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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FERNANDINITE
1, s-corvusite
CaV(8)O(20).4H(2)O
Monoclinic C 2/m Z = 1
R =0.04 NR =141
3 .10 .1997
Ref.Str.:
Evans H.T., Post J.E., Ross D.R., Nelen J.A. (1994)
* Canad. Mineral., 32, 339-351
Reserv:
Rietveld method.
[Ca(0.87)K(0.04)Na(0.01)][V(7.79)Fe(0.18)]O(20).4H(2)O. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.68 alpha = 90.0
b = 3.6537 beta = 105.0
c = 11.023 gamma = 90.0
Unit cell volume (cub. angs.) = 454.38
Molar volume ( cub.cm/mol.) = 273.69
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.8018 0.0 0.137 0.01 V = 1.00
2 0.0982 0.0 0.1378 0.01 V = 1.00
3 0.946 0.0 0.096 0.01 O = 1.00
4 0.849 0.0 0.283 0.01 O = 1.00
5 0.629 0.0 0.12 0.01 O = 1.00
6 0.274 0.0 0.1 0.01 O = 1.00
7 0.11 0.0 0.286 0.01 O = 1.00
8 0.061 0.0 0.506 0.02 Ca = 0.46, Ca = 0.0
9 0.568 0.0 0.478 0.02 Ca = 0.26, Ca = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.8018 0.0 0.137
2 2 0.0982 0.0 0.1378
3 3 0.946 0.0 0.096
4 4 0.849 0.0 0.283
5 5 0.629 0.0 0.12
6 6 0.274 0.0 0.1
7 7 0.11 0.0 0.286
8 8 0.061 0.0 0.506
9 9 0.568 0.0 0.478
10 1 0.1982 0.0 0.863
11 2 0.9018 0.0 0.8622
12 3 0.054 0.0 0.904
13 4 0.151 0.0 0.717
14 5 0.371 0.0 0.88
15 6 0.726 0.0 0.9
16 7 0.89 0.0 0.714
17 8 0.939 0.0 0.494
18 9 0.432 0.0 0.522
19 1 0.3018 0.5 0.137
20 2 0.5982 0.5 0.1378
21 3 0.446 0.5 0.096
22 4 0.349 0.5 0.283
23 5 0.129 0.5 0.12
24 6 0.774 0.5 0.1
25 7 0.61 0.5 0.286
26 8 0.561 0.5 0.506
27 9 0.068 0.5 0.478
28 1 0.6982 0.5 0.863
29 2 0.4018 0.5 0.8622
30 3 0.554 0.5 0.904
31 4 0.651 0.5 0.717
32 5 0.871 0.5 0.88
33 6 0.226 0.5 0.9
34 7 0.39 0.5 0.714
35 8 0.439 0.5 0.494
36 9 0.932 0.5 0.522
X-ray density (g/cm cub.) = 3.08
MU (1/cm) = 428.658 Mass attenuation coefficient (cm**2/g) = 139.196
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 V 2.496 5
1.8534 3
1.5604 4
1.9781 5
1.8816 6
1.8816 6
2 V 2.496 6
1.7171 3
2.1983 6
1.6035 7
2.4939 3
1.882 5
1.882 5
3 O 3.264 10
2.5964 4
2.4452 7
2.7299 3
2.8977 6
2.7719 5
2.7719 5
2.7242 6
2.7242 6
2.9486 5
2.9486 5
4 O 3.264 5
2.5964 3
2.7279 5
3.0401 7
2.6943 6
2.6943 6
5 O 3.264 10
2.7279 4
2.9303 6
2.7719 3
2.7719 3
2.5392 6
2.5392 6
2.6353 7
2.6353 7
2.9486 3
2.9486 3
6 O 3.264 11
3.1473 7
2.8977 3
2.9303 5
2.7242 3
2.7242 3
2.6943 4
2.6943 4
2.5392 5
2.5392 5
2.8057 6
2.8057 6
7 O 3.264 5
2.4452 3
3.0401 4
3.1473 6
2.6353 5
2.6353 5
8 Ca ,Ca 2.88 2
2.6319 7
2.2911 4
9 Ca ,Ca 2.88 0
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 0 1 4.149 8.297 0.047 379.15 2 100.8 3732.8
2 2 0 0 7.848 15.697 0.089 104.31 2 7.2 5.2
3 2 0 -1 7.874 15.747 0.089 103.63 2 37.1 138.4
4 0 0 2 8.319 16.639 0.094 92.59 2 3.0 0.8
5 2 0 1 9.804 19.607 0.111 66.06 2 83.9 450.1
6 2 0 -2 9.865 19.73 0.111 65.22 2 64.9 266.2
7 0 0 3 12.535 25.07 0.141 39.59 2 158.2 959.5
8 1 1 0 12.803 25.606 0.144 37.86 4 126.3 1170.6
9 2 0 2 12.896 25.791 0.145 37.29 2 17.1 10.5
10 2 0 -3 12.975 25.949 0.146 36.82 2 7.1 1.8
11 1 1 -1 13.154 26.307 0.148 35.77 4 5.6 2.2
12 1 1 1 13.8 27.6 0.155 32.31 4 59.3 220.0
13 1 1 -2 14.762 29.525 0.165 27.99 4 46.0 114.8
14 4 0 -1 15.296 30.591 0.171 25.94 2 87.0 190.3
15 4 0 0 15.849 31.698 0.177 24.03 2 75.1 131.1
16 4 0 -2 15.901 31.802 0.178 23.86 2 126.0 366.7
17 1 1 2 15.911 31.822 0.178 23.82 4 1.1 0.1
18 2 0 3 16.545 33.089 0.185 21.89 2 13.1 3.6
19 2 0 -4 16.633 33.266 0.186 21.64 2 40.1 33.7
20 0 0 4 16.821 33.641 0.188 21.12 2 109.9 247.0
21 3 1 -1 16.844 33.688 0.188 21.06 4 35.7 51.9
22 3 1 0 17.094 34.188 0.191 20.39 4 56.6 126.8
23 1 1 -3 17.311 34.622 0.193 19.84 4 59.9 137.8
24 4 0 1 17.462 34.924 0.195 19.47 2 101.2 193.2
25 4 0 -3 17.558 35.116 0.196 19.24 2 39.0 28.3
26 3 1 -2 17.656 35.312 0.197 19.0 4 97.6 351.0
27 3 1 1 18.368 36.737 0.205 17.43 4 64.3 139.4
28 1 1 3 18.802 37.605 0.209 16.55 4 36.9 43.6
29 3 1 -3 19.415 38.829 0.216 15.42 4 0.2 0.0
30 4 0 2 19.91 39.821 0.221 14.58 2 32.3 14.7
31 4 0 -4 20.039 40.078 0.222 14.37 2 15.7 3.4
32 1 1 -4 20.498 40.996 0.227 13.67 4 19.0 9.6
33 3 1 2 20.503 41.005 0.227 13.66 4 8.3 1.8
34 2 0 4 20.517 41.034 0.228 13.64 2 74.9 74.1
35 2 0 -5 20.611 41.222 0.229 13.5 2 37.8 18.7
36 0 0 5 21.206 42.412 0.235 12.67 2 175.4 377.6
37 3 1 -4 21.928 43.856 0.242 11.75 4 10.6 2.5
38 1 1 4 22.225 44.451 0.246 11.4 4 46.9 48.5
39 4 0 3 22.976 45.952 0.253 10.57 2 14.4 2.1
40 5 1 -1 23.061 46.121 0.254 10.49 4 24.4 12.1
41 4 0 -5 23.129 46.258 0.255 10.42 2 37.9 14.5
42 5 1 -2 23.292 46.583 0.257 10.25 4 27.9 15.5
43 3 1 3 23.305 46.609 0.257 10.24 4 29.5 17.3
44 6 0 -1 23.398 46.797 0.258 10.15 2 106.9 112.2
45 6 0 -2 23.427 46.853 0.258 10.12 2 165.1 267.1
46 5 1 0 23.655 47.31 0.26 9.9 4 21.8 9.1
47 1 1 -5 24.133 48.266 0.265 9.46 4 45.1 37.3
48 6 0 0 24.183 48.366 0.266 9.42 2 66.0 39.8
49 6 0 -3 24.266 48.531 0.267 9.34 2 27.4 6.8
50 5 1 -3 24.33 48.66 0.267 9.29 4 19.5 6.8
51 2 0 5 24.733 49.467 0.272 8.95 2 21.9 4.2
52 2 0 -6 24.833 49.666 0.273 8.86 2 16.9 2.5
53 0 2 0 24.938 49.877 0.274 8.78 2 241.2 494.6
54 3 1 -5 25.021 50.042 0.275 8.71 4 70.8 84.6
55 5 1 1 25.029 50.059 0.275 8.71 4 20.9 7.4
56 0 2 1 25.328 50.657 0.278 8.47 4 72.1 85.3
57 6 0 1 25.724 51.448 0.282 8.18 2 90.8 65.3
58 0 0 6 25.726 51.452 0.282 8.18 2 39.8 12.6
59 6 0 -4 25.856 51.712 0.283 8.09 2 15.7 1.9
60 1 1 5 26.041 52.082 0.285 7.96 4 78.8 95.7
61 5 1 -4 26.103 52.206 0.286 7.91 4 2.0 0.1
62 2 2 0 26.308 52.617 0.288 7.77 4 7.4 0.8
63 2 2 -1 26.317 52.634 0.288 7.77 4 25.9 10.1
64 0 2 2 26.473 52.946 0.289 7.66 4 1.0 0.0
65 4 0 4 26.51 53.02 0.29 7.64 2 33.7 8.4
66 3 1 4 26.624 53.247 0.291 7.56 4 51.9 39.5
67 4 0 -6 26.682 53.364 0.291 7.53 2 113.5 93.9
68 2 2 1 27.047 54.095 0.295 7.3 4 61.9 54.1
69 2 2 -2 27.073 54.146 0.295 7.28 4 47.9 32.4
70 5 1 2 27.097 54.195 0.296 7.27 4 5.8 0.5
71 6 0 2 27.933 55.865 0.304 6.78 2 88.6 51.6
72 6 0 -5 28.107 56.214 0.306 6.69 2 124.1 99.7
73 1 1 -6 28.123 56.245 0.306 6.68 4 56.4 41.1
74 0 2 3 28.309 56.617 0.308 6.58 4 125.2 199.7
75 2 2 2 28.494 56.988 0.31 6.48 4 10.8 1.5
76 5 1 -5 28.515 57.031 0.31 6.47 4 0.2 0.0
77 2 2 -3 28.535 57.07 0.31 6.46 4 8.6 0.9
78 3 1 -6 28.576 57.152 0.31 6.44 4 73.6 67.5
79 2 0 6 29.182 58.364 0.316 6.14 2 40.6 9.8
80 2 0 -7 29.287 58.574 0.318 6.09 2 44.3 11.6
81 5 1 3 29.764 59.528 0.322 5.88 4 2.7 0.1
82 4 2 -1 29.826 59.652 0.323 5.85 4 65.7 48.9
83 4 2 0 30.156 60.313 0.326 5.71 4 53.7 31.9
84 4 2 -2 30.188 60.376 0.326 5.69 4 99.2 108.6
85 1 1 6 30.189 60.378 0.326 5.69 4 5.1 0.3
86 3 1 5 30.369 60.737 0.328 5.62 4 89.3 86.7
87 0 0 7 30.425 60.85 0.329 5.6 2 101.4 55.7
88 4 0 5 30.432 60.865 0.329 5.59 2 97.0 51.0
89 7 1 -2 30.526 61.053 0.33 5.55 4 93.3 93.7
90 2 2 3 30.584 61.167 0.33 5.53 4 9.4 1.0
91 4 0 -7 30.621 61.242 0.331 5.52 2 76.2 31.0
92 2 2 -4 30.639 61.277 0.331 5.51 4 32.3 11.2
93 7 1 -1 30.67 61.34 0.331 5.5 4 129.5 178.5
94 6 0 3 30.719 61.437 0.332 5.48 2 121.2 78.0
95 0 2 4 30.757 61.513 0.332 5.46 4 87.4 80.9
96 6 0 -6 30.93 61.86 0.334 5.39 2 77.1 31.1
97 7 1 -3 31.065 62.13 0.335 5.34 4 34.7 12.5
98 4 2 1 31.166 62.332 0.336 5.3 4 82.4 69.8
99 4 2 -3 31.228 62.457 0.337 5.28 4 40.0 16.3
100 5 1 -6 31.48 62.96 0.339 5.19 4 7.1 0.5
101 7 1 0 31.491 62.981 0.339 5.18 4 60.2 36.4
102 8 0 -2 31.843 63.687 0.342 5.06 2 43.7 9.4
103 8 0 -1 32.146 64.293 0.345 4.96 2 24.7 2.9
104 8 0 -3 32.208 64.415 0.346 4.94 2 73.7 26.0
105 7 1 -4 32.267 64.533 0.347 4.92 4 68.9 45.2
106 1 1 -7 32.435 64.87 0.348 4.86 4 53.1 26.5
107 3 1 -7 32.53 65.059 0.349 4.83 4 80.9 61.3
108 4 2 2 32.819 65.639 0.352 4.74 4 35.9 11.8
109 4 2 -4 32.91 65.82 0.353 4.71 4 10.8 1.1
110 5 1 4 32.951 65.903 0.353 4.7 4 20.4 3.8
111 7 1 1 32.96 65.919 0.353 4.7 4 42.7 16.6
112 8 0 0 33.107 66.213 0.355 4.65 2 43.0 8.4
113 8 0 -4 33.227 66.454 0.356 4.62 2 1.3 0.0
114 2 2 4 33.25 66.5 0.356 4.61 4 58.6 30.7
115 2 2 -5 33.317 66.635 0.357 4.59 4 28.9 7.4
116 0 2 5 33.748 67.496 0.361 4.47 4 128.9 143.8
117 2 0 7 33.888 67.777 0.362 4.43 2 45.5 8.9
118 2 0 -8 34.0 68.0 0.363 4.4 2 10.4 0.5
119 6 0 4 34.014 68.027 0.363 4.4 2 12.2 0.6
120 7 1 -5 34.094 68.187 0.364 4.37 4 80.5 54.9
121 6 0 -7 34.258 68.516 0.365 4.33 2 54.9 12.6
122 3 1 6 34.501 69.002 0.368 4.27 4 15.7 2.0
123 1 1 7 34.662 69.324 0.369 4.23 4 49.2 19.9
124 8 0 1 34.697 69.393 0.369 4.22 2 43.3 7.7
125 4 0 6 34.717 69.434 0.37 4.21 2 67.5 18.6
126 8 0 -5 34.873 69.746 0.371 4.18 2 31.1 3.9
127 4 0 -8 34.923 69.846 0.372 4.16 2 34.7 4.9
128 5 1 -7 34.936 69.873 0.372 4.16 4 23.4 4.4
129 7 1 2 35.036 70.073 0.373 4.14 4 62.4 31.2
130 4 2 3 35.071 70.142 0.373 4.13 4 13.2 1.4
131 4 2 -5 35.188 70.376 0.374 4.1 4 35.9 10.2
132 0 0 8 35.363 70.726 0.376 4.06 2 115.8 52.7
133 6 2 -1 35.395 70.791 0.376 4.05 4 82.1 52.9
134 6 2 -2 35.417 70.834 0.376 4.05 4 127.7 127.9
135 6 2 0 36.006 72.013 0.382 3.92 4 52.4 20.8
136 6 2 -3 36.071 72.143 0.382 3.9 4 19.0 2.7
137 2 2 5 36.442 72.883 0.386 3.83 4 16.4 2.0
138 7 1 -6 36.504 73.009 0.386 3.82 4 50.2 18.6
139 2 2 -6 36.521 73.042 0.386 3.81 4 13.5 1.3
140 5 1 5 36.616 73.231 0.387 3.79 4 32.0 7.5
141 3 1 -8 36.87 73.739 0.389 3.74 4 64.4 30.1
142 8 0 2 36.881 73.761 0.39 3.74 2 34.1 4.2
143 1 1 -8 37.085 74.17 0.391 3.7 4 34.1 8.3
144 8 0 -6 37.11 74.219 0.392 3.7 2 2.4 0.0
145 6 2 1 37.238 74.475 0.393 3.68 4 72.5 37.4
146 0 2 6 37.239 74.478 0.393 3.68 4 37.5 10.0
147 6 2 -4 37.345 74.689 0.394 3.66 4 14.6 1.5
148 7 1 3 37.682 75.363 0.397 3.6 4 100.8 70.8
149 6 0 5 37.783 75.565 0.398 3.58 2 33.0 3.8
150 4 2 4 37.88 75.761 0.399 3.56 4 30.6 6.5
151 4 2 -6 38.022 76.045 0.4 3.54 4 92.5 58.6
152 6 0 -8 38.059 76.119 0.4 3.53 2 53.8 9.9
153 5 1 -8 38.861 77.722 0.407 3.41 4 30.1 6.0
154 2 0 8 38.91 77.82 0.408 3.4 2 20.6 1.4
155 3 1 7 39.029 78.059 0.409 3.39 4 68.8 31.0
156 2 0 -9 39.03 78.06 0.409 3.39 2 10.7 0.4
157 9 1 -2 39.052 78.105 0.409 3.38 4 21.4 3.0
158 6 2 2 39.068 78.137 0.409 3.38 4 71.1 33.1
159 6 2 -5 39.216 78.432 0.41 3.36 4 101.4 67.0
160 9 1 -3 39.237 78.474 0.411 3.36 4 0.8 0.0
161 4 0 7 39.385 78.77 0.412 3.34 2 43.8 6.2
162 7 1 -7 39.467 78.934 0.413 3.32 4 11.5 0.8
163 9 1 -1 39.48 78.96 0.413 3.32 4 9.0 0.5
164 1 1 8 39.496 78.991 0.413 3.32 4 53.5 18.4
165 1 3 0 39.505 79.009 0.413 3.32 4 76.0 37.2
166 4 0 -9 39.609 79.219 0.414 3.31 2 92.1 27.1
167 8 0 3 39.629 79.257 0.414 3.3 2 41.0 5.4
168 1 3 -1 39.661 79.322 0.414 3.3 4 7.5 0.4
169 8 0 -7 39.909 79.817 0.416 3.27 2 10.9 0.4
170 1 3 1 39.959 79.917 0.417 3.26 4 40.6 10.4
171 9 1 -4 40.032 80.063 0.418 3.25 4 40.4 10.3
172 2 2 6 40.137 80.273 0.418 3.24 4 32.7 6.7
173 2 2 -7 40.227 80.455 0.419 3.23 4 36.9 8.5
174 1 3 -2 40.425 80.851 0.421 3.2 4 26.8 4.5
175 9 1 0 40.514 81.028 0.422 3.19 4 8.7 0.5
176 0 0 9 40.625 81.249 0.423 3.18 2 6.8 0.1
177 5 1 6 40.75 81.501 0.424 3.17 4 15.5 1.5
178 7 1 4 40.871 81.742 0.425 3.15 4 52.7 16.9
179 1 3 2 41.018 82.036 0.426 3.14 4 3.6 0.1
180 0 2 7 41.221 82.442 0.428 3.11 4 82.9 41.4
181 4 2 5 41.227 82.455 0.428 3.11 4 80.3 38.9
182 10 0 -2 41.32 82.64 0.429 3.1 2 32.1 3.1
183 10 0 -3 41.355 82.709 0.429 3.1 2 61.0 11.2
184 4 2 -7 41.394 82.788 0.429 3.1 4 61.0 22.3
185 9 1 -5 41.428 82.855 0.43 3.09 4 11.2 0.8
186 6 2 3 41.48 82.96 0.43 3.09 4 98.6 58.2
187 3 3 -1 41.527 83.054 0.43 3.08 4 21.4 2.7
188 3 1 -9 41.629 83.258 0.431 3.07 4 78.3 36.5
189 3 3 0 41.667 83.335 0.432 3.07 4 40.9 10.0
190 6 2 -6 41.667 83.335 0.432 3.07 4 61.2 22.3
191 1 3 -3 41.791 83.582 0.433 3.06 4 46.9 13.0
192 10 0 -1 41.889 83.779 0.433 3.05 2 71.5 15.1
193 3 3 -2 41.99 83.98 0.434 3.04 4 71.2 29.8
194 10 0 -4 41.993 83.986 0.434 3.04 2 84.5 21.0
195 6 0 6 42.031 84.062 0.435 3.04 2 98.6 28.6
196 1 1 -9 42.132 84.264 0.435 3.03 4 53.7 16.9
197 9 1 1 42.146 84.292 0.436 3.03 4 16.4 1.6
198 6 0 -9 42.342 84.684 0.437 3.01 2 50.4 7.4
199 3 3 1 42.411 84.821 0.438 3.0 4 55.8 18.1
200 8 2 -2 42.484 84.968 0.438 3.0 4 37.4 8.1
201 1 3 3 42.674 85.348 0.44 2.98 4 29.0 4.9
202 8 2 -1 42.757 85.515 0.441 2.97 4 19.5 2.2
203 8 2 -3 42.813 85.625 0.441 2.97 4 60.0 20.7
204 8 0 4 42.929 85.859 0.442 2.96 2 3.9 0.0
205 7 1 -8 42.972 85.944 0.442 2.96 4 97.7 54.7
206 3 3 -3 43.054 86.108 0.443 2.95 4 18.4 1.9
207 10 0 0 43.059 86.118 0.443 2.95 2 52.0 7.7
208 10 0 -5 43.231 86.463 0.445 2.94 2 8.3 0.2
209 8 0 -8 43.261 86.521 0.445 2.93 2 68.2 13.2
210 5 1 -9 43.272 86.544 0.445 2.93 4 11.2 0.7
211 9 1 -6 43.416 86.833 0.446 2.92 4 25.5 3.7
212 8 2 0 43.631 87.262 0.448 2.91 4 38.2 8.2
213 8 2 -4 43.741 87.483 0.449 2.9 4 0.3 0.0
214 1 3 -4 43.75 87.5 0.449 2.9 4 18.2 1.9
215 3 3 2 43.753 87.506 0.449 2.9 4 10.5 0.6
216 3 1 8 44.01 88.019 0.451 2.88 4 97.5 53.1
217 2 0 9 44.347 88.693 0.454 2.86 2 45.5 5.7
218 2 2 7 44.351 88.702 0.454 2.86 4 38.5 8.2
219 9 1 2 44.369 88.737 0.454 2.86 4 32.9 6.0
220 2 2 -8 44.454 88.909 0.455 2.86 4 8.6 0.4
221 6 2 4 44.467 88.934 0.455 2.86 4 7.9 0.3
222 2 0 -10 44.478 88.955 0.455 2.86 2 41.4 4.7
223 4 0 8 44.505 89.01 0.455 2.85 2 71.6 14.2
224 7 1 5 44.61 89.219 0.456 2.85 4 26.0 3.7
225 6 2 -7 44.694 89.389 0.457 2.84 4 44.0 10.7
226 3 3 -4 44.715 89.43 0.457 2.84 4 3.0 0.0
227 4 0 -10 44.753 89.505 0.457 2.84 2 51.2 7.2
228 1 1 9 44.774 89.547 0.457 2.84 4 6.1 0.2
229 10 0 1 44.825 89.65 0.458 2.84 2 52.4 7.5
230 1 3 4 44.922 89.844 0.458 2.83 4 35.8 7.1
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 0 1 4.149 8.297 10.6474 3732.8 100.0 100.0 5.6
2 2 0 -1 7.874 15.747 5.62292 143.6 3.8 3.8 5.6
3 2 0 1 9.804 19.607 4.52377 450.1 12.1 12.0 5.6
4 2 0 -2 9.865 19.73 4.49591 266.2 7.1 7.1 5.6
5 0 0 3 12.535 25.07 3.54913 959.5 25.7 25.4 5.6
6 1 1 0 12.803 25.606 3.47596 1170.6 31.4 31.0 5.6
7 1 1 1 13.8 27.6 3.22924 220.0 5.9 5.8 5.6
8 1 1 -2 14.762 29.525 3.02295 114.8 3.1 3.0 5.6
9 4 0 -1 15.296 30.591 2.91994 190.3 5.1 5.0 5.6
10 4 0 0 15.849 31.698 2.8205 131.1 3.5 3.5 5.6
11 4 0 -2 15.901 31.802 2.81146 366.7 9.8 9.7 5.6
12 0 0 4 16.821 33.641 2.66185 298.9 8.0 7.9 5.7
13 3 1 0 17.094 34.188 2.62056 126.8 3.4 3.3 5.7
14 1 1 -3 17.311 34.622 2.58868 137.8 3.7 3.6 5.7
15 4 0 1 17.462 34.924 2.56696 193.2 5.2 5.1 5.7
16 3 1 -2 17.656 35.312 2.53963 351.0 9.4 9.2 5.7
17 3 1 1 18.368 36.737 2.44437 139.4 3.7 3.7 5.7
18 1 1 3 18.802 37.605 2.3899 43.6 1.2 1.1 5.7
19 2 0 4 20.517 41.034 2.19776 85.5 2.3 2.2 5.7
20 0 0 5 21.206 42.412 2.12948 377.6 10.1 9.9 5.7
21 1 1 4 22.225 44.451 2.03642 48.5 1.3 1.3 5.7
22 6 0 -2 23.427 46.853 1.93744 379.4 10.2 9.9 5.7
23 6 0 0 24.183 48.366 1.88034 39.8 1.1 1.0 5.7
24 0 2 0 24.938 49.877 1.82685 494.6 13.3 12.8 5.7
25 3 1 -5 25.021 50.042 1.82119 92.0 2.5 2.4 5.7
26 0 2 1 25.328 50.657 1.80054 85.3 2.3 2.2 5.8
27 6 0 1 25.724 51.448 1.77469 77.8 2.1 2.0 5.8
28 1 1 5 26.041 52.082 1.75456 95.7 2.6 2.5 5.8
29 3 1 4 26.624 53.247 1.71888 39.5 1.1 1.0 5.8
30 4 0 -6 26.682 53.364 1.7154 93.9 2.5 2.4 5.8
31 2 2 1 27.047 54.095 1.69394 86.5 2.3 2.2 5.8
32 6 0 2 27.933 55.865 1.64438 51.6 1.4 1.3 5.8
33 6 0 -5 28.107 56.214 1.635 140.8 3.8 3.6 5.8
34 0 2 3 28.309 56.617 1.6243 199.7 5.4 5.1 5.8
35 3 1 -6 28.576 57.152 1.61038 67.5 1.8 1.7 5.8
36 4 2 -1 29.826 59.652 1.54872 48.9 1.3 1.2 5.8
37 4 2 -2 30.188 60.376 1.53186 108.9 2.9 2.8 5.8
38 3 1 5 30.369 60.737 1.52361 86.7 2.3 2.2 5.8
39 0 0 7 30.425 60.85 1.52106 106.7 2.9 2.7 5.8
40 7 1 -2 30.526 61.053 1.51649 93.7 2.5 2.4 5.8
41 4 0 -7 30.621 61.242 1.51226 42.2 1.1 1.1 5.8
42 7 1 -1 30.67 61.34 1.51008 178.5 4.8 4.5 5.8
43 6 0 3 30.719 61.437 1.50792 78.0 2.1 2.0 5.8
44 0 2 4 30.757 61.513 1.50624 80.9 2.2 2.1 5.8
45 4 2 1 31.166 62.332 1.4884 69.8 1.9 1.8 5.8
46 7 1 -4 32.267 64.533 1.44285 45.2 1.2 1.1 5.9
47 3 1 -7 32.53 65.059 1.43245 61.3 1.6 1.6 5.9
48 0 2 5 33.748 67.496 1.38654 143.8 3.9 3.6 5.9
49 7 1 -5 34.094 68.187 1.37416 54.9 1.5 1.4 5.9
50 0 0 8 35.363 70.726 1.33092 52.7 1.4 1.3 5.9
51 6 2 -2 35.417 70.834 1.32916 180.9 4.8 4.5 5.9
52 6 2 1 37.238 74.475 1.27294 47.4 1.3 1.2 6.0
53 7 1 3 37.682 75.363 1.26013 70.8 1.9 1.8 6.0
54 4 2 -6 38.022 76.045 1.25052 58.6 1.6 1.5 6.0
55 6 2 -5 39.216 78.432 1.21832 67.0 1.8 1.7 6.0
56 1 3 0 39.505 79.009 1.21087 55.6 1.5 1.4 6.0
57 0 2 7 41.221 82.442 1.16892 80.4 2.2 2.0 6.1
58 6 2 3 41.48 82.96 1.16293 58.2 1.6 1.4 6.1
59 3 3 -2 41.99 83.98 1.15139 50.9 1.4 1.2 6.1
60 7 1 -8 42.972 85.944 1.13004 54.7 1.5 1.3 6.1
61 3 1 8 44.01 88.019 1.10867 53.1 1.4 1.3 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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