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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WILHELMKLEINITE
1
ZnFe'''(2)(OH)(2)[AsO(4)](2)
Monoclinic P 2(1)/n Z = 2
R =0.024 NR =1092
19 .9 .1900
Ref.Str.:
G. Adiwidjaja, K. Friese, K.-H. Klaska, P.B. Moore, J. Schlueter (2000)
* Z. Kristallogr., 215, 96-101
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.631 alpha = 90.0
b = 7.611 beta = 91.8
c = 7.377 gamma = 90.0
Unit cell volume (cub. angs.) = 372.12
Molar volume ( cub.cm/mol.) = 112.07
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.5 0.01 Zn = 1.00
2 0.2286 0.3644 0.2627 0.01 Fe = 1.00
3 0.2427 0.624 0.6332 0.01 As = 1.00
4 0.222 0.4436 0.5067 0.01 O = 1.00
5 0.06 0.6349 0.7856 0.01 O = 1.00
6 0.4618 0.6158 0.7542 0.01 O = 1.00
7 0.2348 0.8079 0.5064 0.01 O = 1.00
8 0.2455 0.1168 0.3561 0.01 O = 1.00
9 0.336 0.118 0.422 0.05 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.5
2 2 0.2286 0.3644 0.2627
3 3 0.2427 0.624 0.6332
4 4 0.222 0.4436 0.5067
5 5 0.06 0.6349 0.7856
6 6 0.4618 0.6158 0.7542
7 7 0.2348 0.8079 0.5064
8 8 0.2455 0.1168 0.3561
9 9 0.336 0.118 0.422
10 2 0.7714 0.6356 0.7373
11 3 0.7573 0.376 0.3668
12 4 0.778 0.5564 0.4933
13 5 0.94 0.3651 0.2144
14 6 0.5382 0.3842 0.2458
15 7 0.7652 0.1921 0.4936
16 8 0.7545 0.8832 0.6439
17 9 0.664 0.882 0.578
18 1 0.5 0.5 0.0
19 2 0.7286 0.1356 0.7627
20 3 0.7427 0.876 0.1332
21 4 0.722 0.0564 0.0067
22 5 0.56 0.8651 0.2856
23 6 0.9618 0.8842 0.2542
24 7 0.7348 0.6921 0.0064
25 8 0.7455 0.3832 0.8561
26 9 0.836 0.382 0.922
27 2 0.2714 0.8644 0.2373
28 3 0.2573 0.124 0.8668
29 4 0.278 0.9436 0.9933
30 5 0.44 0.1349 0.7144
31 6 0.0382 0.1158 0.7458
32 7 0.2652 0.3079 0.9936
33 8 0.2545 0.6168 0.1439
34 9 0.164 0.618 0.078
X-ray density (g/cm cub.) = 4.36
MU (1/cm) = 249.152 Mass attenuation coefficient (cm**2/g) = 57.118
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zn 2.628 6
2.1354 7
2.1622 8
2.1354 7
2.1622 8
2.0248 6
2.0248 6
2 Fe 2.592 6
1.9001 4
2.0091 8
1.9355 5
2.0663 6
2.053 7
2.1202 8
3 As 2.46 4
1.6632 4
1.6803 5
1.6826 6
1.6836 7
4 O 3.264 9
2.7651 5
2.7198 6
2.7741 7
2.7308 8
3.0654 4
2.8727 5
2.9256 6
3.1331 5
2.9975 8
5 O 3.264 10
2.7651 4
2.6855 6
2.7334 7
2.8727 4
2.9391 8
2.777 7
2.8907 8
3.1331 4
3.2043 7
2.9071 8
6 O 3.264 9
2.7198 4
2.6855 5
2.7519 7
2.9256 4
2.9448 8
2.6198 7
2.6736 8
3.2335 7
3.2251 8
7 O 3.264 9
2.7741 4
2.7334 5
2.7519 6
2.6008 8
2.777 5
2.6198 6
3.2043 5
3.2335 6
3.0507 8
8 O 3.264 10
2.7308 4
2.6008 7
2.9391 5
2.9448 6
2.8907 5
2.6736 6
2.9975 4
2.9071 5
3.2251 6
3.0507 7
9 H 1.632 1
0.7602 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 0 1 1 9.724 19.448 0.094 67.19 4 3.8 2.7
2 1 0 -1 10.289 20.577 0.1 59.78 2 54.6 257.6
3 1 1 0 10.309 20.618 0.1 59.54 4 42.2 306.5
4 1 0 1 10.619 21.238 0.103 55.99 2 69.5 390.2
5 1 1 -1 12.345 24.691 0.12 40.88 4 38.7 176.8
6 1 1 1 12.625 25.249 0.122 39.0 4 64.4 466.8
7 0 2 0 13.594 27.188 0.131 33.36 2 46.4 103.5
8 0 0 2 14.041 28.082 0.136 31.14 2 49.0 108.0
9 0 2 1 15.337 30.675 0.148 25.79 4 198.8 2942.9
10 0 1 2 15.64 31.279 0.151 24.73 4 99.7 710.3
11 2 0 0 15.659 31.318 0.151 24.66 2 179.4 1145.8
12 1 2 0 15.726 31.452 0.152 24.43 4 37.3 98.0
13 2 1 0 17.121 34.242 0.165 20.32 4 2.7 0.4
14 1 2 -1 17.17 34.34 0.165 20.2 4 62.9 230.7
15 1 1 -2 17.34 34.681 0.167 19.77 4 36.2 74.7
16 1 2 1 17.378 34.755 0.167 19.68 4 43.4 107.1
17 1 1 2 17.75 35.501 0.17 18.78 4 136.7 1013.3
18 2 1 -1 18.37 36.741 0.176 17.42 4 116.7 685.4
19 2 1 1 18.761 37.522 0.18 16.63 4 102.8 507.6
20 0 2 2 19.743 39.486 0.189 14.86 4 59.6 152.6
21 2 0 -2 20.929 41.859 0.2 13.04 2 64.0 77.3
22 2 2 0 20.972 41.944 0.2 12.99 4 55.7 116.4
23 1 2 -2 21.157 42.314 0.202 12.73 4 22.2 18.1
24 1 2 2 21.505 43.01 0.205 12.28 4 19.7 13.8
25 2 0 2 21.626 43.253 0.206 12.12 2 61.0 65.1
26 0 3 1 21.892 43.783 0.208 11.79 4 57.7 113.3
27 2 2 -1 22.035 44.071 0.21 11.62 4 91.3 280.1
28 2 1 -2 22.089 44.179 0.21 11.56 4 116.1 450.3
29 1 3 0 22.18 44.359 0.211 11.45 4 61.0 123.1
30 2 2 1 22.372 44.744 0.213 11.23 4 104.7 355.9
31 0 1 3 22.485 44.969 0.214 11.1 4 81.8 214.6
32 1 0 -3 22.591 45.182 0.215 10.99 2 175.9 490.7
33 2 1 2 22.758 45.516 0.216 10.8 4 87.9 241.0
34 1 0 3 23.085 46.171 0.219 10.46 2 61.6 57.3
35 1 3 -1 23.28 46.56 0.221 10.26 4 2.9 0.3
36 1 3 1 23.442 46.884 0.222 10.1 4 7.2 1.5
37 1 1 -3 23.686 47.372 0.225 9.87 4 11.1 3.5
38 1 1 3 24.163 48.326 0.229 9.43 4 19.2 10.1
39 3 0 -1 24.771 49.542 0.234 8.92 2 59.0 44.8
40 3 1 0 24.935 49.869 0.236 8.78 4 88.5 198.6
41 3 0 1 25.232 50.465 0.238 8.55 2 22.9 6.5
42 2 2 -2 25.316 50.632 0.239 8.48 4 38.4 36.2
43 0 3 2 25.339 50.679 0.239 8.47 4 86.5 182.8
44 0 2 3 25.673 51.346 0.242 8.22 4 61.6 89.9
45 3 1 -1 25.795 51.591 0.243 8.13 4 15.5 5.7
46 2 2 2 25.921 51.841 0.244 8.04 4 35.0 28.5
47 3 1 1 26.244 52.488 0.247 7.82 4 81.1 148.6
48 2 3 0 26.361 52.722 0.248 7.74 4 11.4 2.9
49 1 3 -2 26.517 53.033 0.25 7.63 4 95.6 201.5
50 1 2 -3 26.766 53.533 0.252 7.47 4 35.4 27.0
51 1 3 2 26.81 53.621 0.252 7.45 4 33.3 23.8
52 1 2 3 27.204 54.407 0.256 7.2 4 53.6 59.7
53 2 3 -1 27.262 54.524 0.256 7.17 4 18.4 7.0
54 2 1 -3 27.481 54.962 0.258 7.04 4 21.6 9.5
55 2 3 1 27.55 55.1 0.259 7.0 4 30.7 19.0
56 3 2 0 27.914 55.829 0.262 6.79 4 3.2 0.2
57 0 4 0 28.04 56.08 0.263 6.72 2 171.4 285.4
58 2 1 3 28.336 56.671 0.265 6.57 4 9.5 1.7
59 3 1 -2 28.687 57.374 0.268 6.39 4 105.2 204.3
60 3 2 -1 28.712 57.425 0.269 6.37 4 32.4 19.3
61 0 0 4 29.028 58.056 0.271 6.22 2 65.8 38.9
62 0 4 1 29.044 58.089 0.271 6.21 4 19.9 7.1
63 3 2 1 29.13 58.26 0.272 6.17 4 49.3 43.4
64 1 4 0 29.28 58.56 0.273 6.1 4 24.2 10.3
65 3 1 2 29.519 59.038 0.275 5.99 4 51.4 45.6
66 0 1 4 29.952 59.903 0.279 5.79 4 21.3 7.6
67 2 3 -2 30.126 60.252 0.281 5.72 4 92.6 141.5
68 1 4 -1 30.19 60.381 0.281 5.69 4 44.2 32.1
69 2 2 -3 30.288 60.577 0.282 5.65 4 2.0 0.1
70 1 4 1 30.326 60.652 0.282 5.64 4 42.2 29.0
71 0 3 3 30.444 60.889 0.283 5.59 4 27.9 12.5
72 2 3 2 30.666 61.332 0.285 5.5 4 83.9 111.7
73 1 1 -4 30.877 61.754 0.287 5.41 4 42.1 27.7
74 2 2 3 31.094 62.188 0.289 5.33 4 7.9 0.9
75 1 1 4 31.409 62.819 0.291 5.21 4 43.5 28.5
76 3 2 -2 31.426 62.853 0.291 5.21 4 34.0 17.4
77 1 3 -3 31.427 62.855 0.291 5.21 4 54.4 44.6
78 1 3 3 31.823 63.647 0.295 5.07 4 49.2 35.4
79 0 4 2 31.938 63.877 0.296 5.03 4 153.5 342.2
80 3 2 2 32.216 64.431 0.298 4.93 4 69.8 69.4
81 3 0 -3 32.4 64.8 0.3 4.87 2 82.4 47.8
82 3 3 0 32.47 64.941 0.3 4.85 4 17.6 4.3
83 0 2 4 32.627 65.254 0.301 4.8 4 31.1 13.4
84 4 0 0 32.672 65.344 0.302 4.79 2 240.9 401.1
85 2 4 0 32.824 65.649 0.303 4.74 4 180.1 443.8
86 1 4 -2 32.961 65.921 0.304 4.7 4 18.7 4.7
87 3 3 -1 33.202 66.404 0.306 4.62 4 11.8 1.9
88 2 0 -4 33.216 66.432 0.306 4.62 2 88.3 52.0
89 1 4 2 33.218 66.436 0.306 4.62 4 15.8 3.3
90 3 1 -3 33.268 66.537 0.307 4.6 4 9.7 1.3
91 1 2 -4 33.51 67.021 0.309 4.53 4 183.3 440.0
92 4 1 0 33.537 67.074 0.309 4.53 4 15.6 3.2
93 3 0 3 33.561 67.123 0.309 4.52 2 179.1 209.3
94 3 3 1 33.587 67.173 0.309 4.51 4 42.3 23.4
95 2 4 -1 33.616 67.231 0.309 4.5 4 19.2 4.8
96 2 4 1 33.871 67.742 0.312 4.43 4 16.5 3.5
97 1 2 4 34.021 68.041 0.313 4.39 4 168.9 362.1
98 2 1 -4 34.074 68.148 0.313 4.38 4 55.0 38.2
99 4 1 -1 34.193 68.387 0.314 4.35 4 16.0 3.2
100 2 0 4 34.237 68.474 0.315 4.34 2 58.9 21.7
101 3 1 3 34.415 68.83 0.316 4.29 4 45.5 25.6
102 2 3 -3 34.66 69.321 0.318 4.23 4 133.9 219.0
103 4 1 1 34.699 69.397 0.318 4.22 4 9.5 1.1
104 2 1 4 35.083 70.166 0.321 4.13 4 21.2 5.4
105 2 3 3 35.412 70.825 0.324 4.05 4 105.8 130.8
106 3 3 -2 35.724 71.448 0.326 3.98 4 5.4 0.3
107 4 0 -2 35.793 71.585 0.327 3.96 2 28.2 4.6
108 3 2 -3 35.811 71.622 0.327 3.96 4 43.6 21.8
109 4 2 0 36.07 72.141 0.329 3.9 4 34.0 13.0
110 2 4 -2 36.186 72.373 0.33 3.88 4 13.7 2.1
111 3 3 2 36.467 72.933 0.332 3.82 4 132.4 193.7
112 0 4 3 36.477 72.954 0.332 3.82 4 15.3 2.6
113 2 2 -4 36.591 73.181 0.333 3.8 4 48.8 26.2
114 4 1 -2 36.623 73.245 0.333 3.79 4 102.4 114.8
115 2 4 2 36.68 73.359 0.334 3.78 4 10.8 1.3
116 4 2 -1 36.706 73.413 0.334 3.78 4 115.3 145.1
117 4 0 2 36.781 73.562 0.335 3.76 2 5.7 0.2
118 0 3 4 36.856 73.711 0.335 3.75 4 23.8 6.1
119 0 5 1 36.87 73.74 0.335 3.74 4 90.0 87.7
120 3 2 3 36.922 73.843 0.336 3.73 4 27.8 8.3
121 1 5 0 37.079 74.157 0.337 3.71 4 41.2 18.2
122 4 2 1 37.197 74.394 0.338 3.68 4 111.7 132.7
123 1 4 -3 37.379 74.758 0.339 3.65 4 55.9 33.0
124 2 2 4 37.571 75.142 0.341 3.62 4 50.8 27.0
125 4 1 2 37.602 75.205 0.341 3.61 4 47.6 23.7
126 1 3 -4 37.694 75.387 0.342 3.6 4 40.0 16.6
127 1 4 3 37.745 75.49 0.342 3.59 4 131.0 177.8
128 1 5 -1 37.891 75.781 0.343 3.56 4 31.6 10.3
129 1 5 1 38.012 76.024 0.344 3.54 4 60.4 37.3
130 1 0 -5 38.114 76.228 0.345 3.53 2 71.4 26.0
131 0 1 5 38.158 76.316 0.345 3.52 4 52.3 27.8
132 1 3 4 38.18 76.36 0.346 3.51 4 37.9 14.6
133 3 4 0 38.346 76.692 0.347 3.49 4 22.2 5.0
134 1 0 5 38.719 77.439 0.35 3.43 2 137.8 94.0
135 1 1 -5 38.926 77.852 0.351 3.4 4 39.2 15.1
136 3 4 -1 39.029 78.057 0.352 3.39 4 23.9 5.6
137 4 2 -2 39.073 78.147 0.352 3.38 4 41.6 16.9
138 3 1 -4 39.281 78.562 0.354 3.35 4 43.9 18.7
139 3 4 1 39.39 78.779 0.355 3.33 4 69.3 46.3
140 0 5 2 39.474 78.948 0.355 3.32 4 68.7 45.3
141 1 1 5 39.528 79.055 0.356 3.32 4 42.5 17.3
142 3 3 -3 39.897 79.795 0.359 3.27 4 37.2 13.1
143 4 2 2 40.034 80.067 0.36 3.25 4 41.5 16.2
144 4 3 0 40.148 80.296 0.36 3.24 4 15.0 2.1
145 2 5 0 40.289 80.577 0.361 3.22 4 1.5 0.0
146 2 4 -3 40.403 80.806 0.362 3.21 4 10.6 1.0
147 1 5 -2 40.414 80.829 0.362 3.2 4 109.9 111.8
148 0 2 5 40.579 81.158 0.364 3.19 4 10.2 1.0
149 2 3 -4 40.651 81.302 0.364 3.18 4 55.1 27.9
150 1 5 2 40.653 81.306 0.364 3.18 4 26.3 6.4
151 4 1 -3 40.706 81.411 0.365 3.17 4 102.3 95.8
152 3 1 4 40.717 81.435 0.365 3.17 4 65.2 38.9
153 4 3 -1 40.763 81.526 0.365 3.16 4 79.2 57.3
154 3 3 3 40.972 81.943 0.367 3.14 4 65.9 39.4
155 2 5 -1 41.022 82.045 0.367 3.14 4 17.9 2.9
156 2 4 3 41.118 82.236 0.368 3.13 4 20.1 3.6
157 4 3 1 41.239 82.478 0.368 3.11 4 35.8 11.5
158 2 5 1 41.26 82.52 0.369 3.11 4 10.5 1.0
159 1 2 -5 41.336 82.671 0.369 3.1 4 46.4 19.3
160 3 4 -2 41.415 82.83 0.37 3.09 4 12.4 1.4
161 2 3 4 41.602 83.205 0.371 3.08 4 14.3 1.8
162 3 2 -4 41.686 83.371 0.372 3.07 4 160.2 227.5
163 2 1 -5 41.801 83.602 0.373 3.06 4 53.4 25.2
164 1 2 5 41.929 83.858 0.374 3.04 4 30.8 8.3
165 3 4 2 42.127 84.254 0.375 3.03 4 15.7 2.2
166 4 1 3 42.131 84.262 0.375 3.03 4 51.1 22.8
167 0 4 4 42.501 85.002 0.378 2.99 4 57.7 28.8
168 2 1 5 42.984 85.969 0.381 2.96 4 20.6 3.6
169 5 0 -1 42.988 85.976 0.381 2.95 2 97.3 40.4
170 4 3 -2 43.071 86.142 0.382 2.95 4 73.4 45.9
171 4 2 -3 43.094 86.189 0.382 2.95 4 36.5 11.4
172 3 2 4 43.106 86.212 0.382 2.95 4 181.6 280.8
173 5 1 0 43.231 86.462 0.383 2.94 4 0.7 0.0
174 1 4 -4 43.311 86.622 0.383 2.93 4 11.9 1.2
175 2 5 -2 43.446 86.892 0.384 2.92 4 87.7 64.8
176 5 0 1 43.578 87.156 0.385 2.91 2 39.5 6.6
177 0 5 3 43.724 87.447 0.386 2.9 4 11.1 1.0
178 5 1 -1 43.78 87.561 0.387 2.9 4 3.7 0.1
179 1 4 4 43.783 87.566 0.387 2.9 4 7.8 0.5
180 2 5 2 43.918 87.836 0.388 2.89 4 59.5 29.6
181 4 3 2 44.015 88.03 0.388 2.88 4 64.3 34.5
182 2 2 -5 44.181 88.363 0.39 2.87 4 45.4 17.1
183 5 1 1 44.37 88.74 0.391 2.86 4 65.6 35.6
184 4 2 3 44.51 89.02 0.392 2.85 4 7.2 0.4
185 0 3 5 44.553 89.107 0.392 2.85 4 0.8 0.0
186 1 5 -3 44.591 89.182 0.392 2.85 4 2.0 0.0
187 0 6 0 44.84 89.68 0.394 2.84 2 50.7 10.5
188 1 5 3 44.944 89.889 0.395 2.83 4 16.4 2.2
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 10.309 20.618 4.99824 564.1 19.2 19.3 5.6
2 1 0 1 10.619 21.238 4.85389 390.2 13.3 13.4 5.6
3 1 1 -1 12.345 24.691 4.18354 176.8 6.0 6.0 5.6
4 1 1 1 12.625 25.249 4.09247 466.8 15.9 15.9 5.6
5 0 2 0 13.594 27.188 3.8055 103.5 3.5 3.5 5.6
6 0 0 2 14.041 28.082 3.68668 108.0 3.7 3.7 5.6
7 0 2 1 15.337 30.675 3.38167 2942.9 100.0 100.0 5.6
8 2 0 0 15.659 31.318 3.31386 1856.1 63.1 63.0 5.6
9 1 2 0 15.726 31.452 3.30018 98.0 3.3 3.3 5.6
10 1 2 -1 17.17 34.34 3.02995 230.7 7.8 7.8 5.7
11 1 1 -2 17.34 34.681 3.00107 74.7 2.5 2.5 5.7
12 1 2 1 17.378 34.755 2.99481 107.1 3.6 3.6 5.7
13 1 1 2 17.75 35.501 2.9339 1013.3 34.4 34.3 5.7
14 2 1 -1 18.37 36.741 2.83814 685.4 23.3 23.2 5.7
15 2 1 1 18.761 37.522 2.78112 507.6 17.2 17.1 5.7
16 0 2 2 19.743 39.486 2.64789 152.6 5.2 5.1 5.7
17 2 0 -2 20.929 41.859 2.50397 77.3 2.6 2.6 5.7
18 2 2 0 20.972 41.944 2.49912 116.4 4.0 3.9 5.7
19 2 0 2 21.626 43.253 2.42694 65.1 2.2 2.2 5.7
20 0 3 1 21.892 43.783 2.39897 113.3 3.8 3.8 5.7
21 2 2 -1 22.035 44.071 2.38409 280.1 9.5 9.4 5.7
22 2 1 -2 22.089 44.179 2.37855 450.3 15.3 15.1 5.7
23 1 3 0 22.18 44.359 2.36935 123.1 4.2 4.1 5.7
24 2 2 1 22.372 44.744 2.35 355.9 12.1 11.9 5.7
25 0 1 3 22.485 44.969 2.33886 214.6 7.3 7.2 5.7
26 1 0 -3 22.591 45.182 2.3284 490.7 16.7 16.4 5.7
27 2 1 2 22.758 45.516 2.31224 241.0 8.2 8.1 5.7
28 1 0 3 23.085 46.171 2.2812 57.3 1.9 1.9 5.7
29 3 0 -1 24.771 49.542 2.13481 44.8 1.5 1.5 5.7
30 3 1 0 24.935 49.869 2.12167 198.6 6.7 6.6 5.7
31 0 3 2 25.339 50.679 2.08996 219.0 7.4 7.3 5.8
32 0 2 3 25.673 51.346 2.06462 89.9 3.1 3.0 5.8
33 3 1 1 26.244 52.488 2.02278 148.6 5.1 4.9 5.8
34 1 3 -2 26.517 53.033 2.00346 201.5 6.8 6.7 5.8
35 1 2 3 27.204 54.407 1.95659 59.7 2.0 2.0 5.8
36 0 4 0 28.04 56.08 1.90275 285.4 9.7 9.4 5.8
37 3 1 -2 28.687 57.374 1.86335 223.6 7.6 7.4 5.8
38 0 0 4 29.028 58.056 1.84334 46.0 1.6 1.5 5.8
39 3 2 1 29.13 58.26 1.83745 43.4 1.5 1.4 5.8
40 3 1 2 29.519 59.038 1.81537 45.6 1.6 1.5 5.8
41 2 3 -2 30.126 60.252 1.78214 141.5 4.8 4.7 5.8
42 1 4 -1 30.19 60.381 1.77869 32.1 1.1 1.1 5.8
43 2 3 2 30.666 61.332 1.75373 111.7 3.8 3.7 5.8
44 1 3 -3 31.427 62.855 1.71544 90.5 3.1 3.0 5.9
45 1 3 3 31.823 63.647 1.6963 35.4 1.2 1.2 5.9
46 0 4 2 31.938 63.877 1.69083 342.2 11.6 11.2 5.9
47 3 2 2 32.216 64.431 1.67783 69.4 2.4 2.3 5.9
48 3 0 -3 32.4 64.8 1.66931 47.8 1.6 1.6 5.9
49 4 0 0 32.672 65.344 1.65693 401.1 13.6 13.1 5.9
50 2 4 0 32.824 65.649 1.65009 443.8 15.1 14.5 5.9
51 1 4 2 33.218 66.436 1.63273 57.2 1.9 1.9 5.9
52 1 2 -4 33.51 67.021 1.62014 443.2 15.1 14.4 5.9
53 3 0 3 33.561 67.123 1.61796 232.7 7.9 7.6 5.9
54 1 2 4 34.021 68.041 1.5987 362.1 12.3 11.8 5.9
55 2 1 -4 34.074 68.148 1.5965 38.2 1.3 1.2 5.9
56 2 3 -3 34.66 69.321 1.57279 219.0 7.4 7.1 5.9
57 2 3 3 35.412 70.825 1.54361 130.8 4.4 4.2 5.9
58 3 3 2 36.467 72.933 1.50492 196.2 6.7 6.3 6.0
59 4 1 -2 36.623 73.245 1.49941 114.8 3.9 3.7 6.0
60 4 2 -1 36.706 73.413 1.49647 146.3 5.0 4.7 6.0
61 0 5 1 36.87 73.74 1.49076 93.8 3.2 3.0 6.0
62 4 2 1 37.197 74.394 1.47953 132.7 4.5 4.3 6.0
63 1 4 -3 37.379 74.758 1.47336 33.0 1.1 1.1 6.0
64 1 4 3 37.745 75.49 1.46118 177.8 6.0 5.7 6.0
65 1 5 1 38.012 76.024 1.45245 37.3 1.3 1.2 6.0
66 0 1 5 38.158 76.316 1.44775 42.4 1.4 1.4 6.0
67 1 0 5 38.719 77.439 1.42998 94.0 3.2 3.0 6.0
68 3 4 1 39.39 78.779 1.40951 46.3 1.6 1.5 6.0
69 0 5 2 39.474 78.948 1.40699 45.3 1.5 1.4 6.0
70 1 5 -2 40.414 80.829 1.37968 112.9 3.8 3.6 6.1
71 2 3 -4 40.651 81.302 1.37303 34.2 1.2 1.1 6.1
72 4 1 -3 40.706 81.411 1.37151 134.7 4.6 4.3 6.1
73 4 3 -1 40.763 81.526 1.36991 57.3 1.9 1.8 6.1
74 3 3 3 40.972 81.943 1.36416 39.4 1.3 1.2 6.1
75 3 2 -4 41.686 83.371 1.34497 227.5 7.7 7.2 6.1
76 5 0 -1 42.988 85.976 1.31183 44.1 1.5 1.4 6.1
77 4 3 -2 43.071 86.142 1.30979 57.2 1.9 1.8 6.1
78 3 2 4 43.106 86.212 1.30894 280.8 9.5 8.8 6.1
79 2 5 -2 43.446 86.892 1.30071 64.8 2.2 2.0 6.1
80 2 5 2 43.918 87.836 1.28954 29.6 1.0 0.9 6.2
81 4 3 2 44.015 88.03 1.28728 34.5 1.2 1.1 6.2
82 5 1 1 44.37 88.74 1.2791 35.6 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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