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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ARUPITE
1, f-vivianite, g-vivianite
Ni(3)[PO(4)](2).8H(2)O
Monoclinic C 2/m Z = 2
C2/m
28 .11 .1994
Ref.Str.:
Fejdi P., Poullen J.-F., Gasperin M. (1980)
* Bull. Mineral., 103, 135-138
Ref.Composition & Lattice:
Buchwald V.F. (1990)
* Neues. Jb. Miner., Mh., H.2, 76
Reserv:
The coordinates of atoms are the vivianite ones. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.889 alpha = 90.0
b = 13.225 beta = 102.41
c = 4.645 gamma = 90.0
Unit cell volume (cub. angs.) = 593.29
Molar volume ( cub.cm/mol.) = 178.68
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Ni = 1.00
2 0.0 0.3898 0.0 0.0 Ni = 1.00
3 0.3139 0.0 0.3751 0.0 P = 1.00
4 0.1579 0.0 0.3632 0.0 O = 1.00
5 0.3906 0.0 0.6981 0.0 O = 1.00
6 0.3449 0.0954 0.2224 0.0 O = 1.00
7 0.1019 0.1172 0.7994 0.0 O = 1.00
8 0.3962 0.2246 0.7114 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.0 0.3898 0.0
3 3 0.3139 0.0 0.3751
4 4 0.1579 0.0 0.3632
5 5 0.3906 0.0 0.6981
6 6 0.3449 0.0954 0.2224
7 7 0.1019 0.1172 0.7994
8 8 0.3962 0.2246 0.7114
9 2 0.0 0.6102 0.0
10 3 0.6861 0.0 0.6249
11 4 0.8421 0.0 0.6368
12 5 0.6094 0.0 0.3019
13 6 0.6551 0.9046 0.7776
14 7 0.8981 0.8828 0.2006
15 8 0.6038 0.7754 0.2886
16 6 0.3449 0.9046 0.2224
17 7 0.1019 0.8828 0.7994
18 8 0.3962 0.7754 0.7114
19 6 0.6551 0.0954 0.7776
20 7 0.8981 0.1172 0.2006
21 8 0.6038 0.2246 0.2886
22 1 0.5 0.5 0.0
23 2 0.5 0.1102 0.0
24 3 0.8139 0.5 0.3751
25 4 0.6579 0.5 0.3632
26 5 0.8906 0.5 0.6981
27 6 0.8449 0.4046 0.2224
28 7 0.6019 0.3828 0.7994
29 8 0.8962 0.2754 0.7114
30 2 0.5 0.8898 0.0
31 3 0.1861 0.5 0.6249
32 4 0.3421 0.5 0.6368
33 5 0.1094 0.5 0.3019
34 6 0.1551 0.5954 0.7776
35 7 0.3981 0.6172 0.2006
36 8 0.1038 0.7246 0.2886
37 6 0.8449 0.5954 0.2224
38 7 0.6019 0.6172 0.7994
39 8 0.8962 0.7246 0.7114
40 6 0.1551 0.4046 0.7776
41 7 0.3981 0.3828 0.2006
42 8 0.1038 0.2754 0.2886
X-ray density (g/cm cub.) = 2.76
MU (1/cm) = 134.49 Mass attenuation coefficient (cm**2/g) = 48.648
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ni 2.52 6
2.0377 4
2.1656 7
2.0377 4
2.1656 7
2.1656 7
2.1656 7
2 Ni 2.52 6
2.1468 5
2.0345 6
2.1327 8
2.1468 5
2.0345 6
2.1327 8
3 P 2.232 4
1.5318 4
1.5288 5
1.5107 6
1.5107 6
4 O 3.264 9
2.4853 5
2.4411 6
2.7012 7
2.9907 7
2.9563 7
2.4411 6
2.7012 7
2.9907 7
2.9563 7
5 O 3.264 11
2.4853 4
2.8636 6
2.4999 6
2.9712 8
3.1527 5
3.1273 5
2.8556 6
2.8636 6
2.4999 6
2.9712 8
2.8556 6
6 O 3.264 9
2.4411 4
2.4999 5
2.8636 5
2.7729 7
2.8002 8
3.0542 8
2.8556 5
2.5233 6
3.0382 8
7 O 3.264 10
2.9907 4
2.7012 4
2.7729 6
2.9563 4
3.0999 7
3.0247 7
3.0641 7
2.8853 8
3.0859 8
3.1664 8
8 O 3.264 10
2.9712 5
3.0542 6
2.8002 6
3.0382 6
3.0062 8
3.1312 8
2.8853 7
3.0859 7
3.1664 7
3.1982 8
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 6.585 13.17 0.064 149.11 4 57.9 568.1
2 0 2 0 7.774 15.548 0.076 106.36 2 159.3 1533.3
3 2 0 0 10.674 21.349 0.104 55.39 2 122.4 471.1
4 0 0 1 11.372 22.743 0.11 48.55 2 102.2 288.4
5 1 1 -1 12.133 24.267 0.117 42.39 4 33.6 54.5
6 1 3 0 12.888 25.775 0.125 37.34 4 73.4 228.6
7 2 2 0 13.259 26.519 0.128 35.17 4 8.7 3.0
8 0 2 1 13.834 27.668 0.134 32.14 4 24.1 21.2
9 2 0 -1 13.873 27.746 0.134 31.95 2 145.5 384.3
10 1 1 1 14.164 28.328 0.137 30.57 4 49.6 85.4
11 0 4 0 15.696 31.392 0.151 24.53 2 9.5 1.3
12 2 2 -1 15.979 31.959 0.154 23.61 4 46.3 57.5
13 1 3 -1 16.512 33.023 0.159 21.99 4 144.2 519.8
14 3 1 0 16.616 33.232 0.16 21.69 4 34.8 29.9
15 2 0 1 17.345 34.691 0.167 19.76 2 191.7 412.4
16 1 3 1 18.095 36.191 0.174 18.01 4 40.1 32.9
17 3 1 -1 18.156 36.313 0.174 17.88 4 98.5 197.1
18 2 2 1 19.11 38.22 0.183 15.97 4 135.8 334.5
19 2 4 0 19.14 38.279 0.183 15.91 4 64.4 75.0
20 0 4 1 19.558 39.116 0.187 15.17 4 120.8 251.6
21 3 3 0 20.123 40.247 0.192 14.24 4 107.0 185.3
22 1 5 0 20.525 41.051 0.196 13.63 4 75.8 89.0
23 2 4 -1 21.192 42.384 0.202 12.69 4 101.7 149.0
24 3 3 -1 21.447 42.894 0.204 12.35 4 87.3 106.9
25 4 0 0 21.744 43.487 0.207 11.97 2 12.1 1.0
26 3 1 1 22.317 44.634 0.212 11.29 4 15.6 3.1
27 4 0 -1 22.36 44.719 0.213 11.24 2 191.8 234.9
28 1 1 -2 23.023 46.046 0.219 10.53 4 54.2 35.2
29 1 5 -1 23.103 46.206 0.219 10.44 4 129.1 197.7
30 0 0 2 23.225 46.45 0.22 10.32 2 2.8 0.0
31 4 2 0 23.227 46.455 0.22 10.32 4 43.4 22.1
32 2 0 -2 23.454 46.909 0.222 10.09 2 62.4 22.3
33 2 4 1 23.74 47.479 0.225 9.82 4 127.5 181.5
34 4 2 -1 23.813 47.626 0.226 9.75 4 75.6 63.3
35 0 6 0 23.942 47.883 0.227 9.63 2 4.9 0.1
36 1 5 1 24.324 48.648 0.23 9.29 4 136.0 195.4
37 0 2 2 24.639 49.278 0.233 9.02 4 55.4 31.5
38 2 2 -2 24.858 49.717 0.235 8.84 4 76.2 58.3
39 3 3 1 25.163 50.326 0.238 8.6 4 57.2 32.0
40 1 1 2 25.427 50.855 0.24 8.4 4 33.8 10.9
41 1 3 -2 25.809 51.619 0.243 8.12 4 46.6 20.1
42 3 1 -2 25.855 51.711 0.244 8.09 4 40.4 15.0
43 3 5 0 25.955 51.911 0.245 8.02 4 128.7 150.8
44 2 6 0 26.492 52.985 0.249 7.65 4 28.6 7.1
45 0 6 1 26.819 53.637 0.252 7.44 4 51.3 22.3
46 3 5 -1 27.055 54.11 0.254 7.29 4 70.7 41.4
47 4 0 1 27.099 54.198 0.255 7.27 2 82.8 28.3
48 4 4 0 27.305 54.61 0.256 7.14 4 41.3 13.8
49 4 4 -1 27.827 55.654 0.261 6.84 4 36.4 10.3
50 5 1 -1 27.878 55.756 0.261 6.81 4 64.4 32.1
51 5 1 0 27.903 55.807 0.262 6.8 4 58.9 26.8
52 1 3 2 28.038 56.075 0.263 6.72 4 127.8 124.7
53 2 0 2 28.056 56.111 0.263 6.72 2 163.8 102.4
54 2 6 -1 28.122 56.243 0.263 6.68 4 53.3 21.5
55 4 2 1 28.372 56.744 0.266 6.55 4 47.0 16.4
56 3 3 -2 28.438 56.877 0.266 6.51 4 104.9 81.5
57 0 4 2 28.569 57.139 0.267 6.44 4 22.9 3.9
58 4 0 -2 28.655 57.31 0.268 6.4 2 172.1 107.7
59 2 4 -2 28.768 57.535 0.269 6.34 4 29.6 6.3
60 1 7 0 28.843 57.686 0.27 6.31 4 58.9 24.9
61 2 2 2 29.301 58.602 0.274 6.09 4 55.3 21.1
62 4 2 -2 29.884 59.768 0.279 5.82 4 36.5 8.8
63 2 6 1 30.235 60.47 0.281 5.67 4 8.3 0.4
64 3 5 1 30.262 60.525 0.282 5.66 4 116.6 87.4
65 5 3 -1 30.345 60.69 0.282 5.63 4 87.0 48.4
66 5 3 0 30.369 60.739 0.283 5.62 4 70.8 32.0
67 1 5 -2 30.836 61.672 0.287 5.43 4 106.3 69.7
68 1 7 -1 30.902 61.803 0.287 5.41 4 54.6 18.3
69 1 7 1 31.913 63.825 0.296 5.04 4 15.5 1.4
70 4 4 1 31.993 63.985 0.296 5.01 4 37.4 7.9
71 3 1 2 32.226 64.452 0.298 4.93 4 53.3 15.9
72 0 8 0 32.757 65.513 0.302 4.76 2 200.9 109.1
73 1 5 2 32.843 65.687 0.303 4.73 4 165.4 147.1
74 2 4 2 32.86 65.72 0.303 4.73 4 54.5 15.9
75 5 1 -2 32.962 65.924 0.304 4.7 4 4.7 0.1
76 5 1 1 33.031 66.062 0.305 4.68 4 26.7 3.8
77 3 5 -2 33.209 66.418 0.306 4.62 4 158.2 131.5
78 6 0 -1 33.246 66.493 0.306 4.61 2 67.7 12.0
79 3 7 0 33.295 66.589 0.307 4.6 4 19.7 2.0
80 4 6 0 33.33 66.661 0.307 4.59 4 15.5 1.3
81 4 4 -2 33.407 66.814 0.308 4.56 4 64.0 21.2
82 6 0 0 33.758 67.516 0.311 4.46 2 123.3 38.6
83 4 6 -1 33.796 67.591 0.311 4.45 4 9.9 0.5
84 3 7 -1 34.245 68.49 0.315 4.33 4 1.0 0.0
85 6 2 -1 34.38 68.76 0.316 4.3 4 15.9 1.2
86 0 6 2 34.461 68.922 0.316 4.28 4 32.6 5.2
87 3 3 2 34.509 69.018 0.317 4.27 4 52.8 13.5
88 2 6 -2 34.64 69.28 0.318 4.23 4 15.6 1.2
89 2 8 0 34.883 69.766 0.32 4.17 4 72.4 24.8
90 6 2 0 34.884 69.767 0.32 4.17 4 109.0 56.4
91 5 5 -1 34.966 69.931 0.32 4.15 4 135.9 87.2
92 5 5 0 34.988 69.976 0.321 4.15 4 145.5 99.7
93 0 8 1 35.161 70.322 0.322 4.11 4 57.4 15.4
94 5 3 -2 35.221 70.442 0.322 4.09 4 83.6 32.5
95 5 3 1 35.288 70.576 0.323 4.08 4 106.9 53.0
96 2 0 -3 35.493 70.987 0.325 4.03 2 94.4 20.4
97 1 1 -3 35.638 71.276 0.326 4.0 4 15.1 1.0
98 0 0 3 36.264 72.529 0.331 3.86 2 135.5 40.3
99 2 8 -1 36.286 72.572 0.331 3.86 4 96.4 40.8
100 2 2 -3 36.595 73.19 0.333 3.8 4 38.8 6.5
101 4 0 2 36.603 73.206 0.333 3.8 2 215.5 100.2
102 3 1 -3 36.931 73.861 0.336 3.73 4 2.6 0.0
103 3 7 1 37.094 74.188 0.337 3.7 4 19.1 1.5
104 0 2 3 37.357 74.714 0.339 3.65 4 69.2 19.9
105 6 0 -2 37.471 74.942 0.34 3.63 2 178.3 65.7
106 4 6 1 37.595 75.189 0.341 3.61 4 12.4 0.6
107 1 7 -2 37.615 75.23 0.341 3.61 4 52.4 11.3
108 6 4 -1 37.688 75.375 0.342 3.6 4 117.8 56.7
109 4 2 2 37.692 75.384 0.342 3.6 4 65.1 17.3
110 1 3 -3 37.826 75.651 0.343 3.57 4 98.0 39.0
111 1 9 0 38.004 76.007 0.344 3.54 4 61.3 15.1
112 2 8 1 38.154 76.307 0.345 3.52 4 117.3 55.0
113 6 4 0 38.173 76.346 0.345 3.52 4 14.1 0.8
114 2 6 2 38.404 76.807 0.347 3.48 4 28.4 3.2
115 1 1 3 38.445 76.89 0.348 3.47 4 64.3 16.3
116 6 2 -2 38.552 77.103 0.348 3.46 4 54.3 11.6
117 4 0 -3 38.818 77.636 0.35 3.42 2 92.0 16.4
118 3 5 2 38.889 77.778 0.351 3.41 4 71.4 19.7
119 4 6 -2 38.917 77.834 0.351 3.4 4 49.8 9.6
120 6 0 1 38.924 77.849 0.351 3.4 2 101.7 20.0
121 3 3 -3 39.092 78.184 0.352 3.38 4 60.3 13.9
122 1 7 2 39.461 78.922 0.355 3.33 4 50.2 9.5
123 5 5 -2 39.571 79.142 0.356 3.31 4 78.0 22.9
124 5 5 1 39.635 79.27 0.357 3.3 4 103.6 40.3
125 7 1 -1 39.745 79.49 0.357 3.29 4 37.8 5.3
126 3 7 -2 39.801 79.601 0.358 3.28 4 43.8 7.2
127 1 9 -1 39.823 79.645 0.358 3.28 4 11.9 0.5
128 2 4 -3 39.832 79.665 0.358 3.28 4 105.0 41.0
129 4 2 -3 39.887 79.774 0.358 3.27 4 66.3 16.3
130 6 2 1 39.993 79.985 0.359 3.26 4 25.7 2.4
131 0 4 3 40.575 81.15 0.364 3.19 4 61.1 13.5
132 1 3 3 40.581 81.162 0.364 3.18 4 45.3 7.4
133 7 1 0 40.679 81.357 0.364 3.17 4 21.3 1.6
134 1 9 1 40.734 81.469 0.365 3.17 4 21.1 1.6
135 4 4 2 40.902 81.804 0.366 3.15 4 6.2 0.1
136 4 8 0 40.976 81.952 0.367 3.14 4 30.8 3.4
137 2 0 3 41.051 82.101 0.367 3.13 2 84.3 12.7
138 4 8 -1 41.408 82.817 0.37 3.1 4 99.1 34.5
139 5 7 -1 41.451 82.901 0.37 3.09 4 35.7 4.5
140 5 7 0 41.472 82.944 0.37 3.09 4 21.1 1.6
141 6 4 -2 41.744 83.488 0.372 3.06 4 15.5 0.8
142 7 3 -1 41.865 83.73 0.373 3.05 4 63.7 14.1
143 3 9 0 41.999 83.998 0.374 3.04 4 7.1 0.2
144 0 8 2 42.03 84.061 0.374 3.04 4 40.4 5.6
145 1 5 -3 42.089 84.178 0.375 3.03 4 130.6 58.7
146 2 2 3 42.107 84.213 0.375 3.03 4 13.9 0.7
147 5 1 -3 42.197 84.395 0.375 3.02 4 5.7 0.1
148 2 8 -2 42.198 84.397 0.375 3.02 4 58.4 11.7
149 5 1 2 42.303 84.606 0.376 3.01 4 29.3 2.9
150 0 10 0 42.558 85.117 0.378 2.99 2 178.4 54.0
151 7 3 0 42.79 85.579 0.38 2.97 4 89.3 26.9
152 3 9 -1 42.881 85.762 0.38 2.96 4 106.0 37.9
153 6 6 -1 43.007 86.014 0.381 2.95 4 59.9 12.1
154 4 4 -3 43.058 86.116 0.382 2.95 4 71.3 17.0
155 6 4 1 43.162 86.324 0.382 2.94 4 21.2 1.5
156 7 1 -2 43.308 86.616 0.383 2.93 4 30.1 3.0
157 3 5 -3 43.326 86.653 0.384 2.93 4 123.0 50.4
158 6 6 0 43.479 86.957 0.385 2.92 4 21.4 1.5
159 5 3 -3 44.299 88.597 0.39 2.87 4 14.7 0.7
160 5 3 2 44.404 88.808 0.391 2.86 4 25.2 2.1
161 2 10 0 44.527 89.054 0.392 2.85 4 53.3 9.2
162 0 10 1 44.789 89.577 0.394 2.84 4 56.0 10.1
163 1 5 3 44.792 89.584 0.394 2.84 4 30.7 3.0
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 1 1 0 6.585 13.17 7.79956 568.1 37.1 37.1 5.6
2 0 2 0 7.774 15.548 6.6125 1533.3 100.0 100.0 5.6
3 2 0 0 10.674 21.349 4.82897 471.1 30.7 30.6 5.6
4 0 0 1 11.372 22.743 4.53647 288.4 18.8 18.7 5.6
5 1 1 -1 12.133 24.267 4.2555 54.5 3.6 3.5 5.6
6 1 3 0 12.888 25.775 4.01032 228.6 14.9 14.8 5.6
7 0 2 1 13.834 27.668 3.74078 21.2 1.4 1.4 5.6
8 2 0 -1 13.873 27.746 3.73053 384.3 25.1 24.8 5.6
9 1 1 1 14.164 28.328 3.65537 85.4 5.6 5.5 5.6
10 2 2 -1 15.979 31.959 3.24913 57.5 3.8 3.7 5.6
11 1 3 -1 16.512 33.023 3.1472 519.8 33.9 33.5 5.6
12 3 1 0 16.616 33.232 3.12797 29.9 1.9 1.9 5.6
13 2 0 1 17.345 34.691 3.00021 412.4 26.9 26.5 5.7
14 1 3 1 18.095 36.191 2.87979 32.9 2.1 2.1 5.7
15 3 1 -1 18.156 36.313 2.87045 197.1 12.9 12.6 5.7
16 2 2 1 19.11 38.22 2.73214 334.5 21.8 21.4 5.7
17 2 4 0 19.14 38.279 2.72809 75.0 4.9 4.8 5.7
18 0 4 1 19.558 39.116 2.67192 251.6 16.4 16.1 5.7
19 3 3 0 20.123 40.247 2.59985 185.3 12.1 11.8 5.7
20 1 5 0 20.525 41.051 2.55106 89.0 5.8 5.7 5.7
21 2 4 -1 21.192 42.384 2.47434 149.0 9.7 9.5 5.7
22 3 3 -1 21.447 42.894 2.44626 106.9 7.0 6.8 5.7
23 4 0 -1 22.36 44.719 2.35125 234.9 15.3 15.0 5.7
24 1 1 -2 23.023 46.046 2.28703 35.2 2.3 2.2 5.7
25 1 5 -1 23.103 46.206 2.27956 197.7 12.9 12.6 5.7
26 4 2 0 23.227 46.455 2.26802 22.1 1.4 1.4 5.7
27 2 0 -2 23.454 46.909 2.24727 22.3 1.5 1.4 5.7
28 2 4 1 23.74 47.479 2.2218 181.5 11.8 11.5 5.7
29 4 2 -1 23.813 47.626 2.21536 63.3 4.1 4.0 5.7
30 1 5 1 24.324 48.648 2.17155 195.4 12.7 12.4 5.7
31 0 2 2 24.639 49.278 2.14552 31.5 2.1 2.0 5.7
32 2 2 -2 24.858 49.717 2.12775 58.3 3.8 3.7 5.7
33 3 3 1 25.163 50.326 2.10366 32.0 2.1 2.0 5.8
34 1 3 -2 25.809 51.619 2.05444 20.1 1.3 1.3 5.8
35 3 5 0 25.955 51.911 2.04369 150.8 9.8 9.5 5.8
36 0 6 1 26.819 53.637 1.98254 22.3 1.5 1.4 5.8
37 3 5 -1 27.055 54.11 1.96651 41.4 2.7 2.6 5.8
38 4 0 1 27.099 54.198 1.96355 28.3 1.8 1.8 5.8
39 5 1 -1 27.878 55.756 1.91291 58.9 3.8 3.7 5.8
40 1 3 2 28.038 56.075 1.90289 227.1 14.8 14.3 5.8
41 2 6 -1 28.122 56.243 1.89768 21.5 1.4 1.4 5.8
42 4 2 1 28.372 56.744 1.88232 16.4 1.1 1.0 5.8
43 3 3 -2 28.438 56.877 1.87828 81.5 5.3 5.1 5.8
44 4 0 -2 28.655 57.31 1.86527 107.7 7.0 6.8 5.8
45 1 7 0 28.843 57.686 1.85414 24.9 1.6 1.6 5.8
46 2 2 2 29.301 58.602 1.82769 21.1 1.4 1.3 5.8
47 3 5 1 30.262 60.525 1.77486 87.4 5.7 5.5 5.8
48 5 3 -1 30.345 60.69 1.77048 80.4 5.2 5.0 5.8
49 1 5 -2 30.836 61.672 1.74499 69.7 4.5 4.3 5.8
50 1 7 -1 30.902 61.803 1.74167 18.3 1.2 1.1 5.8
51 3 1 2 32.226 64.452 1.67734 15.9 1.0 1.0 5.9
52 0 8 0 32.757 65.513 1.65313 109.1 7.1 6.8 5.9
53 1 5 2 32.843 65.687 1.64924 163.1 10.6 10.1 5.9
54 3 5 -2 33.209 66.418 1.63314 131.5 8.6 8.1 5.9
55 4 4 -2 33.407 66.814 1.62456 21.2 1.4 1.3 5.9
56 6 0 0 33.758 67.516 1.60966 38.6 2.5 2.4 5.9
57 6 2 0 34.884 69.767 1.56399 81.2 5.3 5.0 5.9
58 5 5 0 34.988 69.976 1.55991 187.0 12.2 11.5 5.9
59 0 8 1 35.161 70.322 1.55321 15.4 1.0 0.9 5.9
60 5 3 -2 35.221 70.442 1.55091 32.5 2.1 2.0 5.9
61 5 3 1 35.288 70.576 1.54835 53.0 3.5 3.2 5.9
62 2 0 -3 35.493 70.987 1.54056 20.4 1.3 1.3 5.9
63 2 8 -1 36.286 72.572 1.51138 81.1 5.3 5.0 6.0
64 4 0 2 36.603 73.206 1.5001 106.6 7.0 6.5 6.0
65 0 2 3 37.357 74.714 1.4741 19.9 1.3 1.2 6.0
66 6 0 -2 37.471 74.942 1.47027 65.7 4.3 4.0 6.0
67 6 4 -1 37.688 75.375 1.46307 74.1 4.8 4.5 6.0
68 1 3 -3 37.826 75.651 1.45853 39.0 2.5 2.4 6.0
69 2 8 1 38.154 76.307 1.44788 55.8 3.6 3.4 6.0
70 1 1 3 38.445 76.89 1.43859 16.3 1.1 1.0 6.0
71 4 0 -3 38.818 77.636 1.42691 16.4 1.1 1.0 6.0
72 3 5 2 38.889 77.778 1.42472 29.3 1.9 1.8 6.0
73 6 0 1 38.924 77.849 1.42363 20.0 1.3 1.2 6.0
74 5 5 -2 39.571 79.142 1.4041 22.9 1.5 1.4 6.0
75 5 5 1 39.635 79.27 1.4022 40.3 2.6 2.4 6.0
76 2 4 -3 39.832 79.665 1.39641 41.0 2.7 2.5 6.0
77 4 2 -3 39.887 79.774 1.39481 16.3 1.1 1.0 6.0
78 0 4 3 40.575 81.15 1.37515 20.9 1.4 1.3 6.1
79 4 8 -1 41.408 82.817 1.35233 34.5 2.3 2.1 6.1
80 1 5 -3 42.089 84.178 1.33445 59.4 3.9 3.5 6.1
81 0 10 0 42.558 85.117 1.3225 54.0 3.5 3.2 6.1
82 7 3 0 42.79 85.579 1.31672 26.9 1.8 1.6 6.1
83 3 9 -1 42.881 85.762 1.31446 37.9 2.5 2.2 6.1
84 4 4 -3 43.058 86.116 1.31011 17.0 1.1 1.0 6.1
85 3 5 -3 43.326 86.653 1.30359 53.4 3.5 3.2 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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