.) = 464.49
Molar volume ( cub.cm/mol.) = 69.94
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.25 0.8289 0.0 0.01 Y = 1.00
2 0.25 0.3307 0.0 0.01 P = 1.00
3 0.302 0.3857 0.224 0.02 O = 1.00
4 0.506 0.2714 0.084 0.01 O = 1.00
5 0.63 0.068 0.218 0.02 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.8289 0.0
2 2 0.25 0.3307 0.0
3 3 0.302 0.3857 0.224
4 4 0.506 0.2714 0.084
5 5 0.63 0.068 0.218
6 1 0.75 0.1711 0.0
7 2 0.75 0.6693 0.0
8 3 0.698 0.6143 0.776
9 4 0.494 0.7286 0.916
10 5 0.37 0.932 0.782
11 1 0.25 0.6711 0.5
12 2 0.25 0.1693 0.5
13 3 0.198 0.1143 0.276
14 4 0.994 0.2286 0.416
15 5 0.87 0.432 0.282
16 1 0.75 0.3289 0.5
17 2 0.75 0.8307 0.5
18 3 0.802 0.8857 0.724
19 4 0.006 0.7714 0.584
20 5 0.13 0.568 0.718
21 3 0.198 0.3857 0.776
22 4 0.994 0.2714 0.916
23 5 0.87 0.068 0.782
24 3 0.802 0.6143 0.224
25 4 0.006 0.7286 0.084
26 5 0.13 0.932 0.218
27 3 0.302 0.1143 0.724
28 4 0.506 0.2286 0.584
29 5 0.63 0.432 0.718
30 3 0.698 0.8857 0.276
31 4 0.494 0.7714 0.416
32 5 0.37 0.568 0.282
X-ray density (g/cm cub.) = 3.09
MU (1/cm) = 218.897 Mass attenuation coefficient (cm**2/g) = 70.933
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Y 2.796 8
2.2506 4
2.3596 5
2.4351 3
2.4686 4
2.2506 4
2.3596 5
2.4351 3
2.4686 4
2 P 2.232 4
1.5363 3
1.5511 4
1.5363 3
1.5511 4
3 O 3.264 8
2.4376 4
3.0946 5
2.6908 5
2.5917 3
2.5551 4
3.0912 4
2.8537 5
2.7624 5
4 O 3.264 9
2.4376 3
3.1557 5
2.6206 4
3.0197 5
2.5551 3
2.541 4
3.0912 3
3.2026 4
3.2026 4
5 O 3.264 8
3.1557 4
3.17 5
3.0946 3
2.6908 3
3.0197 4
3.1454 5
2.8537 3
2.7624 3
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 5.893 11.785 0.067 186.79 2 121.5 2554.9
2 0 1 1 8.511 17.022 0.096 88.37 4 37.4 228.6
3 1 1 0 9.461 18.922 0.107 71.1 4 59.3 464.0
4 1 2 -1 10.618 21.236 0.12 56.0 4 168.3 2942.4
5 0 4 0 11.849 23.697 0.133 44.56 2 88.5 323.7
6 0 3 1 11.965 23.931 0.135 43.65 4 56.8 260.7
7 1 3 0 12.669 25.337 0.142 38.72 4 15.3 16.7
8 1 1 -2 14.609 29.218 0.164 28.62 4 36.1 69.1
9 1 4 -1 14.837 29.674 0.166 27.69 4 189.4 1841.0
10 1 2 1 15.832 31.664 0.177 24.08 4 157.8 1112.0
11 0 0 2 16.118 32.236 0.18 23.17 2 102.9 227.6
12 2 1 -1 16.32 32.64 0.182 22.55 4 24.8 25.7
13 1 3 -2 16.919 33.838 0.189 20.86 4 17.5 11.8
14 0 5 1 16.965 33.93 0.189 20.73 4 27.5 29.1
15 0 2 2 17.217 34.434 0.192 20.08 4 145.9 792.2
16 1 5 0 17.483 34.967 0.195 19.42 4 12.2 5.4
17 2 0 -2 17.82 35.64 0.199 18.62 2 92.8 148.7
18 0 6 0 17.938 35.876 0.2 18.36 2 74.5 94.5
19 2 0 0 18.198 36.397 0.203 17.78 2 156.5 404.0
20 2 3 -1 18.439 36.878 0.205 17.28 4 87.9 247.4
21 2 2 -2 18.832 37.664 0.21 16.49 4 80.0 195.7
22 1 4 1 19.005 38.01 0.211 16.16 4 100.8 304.6
23 2 2 0 19.193 38.386 0.213 15.82 4 38.6 43.6
24 1 6 -1 20.115 40.23 0.223 14.25 4 7.4 1.5
25 0 4 2 20.2 40.4 0.224 14.12 4 3.1 0.2
26 1 5 -2 20.865 41.729 0.231 13.14 4 132.7 429.1
27 2 4 -2 21.625 43.25 0.239 12.12 4 58.3 76.5
28 2 4 0 21.948 43.895 0.243 11.73 4 127.7 354.2
29 2 5 -1 22.154 44.308 0.245 11.48 4 116.1 286.9
30 1 1 2 22.347 44.695 0.247 11.26 4 119.4 297.5
31 1 2 -3 22.595 45.19 0.249 10.98 4 113.7 263.1
32 0 7 1 22.656 45.312 0.25 10.91 4 38.5 30.1
33 2 1 -3 22.959 45.917 0.253 10.59 4 88.8 155.0
34 1 7 0 23.066 46.131 0.254 10.48 4 108.6 229.0
35 1 6 1 23.48 46.96 0.259 10.07 4 30.1 16.9
36 2 1 1 23.572 47.143 0.26 9.98 4 85.8 136.2
37 1 3 2 24.016 48.033 0.264 9.56 4 21.0 7.8
38 0 8 0 24.246 48.492 0.267 9.36 2 83.7 60.8
39 0 6 2 24.497 48.994 0.269 9.14 4 174.3 514.8
40 2 3 -3 24.596 49.191 0.27 9.06 4 82.6 114.7
41 0 1 3 24.808 49.616 0.272 8.88 4 28.0 12.9
42 3 1 -2 24.935 49.869 0.274 8.78 4 102.5 171.1
43 1 4 -3 25.047 50.095 0.275 8.69 4 152.5 375.0
44 2 3 1 25.178 50.356 0.276 8.59 4 81.8 106.5
45 2 6 -2 25.733 51.466 0.282 8.17 4 176.6 472.5
46 3 2 -1 25.736 51.472 0.282 8.17 4 125.4 238.3
47 1 7 -2 25.848 51.697 0.283 8.09 4 54.1 44.0
48 1 8 -1 25.991 51.982 0.284 7.99 4 89.6 118.8
49 2 6 0 26.016 52.033 0.285 7.97 4 153.0 345.8
50 0 3 3 26.359 52.717 0.288 7.74 4 84.4 102.3
51 3 3 -2 26.48 52.96 0.289 7.66 4 15.7 3.5
52 2 7 -1 26.953 53.905 0.294 7.36 4 19.8 5.4
53 1 5 2 27.12 54.24 0.296 7.25 4 56.1 42.3
54 2 5 -3 27.652 55.304 0.301 6.94 4 4.4 0.2
55 3 4 -1 27.984 55.967 0.305 6.75 4 140.7 247.9
56 3 2 -3 28.059 56.118 0.305 6.71 4 100.5 125.8
57 3 1 0 28.116 56.233 0.306 6.68 4 36.2 16.2
58 2 5 1 28.19 56.379 0.307 6.64 4 29.3 10.6
59 1 6 -3 28.79 57.58 0.313 6.33 4 67.4 53.3
60 1 8 1 28.83 57.66 0.313 6.31 4 113.5 150.8
61 0 9 1 28.841 57.683 0.313 6.31 4 100.3 117.6
62 1 9 0 29.187 58.374 0.317 6.14 4 39.8 18.1
63 0 5 3 29.286 58.572 0.318 6.09 4 39.4 17.5
64 3 5 -2 29.399 58.798 0.319 6.04 4 27.9 8.7
65 3 3 0 29.546 59.092 0.32 5.97 4 36.9 15.1
66 2 0 -4 29.596 59.192 0.321 5.95 2 181.6 181.9
67 0 8 2 29.715 59.43 0.322 5.9 4 80.3 70.6
68 3 4 -3 30.19 60.38 0.326 5.69 4 85.4 77.0
69 1 1 -4 30.287 60.574 0.327 5.65 4 33.4 11.7
70 2 2 -4 30.294 60.588 0.327 5.65 4 69.9 51.2
71 2 0 2 30.367 60.733 0.328 5.62 2 103.1 55.3
72 2 8 -2 30.807 61.613 0.332 5.44 4 97.7 96.4
73 0 10 0 30.885 61.77 0.333 5.41 2 36.9 6.8
74 2 2 2 31.054 62.109 0.335 5.35 4 57.4 32.7
75 2 8 0 31.059 62.118 0.335 5.34 4 83.8 69.5
76 1 2 3 31.245 62.49 0.337 5.27 4 77.4 58.5
77 1 7 2 31.374 62.747 0.338 5.23 4 17.5 3.0
78 3 6 -1 31.491 62.982 0.339 5.18 4 27.3 7.2
79 1 9 -2 31.59 63.18 0.34 5.15 4 6.4 0.4
80 1 3 -4 31.656 63.312 0.341 5.13 4 31.2 9.3
81 2 7 -3 31.86 63.721 0.343 5.05 4 2.6 0.1
82 3 5 0 32.287 64.574 0.347 4.91 4 60.4 33.3
83 2 4 -4 32.334 64.669 0.347 4.89 4 53.0 25.5
84 2 7 1 32.354 64.709 0.347 4.89 4 24.5 5.4
85 1 10 -1 32.387 64.774 0.348 4.88 4 88.8 71.3
86 3 1 -4 32.426 64.851 0.348 4.86 4 84.7 64.7
87 2 9 -1 32.567 65.135 0.349 4.82 4 36.9 12.1
88 2 4 2 33.068 66.136 0.354 4.66 4 39.4 13.4
89 1 4 3 33.253 66.505 0.356 4.61 4 131.8 148.4
90 0 7 3 33.368 66.737 0.357 4.58 4 37.2 11.7
91 3 7 -2 33.473 66.947 0.358 4.55 4 41.8 14.8
92 4 0 -2 33.542 67.084 0.359 4.53 2 171.5 123.4
93 3 6 -3 33.559 67.117 0.359 4.52 4 39.6 13.1
94 1 8 -3 33.567 67.134 0.359 4.52 4 81.5 55.6
95 0 0 4 33.727 67.454 0.36 4.47 2 155.3 100.0
96 3 3 -4 33.746 67.492 0.361 4.47 4 24.9 5.1
97 3 2 1 33.832 67.664 0.361 4.44 4 105.5 91.6
98 4 2 -2 34.194 68.389 0.365 4.35 4 69.9 39.4
99 1 5 -4 34.302 68.603 0.366 4.32 4 37.3 11.2
100 0 2 4 34.378 68.756 0.367 4.3 4 40.8 13.2
101 4 1 -3 34.654 69.308 0.369 4.23 4 64.4 32.6
102 1 10 1 34.902 69.804 0.371 4.17 4 158.7 194.6
103 4 1 -1 35.128 70.256 0.374 4.11 4 1.7 0.0
104 0 11 1 35.553 71.106 0.377 4.02 4 70.7 37.2
105 2 6 -4 35.594 71.188 0.378 4.01 4 96.9 69.7
106 0 10 2 35.703 71.405 0.379 3.98 4 41.9 13.0
107 3 4 1 35.765 71.53 0.379 3.97 4 111.2 90.9
108 1 11 0 35.862 71.725 0.38 3.95 4 81.7 48.9
109 4 3 -3 35.935 71.869 0.381 3.93 4 68.2 34.0
110 3 8 -1 36.069 72.139 0.382 3.9 4 96.9 68.0
111 4 4 -2 36.119 72.238 0.383 3.89 4 42.3 12.9
112 3 7 0 36.185 72.37 0.383 3.88 4 71.2 36.5
113 2 6 2 36.296 72.593 0.384 3.86 4 133.1 126.6
114 0 4 4 36.298 72.596 0.384 3.86 4 84.5 51.0
115 3 5 -4 36.316 72.633 0.384 3.85 4 26.8 5.1
116 4 3 -1 36.402 72.803 0.385 3.84 4 39.4 11.0
117 1 6 3 36.473 72.946 0.386 3.82 4 9.6 0.6
118 1 9 2 36.593 73.185 0.387 3.8 4 0.9 0.0
119 2 10 -2 36.699 73.399 0.388 3.78 4 34.3 8.2
120 2 10 0 36.931 73.862 0.39 3.73 4 16.1 1.8
121 2 9 -3 37.046 74.091 0.391 3.71 4 48.7 16.3
122 2 9 1 37.507 75.014 0.395 3.63 4 45.4 13.8
123 4 0 -4 37.738 75.477 0.397 3.59 2 89.1 26.4
124 3 8 -3 38.019 76.037 0.4 3.54 4 118.7 92.5
125 0 12 0 38.023 76.046 0.4 3.54 2 108.4 38.6
126 2 1 -5 38.026 76.053 0.4 3.54 4 3.8 0.1
127 1 11 -2 38.045 76.09 0.4 3.54 4 6.8 0.3
128 1 7 -4 38.106 76.211 0.401 3.53 4 86.1 48.5
129 4 2 -4 38.361 76.721 0.403 3.49 4 67.9 29.8
130 4 5 -3 38.444 76.887 0.404 3.47 4 5.9 0.2
131 0 9 3 38.46 76.919 0.404 3.47 4 34.6 7.7
132 3 9 -2 38.559 77.118 0.405 3.46 4 14.2 1.3
133 4 0 0 38.654 77.308 0.405 3.44 2 127.5 51.8
134 3 6 1 38.898 77.795 0.408 3.4 4 52.5 17.4
135 4 5 -1 38.9 77.799 0.408 3.4 4 49.2 15.3
136 2 1 3 38.94 77.879 0.408 3.4 4 5.8 0.2
137 2 11 -1 38.948 77.896 0.408 3.4 4 25.8 4.2
138 4 6 -2 39.241 78.482 0.411 3.36 4 91.2 51.7
139 2 3 -5 39.264 78.529 0.411 3.35 4 40.6 10.3
140 1 10 -3 39.265 78.53 0.411 3.35 4 109.4 74.4
141 4 2 0 39.271 78.543 0.411 3.35 4 102.5 65.3
142 1 12 -1 39.398 78.795 0.412 3.33 4 43.6 11.8
143 0 6 4 39.415 78.83 0.412 3.33 4 106.2 69.6
144 3 2 -5 39.705 79.411 0.415 3.29 4 102.9 64.6
145 2 8 -4 39.964 79.927 0.417 3.26 4 85.9 44.6
146 3 7 -4 40.047 80.095 0.418 3.25 4 42.2 10.7
147 1 2 -5 40.131 80.262 0.418 3.24 4 128.6 99.3
148 2 3 3 40.17 80.339 0.419 3.23 4 60.3 21.8
149 1 1 4 40.179 80.359 0.419 3.23 4 55.9 18.8
150 4 4 -4 40.209 80.418 0.419 3.23 4 46.2 12.8
151 3 1 2 40.431 80.862 0.421 3.2 4 50.3 15.0
152 2 8 2 40.64 81.28 0.423 3.18 4 109.0 70.1
153 1 8 3 40.811 81.622 0.424 3.16 4 116.8 79.9
154 4 4 0 41.109 82.219 0.427 3.13 4 31.8 5.9
155 3 9 0 41.143 82.286 0.427 3.12 4 11.0 0.7
156 1 3 4 41.4 82.801 0.429 3.1 4 40.7 9.5
157 3 4 -5 41.539 83.077 0.43 3.08 4 115.7 76.6
158 3 10 -1 41.641 83.281 0.431 3.07 4 87.8 43.9
159 3 3 2 41.65 83.301 0.431 3.07 4 47.1 12.7
160 2 5 -5 41.711 83.422 0.432 3.07 4 50.4 14.5
161 1 12 1 41.745 83.491 0.432 3.06 4 27.2 4.2
162 1 4 -5 41.96 83.921 0.434 3.04 4 101.6 58.2
163 4 7 -3 42.119 84.238 0.435 3.03 4 10.6 0.6
164 0 12 2 42.504 85.009 0.439 2.99 4 116.7 75.6
165 4 7 -1 42.566 85.132 0.439 2.99 4 32.7 5.9
166 2 5 3 42.605 85.21 0.439 2.99 4 48.0 12.8
167 1 11 2 42.749 85.499 0.441 2.97 4 6.4 0.2
168 0 13 1 42.968 85.937 0.442 2.96 4 7.0 0.3
169 1 9 -4 43.001 86.003 0.443 2.95 4 39.8 8.7
170 3 8 1 43.17 86.339 0.444 2.94 4 79.5 34.5
171 2 11 -3 43.185 86.37 0.444 2.94 4 41.4 9.3
172 4 6 -4 43.25 86.5 0.445 2.94 4 133.8 97.5
173 1 13 0 43.262 86.524 0.445 2.93 4 43.6 10.4
174 4 1 -5 43.263 86.527 0.445 2.93 4 3.1 0.1
175 2 12 -2 43.457 86.914 0.446 2.92 4 114.8 71.3
176 4 8 -2 43.506 87.013 0.447 2.92 4 86.5 40.5
177 3 10 -3 43.522 87.044 0.447 2.92 4 167.7 152.1
178 2 11 1 43.63 87.261 0.448 2.91 4 25.3 3.5
179 0 8 4 43.677 87.354 0.448 2.91 4 80.9 35.3
180 2 12 0 43.68 87.359 0.448 2.91 4 99.3 53.1
181 1 5 4 43.825 87.65 0.449 2.9 4 19.7 2.1
182 3 5 2 44.073 88.147 0.452 2.88 4 49.4 13.0
183 0 1 5 44.102 88.204 0.452 2.88 4 33.2 5.9
184 4 6 0 44.14 88.281 0.452 2.88 4 114.0 69.2
185 5 1 -2 44.251 88.501 0.453 2.87 4 36.0 6.9
186 5 2 -3 44.426 88.851 0.454 2.86 4 83.1 36.6
187 4 3 -5 44.472 88.944 0.455 2.86 4 57.0 17.2
188 0 11 3 44.555 89.11 0.455 2.85 4 42.7 9.6
189 3 6 -5 44.566 89.133 0.456 2.85 4 21.7 2.5
190 4 1 1 44.599 89.198 0.456 2.85 4 36.7 7.1
191 3 11 -2 44.652 89.304 0.456 2.85 4 36.7 7.1
192 3 9 -4 44.903 89.806 0.458 2.83 4 11.1 0.6
193 1 6 -5 44.985 89.971 0.459 2.83 4 10.0 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 5.893 11.785 7.503 2554.9 86.8 87.4 5.6
2 0 1 1 8.511 17.022 5.20473 228.6 7.8 7.8 5.6
3 1 1 0 9.461 18.922 4.68613 464.0 15.8 15.8 5.6
4 1 2 -1 10.618 21.236 4.18031 2942.4 100.0 100.0 5.6
5 0 4 0 11.849 23.697 3.7515 323.7 11.0 11.0 5.6
6 0 3 1 11.965 23.931 3.71539 260.7 8.9 8.8 5.6
7 1 1 -2 14.609 29.218 3.05403 69.1 2.4 2.3 5.6
8 1 4 -1 14.837 29.674 3.00808 1841.0 62.6 62.2 5.6
9 1 2 1 15.832 31.664 2.82341 1112.0 37.8 37.5 5.6
10 0 0 2 16.118 32.236 2.77461 227.6 7.7 7.7 5.6
11 0 2 2 17.217 34.434 2.60237 792.2 26.9 26.6 5.7
12 2 0 -2 17.82 35.64 2.51701 148.7 5.1 5.0 5.7
13 0 6 0 17.938 35.876 2.501 94.5 3.2 3.2 5.7
14 2 0 0 18.198 36.397 2.46641 404.0 13.7 13.6 5.7
15 2 3 -1 18.439 36.878 2.43534 247.4 8.4 8.3 5.7
16 2 2 -2 18.832 37.664 2.38632 195.7 6.7 6.6 5.7
17 1 4 1 19.005 38.01 2.36535 304.6 10.4 10.2 5.7
18 2 2 0 19.193 38.386 2.34307 43.6 1.5 1.5 5.7
19 1 5 -2 20.865 41.729 2.16272 429.1 14.6 14.3 5.7
20 2 4 -2 21.625 43.25 2.09016 76.5 2.6 2.6 5.7
21 2 4 0 21.948 43.895 2.06091 354.2 12.0 11.8 5.7
22 2 5 -1 22.154 44.308 2.04267 286.9 9.7 9.6 5.7
23 1 1 2 22.347 44.695 2.02588 297.5 10.1 9.9 5.7
24 1 2 -3 22.595 45.19 2.00483 263.1 8.9 8.8 5.7
25 0 7 1 22.656 45.312 1.99969 30.1 1.0 1.0 5.7
26 2 1 -3 22.959 45.917 1.97474 155.0 5.3 5.2 5.7
27 1 7 0 23.066 46.131 1.96608 229.0 7.8 7.6 5.7
28 2 1 1 23.572 47.143 1.92621 136.2 4.6 4.5 5.7
29 0 8 0 24.246 48.492 1.87575 60.8 2.1 2.0 5.7
30 0 6 2 24.497 48.994 1.85769 514.8 17.5 17.1 5.7
31 2 3 -3 24.596 49.191 1.8507 114.7 3.9 3.8 5.7
32 3 1 -2 24.935 49.869 1.82711 171.1 5.8 5.7 5.7
33 1 4 -3 25.047 50.095 1.81942 375.0 12.7 12.4 5.7
34 2 3 1 25.178 50.356 1.81057 106.5 3.6 3.5 5.8
35 2 6 -2 25.733 51.466 1.77411 710.8 24.2 23.5 5.8
36 1 7 -2 25.848 51.697 1.76673 44.0 1.5 1.5 5.8
37 2 6 0 26.016 52.033 1.75612 464.7 15.8 15.3 5.8
38 0 3 3 26.359 52.717 1.73491 102.3 3.5 3.4 5.8
39 1 5 2 27.12 54.24 1.68974 42.3 1.4 1.4 5.8
40 3 4 -1 27.984 55.967 1.64162 247.9 8.4 8.1 5.8
41 3 2 -3 28.059 56.118 1.63756 125.8 4.3 4.1 5.8
42 1 6 -3 28.79 57.58 1.59942 53.3 1.8 1.7 5.8
43 1 8 1 28.83 57.66 1.5974 268.4 9.1 8.8 5.8
44 2 0 -4 29.596 59.192 1.55966 181.9 6.2 5.9 5.8
45 0 8 2 29.715 59.43 1.55396 70.6 2.4 2.3 5.8
46 3 4 -3 30.19 60.38 1.53176 77.0 2.6 2.5 5.8
47 2 2 -4 30.294 60.588 1.52702 62.9 2.1 2.1 5.8
48 2 0 2 30.367 60.733 1.52371 55.3 1.9 1.8 5.8
49 2 8 -2 30.807 61.613 1.50404 96.4 3.3 3.1 5.8
50 2 8 0 31.059 62.118 1.49303 102.2 3.5 3.3 5.8
51 1 2 3 31.245 62.49 1.48502 58.5 2.0 1.9 5.8
52 3 5 0 32.287 64.574 1.44203 33.3 1.1 1.1 5.9
53 2 4 -4 32.334 64.669 1.44016 30.9 1.1 1.0 5.9
54 1 10 -1 32.387 64.774 1.43807 71.3 2.4 2.3 5.9
55 3 1 -4 32.426 64.851 1.43654 64.7 2.2 2.1 5.9
56 1 4 3 33.253 66.505 1.40477 148.4 5.0 4.8 5.9
57 4 0 -2 33.542 67.084 1.39405 192.1 6.5 6.2 5.9
58 0 0 4 33.727 67.454 1.3873 105.1 3.6 3.4 5.9
59 3 2 1 33.832 67.664 1.38351 91.6 3.1 3.0 5.9
60 4 2 -2 34.194 68.389 1.3706 39.4 1.3 1.3 5.9
61 4 1 -3 34.654 69.308 1.35465 32.6 1.1 1.0 5.9
62 1 10 1 34.902 69.804 1.34624 194.6 6.6 6.3 5.9
63 0 11 1 35.553 71.106 1.32474 37.2 1.3 1.2 5.9
64 2 6 -4 35.594 71.188 1.32341 69.7 2.4 2.2 5.9
65 3 4 1 35.765 71.53 1.31793 90.9 3.1 2.9 5.9
66 1 11 0 35.862 71.725 1.31483 48.9 1.7 1.6 5.9
67 4 3 -3 35.935 71.869 1.31254 34.0 1.2 1.1 5.9
68 3 8 -1 36.069 72.139 1.3083 68.0 2.3 2.2 5.9
69 3 7 0 36.185 72.37 1.30468 36.5 1.2 1.2 5.9
70 2 6 2 36.296 72.593 1.30123 182.8 6.2 5.8 6.0
71 3 8 -3 38.019 76.037 1.25062 131.4 4.5 4.2 6.0
72 1 7 -4 38.106 76.211 1.2482 48.5 1.6 1.5 6.0
73 4 2 -4 38.361 76.721 1.24117 29.8 1.0 0.9 6.0
74 4 0 0 38.654 77.308 1.23321 51.8 1.8 1.6 6.0
75 3 6 1 38.898 77.795 1.2267 32.7 1.1 1.0 6.0
76 1 10 -3 39.265 78.53 1.21705 201.6 6.9 6.4 6.0
77 0 6 4 39.415 78.83 1.21316 81.4 2.8 2.6 6.0
78 3 2 -5 39.705 79.411 1.20575 64.6 2.2 2.0 6.0
79 2 8 -4 39.964 79.927 1.19925 44.6 1.5 1.4 6.0
80 1 2 -5 40.131 80.262 1.19509 99.3 3.4 3.1 6.0
81 2 3 3 40.17 80.339 1.19414 40.6 1.4 1.3 6.0
82 2 8 2 40.64 81.28 1.18267 70.1 2.4 2.2 6.1
83 1 8 3 40.811 81.622 1.17858 79.9 2.7 2.5 6.1
84 3 4 -5 41.539 83.077 1.16159 76.6 2.6 2.4 6.1
85 3 10 -1 41.641 83.281 1.15927 56.6 1.9 1.8 6.1
86 1 4 -5 41.96 83.921 1.15205 58.2 2.0 1.8 6.1
87 0 12 2 42.504 85.009 1.14006 75.6 2.6 2.4 6.1
88 3 8 1 43.17 86.339 1.12588 43.8 1.5 1.4 6.1
89 4 6 -4 43.25 86.5 1.1242 107.9 3.7 3.3 6.1
90 2 12 -2 43.457 86.914 1.1199 71.3 2.4 2.2 6.1
91 3 10 -3 43.522 87.044 1.11857 192.5 6.5 6.0 6.1
92 2 12 0 43.68 87.359 1.11534 88.4 3.0 2.7 6.2
93 4 6 0 44.14 88.281 1.10606 69.2 2.4 2.1 6.2
94 5 2 -3 44.426 88.851 1.10043 36.6 1.2 1.1 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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