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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ORTHOMINASRAGRITE
1, f-minasrargite
VO[SO(4)].5H(2)O
Orthorhombic P mn2(1) Z = 2
R =0.044 NR =1007
28 .10 .1902
Ref.Str.:
F.C. Hawthorne, M.Schindler, J.D. Grice, P.Haynes (2001)
* Canad. Mineral., 39, 1325-1321
Reserv:
There are U(ij) in the article. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.242 alpha = 90.0
b = 9.319 beta = 90.0
c = 6.192 gamma = 90.0
Unit cell volume (cub. angs.) = 417.89
Molar volume ( cub.cm/mol.) = 125.85
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.2867 0.0 0.0 V = 1.00
2 0.0 0.7647 0.9762 0.0 S = 1.00
3 0.0 0.3468 0.239 0.0 O = 1.00
4 0.0 0.1708 0.6848 0.0 O = 1.00
5 0.203 0.139 0.0459 0.0 O = 1.00
6 0.1938 0.4154 0.8681 0.0 O = 1.00
7 0.1653 0.8563 0.9571 0.0 O = 1.00
8 0.0 0.6608 0.7997 0.0 O = 1.00
9 0.0 0.6911 0.1881 0.0 O = 1.00
10 0.0 0.157 0.528 0.0 H = 1.00
11 0.0 0.256 0.592 0.0 H = 1.00
12 0.164 0.045 0.993 0.0 H = 1.00
13 0.274 0.131 0.18 0.0 H = 1.00
14 0.306 0.37 0.812 0.0 H = 1.00
15 0.189 0.517 0.829 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.2867 0.0
2 2 0.0 0.7647 0.9762
3 3 0.0 0.3468 0.239
4 4 0.0 0.1708 0.6848
5 5 0.203 0.139 0.0459
6 6 0.1938 0.4154 0.8681
7 7 0.1653 0.8563 0.9571
8 8 0.0 0.6608 0.7997
9 9 0.0 0.6911 0.1881
10 10 0.0 0.157 0.528
11 11 0.0 0.256 0.592
12 12 0.164 0.045 0.993
13 13 0.274 0.131 0.18
14 14 0.306 0.37 0.812
15 15 0.189 0.517 0.829
16 1 0.5 0.7133 0.5
17 2 0.5 0.2353 0.4762
18 3 0.5 0.6532 0.739
19 4 0.5 0.8292 0.1848
20 5 0.297 0.861 0.5459
21 6 0.3062 0.5846 0.3681
22 7 0.3347 0.1437 0.4571
23 8 0.5 0.3392 0.2997
24 9 0.5 0.3089 0.6881
25 10 0.5 0.843 0.028
26 11 0.5 0.744 0.092
27 12 0.336 0.955 0.493
28 13 0.226 0.869 0.68
29 14 0.194 0.63 0.312
30 15 0.311 0.483 0.329
31 5 0.797 0.139 0.0459
32 6 0.8062 0.4154 0.8681
33 7 0.8347 0.8563 0.9571
34 12 0.836 0.045 0.993
35 13 0.726 0.131 0.18
36 14 0.694 0.37 0.812
37 15 0.811 0.517 0.829
38 5 0.703 0.861 0.5459
39 6 0.6938 0.5846 0.3681
40 7 0.6653 0.1437 0.4571
41 12 0.664 0.955 0.493
42 13 0.774 0.869 0.68
43 14 0.806 0.63 0.312
44 15 0.689 0.483 0.329
X-ray density (g/cm cub.) = 2.01
MU (1/cm) = 131.644 Mass attenuation coefficient (cm**2/g) = 65.476
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 V 2.496 6
1.5823 3
2.2306 4
2.0339 5
2.0187 6
2.0339 5
2.0187 6
2 S 1.98 4
1.475 7
1.4601 8
1.4805 9
1.475 7
3 O 3.264 8
3.2109 4
2.7094 5
2.7664 6
3.224 9
3.2353 6
2.7094 5
2.7664 6
3.2353 6
4 O 3.264 7
3.2109 3
2.6923 5
2.9075 6
2.8155 7
2.6923 5
2.9075 6
2.8155 7
5 O 3.264 7
2.7094 3
2.6923 4
2.802 6
2.7051 7
2.7193 7
3.2522 8
2.9403 5
6 O 3.264 7
2.7664 3
2.9075 4
2.802 5
2.7164 8
3.2353 3
2.6729 9
2.807 6
7 O 3.264 6
2.7051 5
2.3879 8
2.4185 9
2.8155 4
2.7193 5
2.3942 7
8 O 3.264 7
2.7164 6
2.3879 7
2.4215 9
3.2522 5
2.7164 6
2.3879 7
3.2522 5
9 O 3.264 6
3.224 3
2.4185 7
2.4215 8
2.6729 6
2.4185 7
2.6729 6
10 H 1.632 1
0.9794 4
11 H 1.632 1
0.9801 4
12 H 1.632 1
0.9769 5
13 H 1.632 1
0.9795 5
14 H 1.632 1
0.9797 6
15 H 1.632 1
0.9779 6
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 1 0 4.741 9.483 0.054 289.75 2 7.6 19.2
2 1 1 0 7.742 15.483 0.087 107.27 4 5.9 8.5
3 0 1 1 8.59 17.179 0.097 86.72 4 4.5 4.0
4 1 0 1 9.42 18.84 0.106 71.73 4 96.6 1532.1
5 0 2 0 9.515 19.031 0.107 70.26 2 83.1 556.2
6 1 1 1 10.565 21.131 0.119 56.58 8 8.3 17.7
7 1 2 0 11.337 22.673 0.128 48.87 4 10.7 12.8
8 0 2 1 11.94 23.88 0.134 43.84 4 34.9 122.3
9 2 0 0 12.282 24.564 0.138 41.32 2 52.2 129.1
10 2 1 0 13.192 26.385 0.148 35.55 4 21.6 38.1
11 1 2 1 13.452 26.904 0.151 34.11 8 55.2 476.7
12 0 3 0 14.357 28.715 0.161 29.7 2 8.9 2.7
13 0 0 2 14.406 28.813 0.161 29.48 2 59.7 120.5
14 2 1 1 15.065 30.131 0.169 26.79 8 20.4 51.0
15 0 1 2 15.199 30.398 0.17 26.29 4 49.5 147.8
16 2 2 0 15.629 31.258 0.175 24.76 4 84.9 409.3
17 1 3 0 15.654 31.307 0.175 24.68 4 10.4 6.1
18 0 3 1 16.107 32.213 0.18 23.2 4 22.3 26.4
19 1 1 2 16.435 32.87 0.184 22.21 8 20.4 42.3
20 2 2 1 17.262 34.524 0.193 19.96 8 47.8 208.6
21 1 3 1 17.284 34.569 0.193 19.91 8 27.0 66.6
22 0 2 2 17.38 34.761 0.194 19.67 4 43.5 85.2
23 1 2 2 18.487 36.973 0.206 17.18 8 36.5 105.0
24 2 3 0 19.069 38.139 0.212 16.04 4 59.2 128.9
25 2 0 2 19.108 38.215 0.212 15.97 4 18.7 12.8
26 3 1 0 19.246 38.491 0.214 15.72 4 5.3 1.0
27 0 4 0 19.307 38.614 0.215 15.61 2 31.3 17.6
28 2 1 2 19.732 39.463 0.219 14.88 8 21.0 30.0
29 3 0 1 20.028 40.056 0.222 14.39 4 12.6 5.2
30 1 4 0 20.323 40.646 0.225 13.93 4 7.9 2.0
31 2 3 1 20.463 40.925 0.227 13.72 8 21.6 29.4
32 0 3 2 20.565 41.13 0.228 13.57 4 34.7 37.3
33 3 1 1 20.629 41.258 0.229 13.47 8 31.2 60.1
34 0 4 1 20.687 41.373 0.229 13.39 4 30.0 27.6
35 3 2 0 21.061 42.123 0.233 12.86 4 16.2 7.8
36 2 2 2 21.513 43.027 0.238 12.26 8 27.4 42.1
37 1 3 2 21.532 43.064 0.238 12.24 8 10.7 6.5
38 1 4 1 21.649 43.298 0.239 12.09 8 21.6 25.7
39 3 2 1 22.352 44.703 0.247 11.25 8 49.7 127.5
40 0 1 3 22.473 44.945 0.248 11.12 4 27.5 19.3
41 1 0 3 22.834 45.668 0.252 10.72 4 49.0 58.9
42 2 4 0 23.151 46.301 0.255 10.39 4 53.0 66.9
43 1 1 3 23.376 46.752 0.258 10.17 8 20.2 19.1
44 3 3 0 23.836 47.671 0.262 9.73 4 14.1 4.4
45 0 2 3 24.09 48.18 0.265 9.5 4 51.1 56.8
46 2 3 2 24.246 48.493 0.267 9.36 8 13.6 8.0
47 2 4 1 24.353 48.707 0.268 9.27 8 37.4 59.4
48 3 1 2 24.392 48.784 0.268 9.23 8 13.7 7.9
49 0 5 0 24.411 48.823 0.268 9.22 2 19.4 4.0
50 0 4 2 24.443 48.885 0.269 9.19 4 22.9 11.1
51 1 2 3 24.949 49.897 0.274 8.77 8 43.2 74.9
52 3 3 1 25.013 50.026 0.274 8.72 8 52.2 108.8
53 4 0 0 25.179 50.358 0.276 8.59 2 86.2 73.1
54 1 5 0 25.262 50.523 0.277 8.53 4 3.0 0.2
55 1 4 2 25.292 50.584 0.277 8.5 8 44.5 77.0
56 0 5 1 25.569 51.138 0.28 8.29 4 21.5 8.8
57 4 1 0 25.684 51.368 0.281 8.21 4 17.0 5.5
58 3 2 2 25.918 51.837 0.284 8.04 8 30.6 34.5
59 2 1 3 25.941 51.882 0.284 8.03 8 33.9 42.3
60 1 5 1 26.392 52.784 0.289 7.72 8 27.6 27.0
61 0 3 3 26.62 53.24 0.291 7.57 4 24.5 10.4
62 4 1 1 26.802 53.604 0.293 7.45 8 12.3 5.1
63 4 2 0 27.158 54.315 0.296 7.23 4 60.1 59.7
64 3 4 0 27.354 54.709 0.298 7.11 4 19.0 5.9
65 2 2 3 27.405 54.81 0.299 7.08 8 32.1 33.4
66 1 3 3 27.421 54.841 0.299 7.07 8 17.0 9.3
67 2 5 0 27.698 55.397 0.302 6.91 4 27.3 11.8
68 2 4 2 27.727 55.454 0.302 6.9 8 60.6 115.9
69 4 2 1 28.235 56.47 0.307 6.62 8 13.2 5.3
70 3 3 2 28.331 56.661 0.308 6.57 8 8.4 2.1
71 3 4 1 28.427 56.853 0.309 6.52 8 61.6 113.2
72 2 5 1 28.762 57.525 0.312 6.35 8 4.6 0.6
73 0 5 2 28.842 57.684 0.313 6.31 4 26.7 10.3
74 3 0 3 29.407 58.814 0.319 6.04 4 25.7 9.1
75 4 3 0 29.501 59.002 0.32 5.99 4 27.3 10.2
76 4 0 2 29.529 59.057 0.32 5.98 4 18.4 4.6
77 1 5 2 29.603 59.205 0.321 5.95 8 12.2 4.1
78 0 6 0 29.732 59.464 0.322 5.89 2 9.8 0.7
79 2 3 3 29.736 59.472 0.322 5.89 8 11.0 3.2
80 0 0 4 29.841 59.682 0.323 5.84 2 52.2 18.2
81 3 1 3 29.863 59.725 0.323 5.83 8 17.4 8.1
82 0 4 3 29.907 59.813 0.324 5.81 4 45.5 27.5
83 4 1 2 29.983 59.966 0.324 5.78 8 9.5 2.4
84 0 1 4 30.293 60.585 0.327 5.65 4 15.2 3.0
85 1 6 0 30.479 60.958 0.329 5.57 4 23.5 7.0
86 4 3 1 30.525 61.05 0.33 5.55 8 6.6 1.1
87 1 4 3 30.651 61.302 0.331 5.5 8 27.0 18.4
88 0 6 1 30.751 61.502 0.332 5.46 4 32.7 13.4
89 1 1 4 31.031 62.063 0.335 5.36 8 15.7 6.0
90 3 2 3 31.205 62.409 0.336 5.29 8 28.6 19.9
91 4 2 2 31.322 62.644 0.337 5.25 8 28.6 19.6
92 3 5 0 31.475 62.951 0.339 5.19 4 20.9 5.2
93 1 6 1 31.483 62.967 0.339 5.19 8 15.2 5.5
94 3 4 2 31.502 63.004 0.339 5.18 8 34.4 28.2
95 0 2 4 31.624 63.248 0.34 5.14 4 53.1 33.2
96 2 5 2 31.818 63.635 0.342 5.07 8 10.8 2.7
97 1 2 4 32.345 64.69 0.347 4.89 8 17.9 7.2
98 3 5 1 32.462 64.925 0.348 4.85 8 21.7 10.4
99 5 1 0 32.561 65.122 0.349 4.82 4 19.2 4.1
100 4 4 0 32.603 65.206 0.35 4.81 4 19.0 4.0
101 2 6 0 32.659 65.318 0.35 4.79 4 4.3 0.2
102 2 0 4 32.763 65.525 0.351 4.76 4 56.9 35.3
103 2 4 3 32.825 65.65 0.352 4.74 8 25.2 13.8
104 5 0 1 33.105 66.209 0.355 4.65 4 73.7 58.0
105 2 1 4 33.191 66.383 0.355 4.63 8 24.3 12.5
106 3 3 3 33.372 66.744 0.357 4.57 8 8.9 1.7
107 4 3 2 33.485 66.971 0.358 4.54 8 9.0 1.7
108 5 1 1 33.531 67.062 0.359 4.53 8 5.2 0.6
109 4 4 1 33.572 67.145 0.359 4.52 8 20.6 8.8
110 2 6 1 33.628 67.255 0.359 4.5 8 32.6 22.0
111 0 6 2 33.7 67.401 0.36 4.48 4 31.6 10.3
112 0 3 4 33.777 67.554 0.361 4.46 4 13.6 1.9
113 0 5 3 33.838 67.676 0.361 4.44 4 17.9 3.3
114 5 2 0 33.843 67.686 0.362 4.44 4 7.5 0.6
115 1 6 2 34.399 68.798 0.367 4.29 8 37.6 27.9
116 2 2 4 34.461 68.922 0.367 4.28 8 35.5 24.7
117 1 3 4 34.475 68.95 0.367 4.27 8 11.7 2.7
118 1 5 3 34.535 69.071 0.368 4.26 8 9.0 1.6
119 5 2 1 34.795 69.59 0.37 4.19 8 38.1 27.9
120 4 1 3 34.886 69.772 0.371 4.17 8 27.6 14.6
121 3 5 2 35.337 70.673 0.375 4.07 8 15.3 4.3
122 0 7 0 35.352 70.704 0.376 4.06 2 45.7 9.7
123 5 3 0 35.929 71.858 0.381 3.93 4 16.3 2.4
124 1 7 0 36.036 72.072 0.382 3.91 4 10.2 0.9
125 4 2 3 36.128 72.256 0.383 3.89 8 13.0 3.0
126 3 6 0 36.138 72.275 0.383 3.89 4 27.4 6.7
127 0 7 1 36.286 72.573 0.384 3.86 4 1.5 0.0
128 3 4 3 36.296 72.591 0.384 3.86 8 41.9 31.1
129 5 1 2 36.365 72.73 0.385 3.84 8 16.0 4.5
130 4 5 0 36.38 72.76 0.385 3.84 4 18.3 2.9
131 4 4 2 36.405 72.809 0.385 3.84 8 41.3 30.0
132 2 6 2 36.458 72.916 0.386 3.82 8 43.7 33.4
133 2 3 4 36.532 73.064 0.386 3.81 8 27.5 13.2
134 2 5 3 36.591 73.182 0.387 3.8 8 29.8 15.5
135 3 1 4 36.646 73.292 0.387 3.79 8 22.9 9.1
136 0 4 4 36.686 73.371 0.388 3.78 4 20.5 3.6
137 5 3 1 36.857 73.715 0.389 3.75 8 11.7 2.4
138 1 7 1 36.963 73.926 0.39 3.73 8 23.9 9.8
139 3 6 1 37.064 74.127 0.391 3.71 8 23.5 9.4
140 4 5 1 37.304 74.608 0.393 3.66 8 12.4 2.6
141 1 4 4 37.36 74.72 0.394 3.65 8 30.8 15.9
142 5 2 2 37.587 75.174 0.396 3.61 8 25.6 10.9
143 3 2 4 37.865 75.729 0.398 3.57 8 31.0 15.7
144 2 7 0 38.058 76.117 0.4 3.53 4 14.2 1.6
145 4 3 3 38.161 76.323 0.401 3.52 8 12.3 2.4
146 0 6 3 38.365 76.731 0.403 3.49 4 37.6 11.3
147 5 4 0 38.771 77.542 0.406 3.42 4 0.6 0.0
148 0 1 5 38.863 77.727 0.407 3.41 4 43.4 14.7
149 2 7 1 38.968 77.937 0.408 3.39 8 16.3 4.1
150 1 6 3 39.029 78.059 0.409 3.39 8 14.9 3.5
151 0 7 2 39.037 78.074 0.409 3.38 4 38.2 11.3
152 1 0 5 39.126 78.252 0.41 3.37 4 43.0 14.3
153 2 4 4 39.358 78.717 0.412 3.34 8 22.4 7.7
154 1 1 5 39.525 79.05 0.413 3.32 8 11.9 2.1
155 5 3 2 39.595 79.189 0.414 3.31 8 10.0 1.5
156 6 0 0 39.656 79.312 0.414 3.3 2 84.3 26.8
157 5 4 1 39.676 79.352 0.414 3.3 8 9.8 1.5
158 1 7 2 39.698 79.396 0.415 3.29 8 13.8 2.9
159 3 6 2 39.796 79.593 0.415 3.28 8 41.4 25.7
160 3 3 4 39.868 79.736 0.416 3.27 8 22.9 7.9
161 3 5 3 39.926 79.851 0.417 3.26 8 8.5 1.1
162 4 5 2 40.031 80.063 0.418 3.25 8 11.7 2.0
163 6 1 0 40.054 80.108 0.418 3.25 4 6.1 0.3
164 0 2 5 40.06 80.12 0.418 3.25 4 11.7 1.0
165 0 5 4 40.304 80.608 0.42 3.22 4 28.5 6.0
166 5 0 3 40.519 81.037 0.422 3.19 4 35.8 9.4
167 1 2 5 40.717 81.433 0.423 3.17 8 38.8 21.9
168 4 6 0 40.8 81.601 0.424 3.16 4 1.4 0.0
169 4 0 4 40.896 81.791 0.425 3.15 4 39.7 11.4
170 5 1 3 40.914 81.829 0.425 3.15 8 22.4 7.2
171 6 1 1 40.952 81.903 0.425 3.14 8 5.1 0.4
172 4 4 3 40.953 81.906 0.425 3.14 8 25.2 9.1
173 1 5 4 40.96 81.92 0.426 3.14 8 12.1 2.1
174 2 6 3 41.004 82.008 0.426 3.14 8 30.7 13.5
175 6 2 0 41.242 82.484 0.428 3.11 4 46.8 15.6
176 4 1 4 41.291 82.582 0.428 3.11 8 7.7 0.8
177 3 7 0 41.357 82.715 0.429 3.1 4 19.2 2.6
178 0 8 0 41.396 82.791 0.429 3.1 2 7.8 0.2
179 2 1 5 41.494 82.988 0.43 3.09 8 4.4 0.3
180 2 7 2 41.665 83.331 0.432 3.07 8 13.5 2.5
181 4 6 1 41.695 83.39 0.432 3.07 8 37.7 20.0
182 0 3 5 42.036 84.073 0.435 3.03 4 12.6 1.1
183 1 8 0 42.048 84.096 0.435 3.03 4 36.5 9.3
184 5 2 3 42.098 84.195 0.435 3.03 8 37.2 19.2
185 6 2 1 42.135 84.269 0.435 3.03 8 24.0 8.0
186 3 7 1 42.25 84.499 0.436 3.02 8 15.2 3.2
187 0 8 1 42.288 84.576 0.437 3.01 4 41.2 11.7
188 5 5 0 42.339 84.679 0.437 3.01 4 8.0 0.4
189 5 4 2 42.363 84.726 0.437 3.01 8 29.6 12.1
190 4 2 4 42.472 84.945 0.438 3.0 8 37.4 19.2
191 3 4 4 42.633 85.266 0.44 2.98 8 17.9 4.4
192 2 2 5 42.675 85.349 0.44 2.98 8 16.7 3.8
193 1 3 5 42.687 85.375 0.44 2.98 8 26.7 9.7
194 2 5 4 42.916 85.832 0.442 2.96 8 7.2 0.7
195 1 8 1 42.938 85.877 0.442 2.96 8 8.6 1.0
196 6 3 0 43.209 86.418 0.444 2.94 4 8.2 0.5
197 5 5 1 43.229 86.458 0.445 2.94 8 20.8 5.8
198 6 0 2 43.233 86.465 0.445 2.94 4 32.0 6.9
199 0 7 3 43.513 87.025 0.447 2.92 4 28.5 5.4
200 6 1 2 43.625 87.249 0.448 2.91 8 10.6 1.5
201 2 8 0 43.998 87.996 0.451 2.88 4 10.5 0.7
202 5 3 3 44.06 88.12 0.451 2.88 8 15.5 3.2
203 6 3 1 44.097 88.193 0.452 2.88 8 0.6 0.0
204 1 7 3 44.161 88.323 0.452 2.87 8 19.1 4.8
205 3 6 3 44.258 88.516 0.453 2.87 8 33.7 14.9
206 3 0 5 44.352 88.705 0.454 2.86 4 42.8 12.0
207 4 6 2 44.362 88.724 0.454 2.86 8 34.6 15.7
208 4 3 4 44.433 88.866 0.454 2.86 8 17.6 4.1
209 4 5 3 44.489 88.979 0.455 2.86 8 22.6 6.7
210 0 6 4 44.631 89.262 0.456 2.85 4 6.9 0.3
211 2 3 5 44.634 89.269 0.456 2.85 8 22.9 6.8
212 3 1 5 44.744 89.488 0.457 2.84 8 19.4 4.9
213 0 4 5 44.782 89.564 0.457 2.84 4 28.6 5.3
214 6 2 2 44.799 89.599 0.457 2.84 8 27.5 9.9
215 2 8 1 44.885 89.769 0.458 2.83 8 26.5 9.1
216 3 7 2 44.914 89.827 0.458 2.83 8 14.9 2.9
217 0 8 2 44.952 89.904 0.459 2.83 4 23.0 3.4
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 1 0 4.741 9.483 9.319 19.2 1.3 1.3 5.6
2 1 0 1 9.42 18.84 4.70627 1532.1 100.0 100.0 5.6
3 0 2 0 9.515 19.031 4.6595 556.2 36.3 36.3 5.6
4 1 1 1 10.565 21.131 4.20095 17.7 1.2 1.2 5.6
5 0 2 1 11.94 23.88 3.72312 122.3 8.0 8.0 5.6
6 2 0 0 12.282 24.564 3.621 129.1 8.4 8.4 5.6
7 2 1 0 13.192 26.385 3.37516 38.1 2.5 2.5 5.6
8 1 2 1 13.452 26.904 3.31118 476.7 31.1 30.9 5.6
9 0 0 2 14.406 28.813 3.096 120.5 7.9 7.8 5.6
10 2 1 1 15.065 30.131 2.9635 51.0 3.3 3.3 5.6
11 0 1 2 15.199 30.398 2.9381 147.8 9.6 9.6 5.6
12 2 2 0 15.629 31.258 2.85915 415.4 27.1 26.9 5.6
13 0 3 1 16.107 32.213 2.77653 26.4 1.7 1.7 5.6
14 1 1 2 16.435 32.87 2.72257 42.3 2.8 2.7 5.6
15 2 2 1 17.262 34.524 2.59579 275.2 18.0 17.7 5.7
16 0 2 2 17.38 34.761 2.57866 85.2 5.6 5.5 5.7
17 1 2 2 18.487 36.973 2.42926 105.0 6.9 6.8 5.7
18 2 3 0 19.069 38.139 2.35766 128.9 8.4 8.3 5.7
19 0 4 0 19.307 38.614 2.32975 17.6 1.1 1.1 5.7
20 2 1 2 19.732 39.463 2.28152 30.0 2.0 1.9 5.7
21 2 3 1 20.463 40.925 2.20335 29.4 1.9 1.9 5.7
22 0 3 2 20.565 41.13 2.19285 37.3 2.4 2.4 5.7
23 3 1 1 20.629 41.258 2.18635 60.1 3.9 3.9 5.7
24 0 4 1 20.687 41.373 2.18051 27.6 1.8 1.8 5.7
25 2 2 2 21.513 43.027 2.10047 48.5 3.2 3.1 5.7
26 1 4 1 21.649 43.298 2.08792 25.7 1.7 1.6 5.7
27 3 2 1 22.352 44.703 2.0255 127.5 8.3 8.1 5.7
28 0 1 3 22.473 44.945 2.01517 19.3 1.3 1.2 5.7
29 1 0 3 22.834 45.668 1.98496 58.9 3.8 3.8 5.7
30 2 4 0 23.151 46.301 1.95925 66.9 4.4 4.3 5.7
31 1 1 3 23.376 46.752 1.94141 19.1 1.2 1.2 5.7
32 0 2 3 24.09 48.18 1.88714 56.8 3.7 3.6 5.7
33 2 4 1 24.353 48.707 1.86797 59.4 3.9 3.8 5.7
34 1 2 3 24.949 49.897 1.82616 74.9 4.9 4.8 5.7
35 3 3 1 25.013 50.026 1.82174 108.8 7.1 6.9 5.7
36 4 0 0 25.179 50.358 1.8105 73.1 4.8 4.6 5.8
37 1 4 2 25.292 50.584 1.80295 77.0 5.0 4.9 5.8
38 2 1 3 25.941 51.882 1.76085 76.7 5.0 4.9 5.8
39 1 5 1 26.392 52.784 1.73286 27.0 1.8 1.7 5.8
40 4 2 0 27.158 54.315 1.68758 59.7 3.9 3.8 5.8
41 2 2 3 27.405 54.81 1.6735 42.8 2.8 2.7 5.8
42 2 4 2 27.727 55.454 1.65559 127.7 8.3 8.0 5.8
43 3 4 1 28.427 56.853 1.61812 113.2 7.4 7.1 5.8
44 0 0 4 29.841 59.682 1.548 26.3 1.7 1.6 5.8
45 0 4 3 29.907 59.813 1.54492 27.5 1.8 1.7 5.8
46 1 4 3 30.651 61.302 1.51092 18.4 1.2 1.1 5.8
47 3 2 3 31.205 62.409 1.48675 19.9 1.3 1.2 5.8
48 4 2 2 31.322 62.644 1.48175 19.6 1.3 1.2 5.8
49 3 4 2 31.502 63.004 1.47415 38.8 2.5 2.4 5.9
50 0 2 4 31.624 63.248 1.46905 33.2 2.2 2.1 5.9
51 2 0 4 32.763 65.525 1.42338 35.3 2.3 2.2 5.9
52 5 0 1 33.105 66.209 1.41033 58.0 3.8 3.6 5.9
53 2 6 1 33.628 67.255 1.39092 22.0 1.4 1.4 5.9
54 1 6 2 34.399 68.798 1.36344 27.9 1.8 1.7 5.9
55 2 2 4 34.461 68.922 1.36128 27.4 1.8 1.7 5.9
56 5 2 1 34.795 69.59 1.34985 27.9 1.8 1.7 5.9
57 3 4 3 36.296 72.591 1.30125 31.1 2.0 1.9 6.0
58 4 4 2 36.405 72.809 1.29789 30.0 2.0 1.8 6.0
59 2 6 2 36.458 72.916 1.29626 33.4 2.2 2.0 6.0
60 2 5 3 36.591 73.182 1.2922 15.5 1.0 0.9 6.0
61 1 4 4 37.36 74.72 1.26937 15.9 1.0 1.0 6.0
62 3 2 4 37.865 75.729 1.25494 15.7 1.0 1.0 6.0
63 6 0 0 39.656 79.312 1.207 28.3 1.8 1.7 6.0
64 3 6 2 39.796 79.593 1.20345 25.7 1.7 1.6 6.0
65 1 2 5 40.717 81.433 1.18083 21.9 1.4 1.3 6.1
66 4 0 4 40.896 81.791 1.17657 18.6 1.2 1.1 6.1
67 6 2 0 41.242 82.484 1.16843 15.6 1.0 0.9 6.1
68 4 6 1 41.695 83.39 1.15803 22.5 1.5 1.3 6.1
69 5 2 3 42.098 84.195 1.14899 19.2 1.3 1.1 6.1
70 4 2 4 42.472 84.945 1.14076 19.2 1.3 1.1 6.1
71 4 6 2 44.362 88.724 1.10167 27.7 1.8 1.6 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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