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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KEMPITE
1, beta, t-atacamite
Mn(2)(OH)(3)Cl
Orthorhombic P nma Z = 36
Pnma
25 .9 .1995
Ref.Str.:
Sokolova E.V., Egorov-Tismenko Jr.K. (1990)
* Kristallogr., 35, 995-997
Ref.Composition & Lattice:
Saini-Eidukat B. et al. (1994)
* Amer. Mineral., 79, 555-561
Reserv:
The coordinates of atoms are consididered to equal to those
of atacamite. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.47 alpha = 90.0
b = 7.12 beta = 90.0
c = 9.52 gamma = 90.0
Unit cell volume (cub. angs.) = 438.55
Molar volume ( cub.cm/mol.) = 7.34
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 1.48 Mn = 1.00
2 0.1915 0.25 0.261 1.09 Mn = 1.00
3 0.189 0.25 0.5388 1.3 Cl = 1.00
4 0.444 0.052 0.283 1.0 O = 1.00
5 0.179 0.25 0.026 1.3 O = 1.00
6 0.097 0.074 0.691 2.0 H = 1.00
7 0.366 0.25 0.998 2.0 H = 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 0.1915 0.25 0.261
3 3 0.189 0.25 0.5388
4 4 0.444 0.052 0.283
5 5 0.179 0.25 0.026
6 6 0.097 0.074 0.691
7 7 0.366 0.25 0.998
8 1 0.5 0.0 0.5
9 2 0.3085 0.75 0.761
10 3 0.311 0.75 0.0388
11 4 0.056 0.948 0.783
12 5 0.321 0.75 0.526
13 6 0.403 0.926 0.191
14 7 0.134 0.75 0.498
15 1 0.5 0.5 0.5
16 4 0.056 0.552 0.783
17 6 0.403 0.574 0.191
18 1 0.0 0.5 0.0
19 4 0.444 0.448 0.283
20 6 0.097 0.426 0.691
21 2 0.6915 0.25 0.239
22 3 0.689 0.25 0.9612
23 4 0.944 0.052 0.217
24 5 0.679 0.25 0.474
25 6 0.597 0.074 0.809
26 7 0.866 0.25 0.502
27 2 0.8085 0.75 0.739
28 3 0.811 0.75 0.4612
29 4 0.556 0.948 0.717
30 5 0.821 0.75 0.974
31 6 0.903 0.926 0.309
32 7 0.634 0.75 0.002
33 4 0.556 0.552 0.717
34 6 0.903 0.574 0.309
35 4 0.944 0.448 0.217
36 6 0.597 0.426 0.809
X-ray density (g/cm cub.) = 2.97
MU (1/cm) = 539.403 Mass attenuation coefficient (cm**2/g) = 181.441
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn 3.264 6
2.138 5
2.7118 3
2.1298 4
2.7118 3
2.1298 4
2.138 5
2 Mn 3.264 6
2.6447 3
2.168 4
2.2387 5
2.168 4
2.1742 4
2.1742 4
3 Cl 4.344 12
3.2619 4
3.2816 4
3.663 5
3.663 5
3.2816 4
3.2619 4
3.7263 4
3.2298 5
3.3569 5
3.6249 4
3.6249 4
3.7263 4
4 O 3.804 10
3.2619 3
3.3035 5
3.2816 3
3.2571 5
2.8195 4
3.7263 3
3.2955 4
3.2955 4
2.7578 5
3.6249 3
5 O 3.804 10
3.3035 4
3.663 3
3.663 3
3.2571 4
3.2571 4
3.3035 4
3.3569 3
3.2298 3
2.7578 4
2.7578 4
6 H 2.172 2
2.006 3
1.2815 4
7 H 2.172 2
1.2389 5
2.119 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 1 1 7.764 15.528 0.088 106.63 4 94.4 1978.2
2 1 0 1 8.276 16.553 0.093 93.58 4 82.8 1334.7
3 0 0 2 9.313 18.626 0.105 73.45 2 27.4 57.2
4 1 1 1 10.374 20.748 0.117 58.77 8 33.6 275.9
5 1 0 2 11.59 23.179 0.13 46.67 4 16.8 27.4
6 0 2 0 12.496 24.992 0.14 39.85 2 40.2 67.0
7 1 1 2 13.19 26.38 0.148 35.56 8 16.8 41.7
8 2 0 0 13.775 27.55 0.155 32.44 2 5.1 0.9
9 2 0 1 14.565 29.13 0.163 28.8 4 10.3 6.3
10 1 2 1 15.063 30.126 0.169 26.8 8 93.7 978.8
11 2 1 0 15.161 30.322 0.17 26.43 4 94.6 492.2
12 0 1 3 15.412 30.823 0.173 25.52 4 108.2 621.1
13 0 2 2 15.676 31.351 0.175 24.6 4 42.5 92.6
14 1 0 3 15.686 31.371 0.175 24.57 4 50.5 130.2
15 2 1 1 15.888 31.777 0.178 23.9 8 38.2 145.3
16 2 0 2 16.732 33.464 0.187 21.37 4 48.0 102.6
17 1 1 3 16.93 33.86 0.189 20.83 8 3.9 1.3
18 1 2 2 17.173 34.346 0.192 20.19 8 21.9 40.4
19 2 1 2 17.912 35.823 0.2 18.42 8 2.5 0.5
20 2 2 0 18.768 37.535 0.209 16.62 4 192.6 1282.7
21 0 0 4 18.884 37.767 0.21 16.39 2 207.7 735.4
22 2 2 1 19.375 38.75 0.215 15.49 8 63.7 261.6
23 0 3 1 19.542 39.083 0.217 15.2 4 30.6 29.6
24 2 0 3 19.878 39.757 0.221 14.63 4 34.6 36.4
25 1 0 4 20.173 40.345 0.224 14.16 4 69.6 142.8
26 1 2 3 20.26 40.52 0.225 14.03 8 50.8 150.8
27 1 3 1 20.796 41.592 0.23 13.23 8 21.4 25.3
28 2 1 3 20.905 41.81 0.232 13.08 8 55.3 166.2
29 2 2 2 21.109 42.217 0.234 12.8 8 32.6 56.7
30 1 1 4 21.188 42.375 0.235 12.69 8 14.8 11.5
31 3 0 1 21.482 42.964 0.238 12.3 4 92.4 218.4
32 1 3 2 22.439 44.878 0.248 11.15 8 6.7 2.1
33 3 1 1 22.449 44.898 0.248 11.14 8 12.4 7.1
34 0 2 4 22.912 45.823 0.253 10.64 4 17.8 7.0
35 3 0 2 23.086 46.172 0.255 10.46 4 15.7 5.4
36 2 0 4 23.691 47.381 0.261 9.87 4 9.5 1.8
37 2 3 0 23.737 47.473 0.261 9.82 4 96.5 190.4
38 2 2 3 23.768 47.535 0.262 9.79 8 67.4 185.3
39 0 3 3 23.909 47.818 0.263 9.66 4 55.7 62.4
40 3 1 2 24.002 48.003 0.264 9.58 8 12.5 6.3
41 1 2 4 24.023 48.047 0.264 9.56 8 48.7 94.3
42 2 3 1 24.242 48.483 0.267 9.36 8 60.2 141.1
43 2 1 4 24.589 49.178 0.27 9.07 8 57.9 126.5
44 0 1 5 24.757 49.514 0.272 8.93 4 38.1 27.0
45 1 0 5 24.943 49.886 0.274 8.78 4 74.5 101.3
46 1 3 3 24.987 49.974 0.274 8.74 8 7.7 2.2
47 3 2 1 25.173 50.346 0.276 8.59 8 37.6 50.5
48 3 0 3 25.584 51.169 0.28 8.28 4 48.8 41.0
49 0 4 0 25.642 51.283 0.281 8.24 2 177.2 269.2
50 2 3 2 25.712 51.423 0.282 8.19 8 19.7 13.3
51 1 1 5 25.809 51.617 0.283 8.12 8 23.3 18.3
52 3 1 3 26.435 52.87 0.289 7.69 8 9.4 2.8
53 3 2 2 26.606 53.211 0.291 7.58 8 3.2 0.3
54 1 4 1 27.133 54.266 0.296 7.25 8 47.2 67.3
55 2 2 4 27.152 54.304 0.296 7.23 8 128.9 500.3
56 0 4 2 27.517 55.034 0.3 7.02 4 38.2 21.3
57 2 0 5 27.997 55.994 0.305 6.75 4 10.9 1.7
58 2 3 3 28.038 56.076 0.305 6.72 8 67.3 126.8
59 1 3 4 28.266 56.531 0.307 6.6 8 38.5 40.7
60 1 2 5 28.293 56.586 0.308 6.59 8 78.0 166.6
61 4 0 0 28.439 56.877 0.309 6.51 2 58.2 22.9
62 1 4 2 28.496 56.993 0.31 6.48 8 10.8 3.2
63 2 1 5 28.799 57.597 0.313 6.33 8 17.0 7.7
64 3 0 4 28.815 57.631 0.313 6.32 4 3.6 0.2
65 3 2 3 28.882 57.765 0.314 6.29 8 42.6 47.4
66 4 0 1 28.884 57.768 0.314 6.29 4 76.2 75.9
67 0 0 6 29.043 58.087 0.315 6.21 2 6.9 0.3
68 4 1 0 29.232 58.464 0.317 6.12 4 108.4 149.6
69 3 3 1 29.297 58.594 0.318 6.09 8 17.4 7.7
70 2 4 0 29.599 59.198 0.321 5.95 4 15.9 3.1
71 3 1 4 29.603 59.205 0.321 5.95 8 49.3 60.2
72 4 1 1 29.67 59.341 0.321 5.92 8 6.5 1.1
73 1 0 6 29.99 59.981 0.324 5.78 4 12.9 2.0
74 2 4 1 30.034 60.067 0.325 5.76 8 26.9 17.3
75 4 0 2 30.196 60.392 0.326 5.69 4 39.0 18.0
76 3 3 2 30.598 61.195 0.33 5.53 8 16.0 5.9
77 1 4 3 30.681 61.362 0.331 5.49 8 43.8 43.9
78 1 1 6 30.759 61.518 0.332 5.46 8 17.6 7.0
79 4 1 2 30.962 61.923 0.334 5.38 8 17.0 6.4
80 2 3 4 31.098 62.196 0.335 5.33 8 61.8 84.6
81 2 2 5 31.124 62.248 0.336 5.32 8 24.8 13.6
82 0 3 5 31.242 62.484 0.337 5.28 4 14.7 2.4
83 2 4 2 31.316 62.632 0.337 5.25 8 52.2 59.6
84 4 2 0 31.538 63.076 0.34 5.17 4 47.7 24.4
85 3 2 4 31.892 63.785 0.343 5.04 8 30.8 19.9
86 4 2 1 31.957 63.915 0.344 5.02 8 23.1 11.2
87 0 2 6 32.107 64.214 0.345 4.97 4 75.1 58.3
88 1 3 5 32.151 64.301 0.345 4.96 8 10.3 2.2
89 4 0 3 32.311 64.622 0.347 4.9 4 83.9 71.7
90 3 0 5 32.66 65.321 0.35 4.79 4 74.4 55.1
91 3 3 3 32.698 65.395 0.351 4.78 8 8.9 1.6
92 0 4 4 32.71 65.419 0.351 4.77 4 125.0 155.3
93 2 0 6 32.733 65.465 0.351 4.77 4 66.6 43.9
94 1 2 6 33.003 66.005 0.354 4.68 8 25.4 12.5
95 4 1 3 33.049 66.097 0.354 4.67 8 7.9 1.2
96 0 5 1 33.158 66.315 0.355 4.64 4 65.3 41.1
97 4 2 2 33.197 66.395 0.355 4.63 8 50.0 48.1
98 2 4 3 33.391 66.782 0.357 4.57 8 38.0 27.4
99 3 1 5 33.394 66.788 0.357 4.57 8 3.7 0.3
100 2 1 6 33.466 66.931 0.358 4.55 8 20.5 8.0
101 1 4 4 33.597 67.193 0.359 4.51 8 43.7 35.9
102 1 5 1 34.039 68.077 0.363 4.39 8 21.5 8.4
103 3 4 1 34.534 69.069 0.368 4.26 8 63.6 71.6
104 2 3 5 34.799 69.598 0.37 4.19 8 24.6 10.6
105 4 0 4 35.155 70.309 0.374 4.11 4 48.0 19.7
106 4 3 0 35.191 70.381 0.374 4.1 4 67.4 38.7
107 0 1 7 35.213 70.427 0.374 4.09 4 60.9 31.6
108 4 2 3 35.215 70.43 0.374 4.09 8 44.1 33.1
109 1 5 2 35.242 70.484 0.375 4.09 8 13.6 3.1
110 1 0 7 35.363 70.727 0.376 4.06 4 32.7 9.0
111 3 3 4 35.526 71.052 0.377 4.02 8 33.1 18.3
112 3 2 5 35.55 71.101 0.377 4.02 8 34.3 19.6
113 4 3 1 35.588 71.176 0.378 4.01 8 0.0 0.0
114 2 2 6 35.62 71.239 0.378 4.0 8 13.9 3.2
115 3 4 2 35.73 71.46 0.379 3.98 8 5.9 0.6
116 4 1 4 35.864 71.728 0.38 3.95 8 72.0 85.2
117 1 1 7 36.071 72.142 0.382 3.9 8 30.0 14.6
118 2 4 4 36.194 72.387 0.383 3.88 8 3.9 0.2
119 2 5 0 36.229 72.458 0.384 3.87 4 43.9 15.5
120 0 5 3 36.363 72.725 0.385 3.84 4 74.9 44.9
121 1 3 6 36.583 73.165 0.387 3.8 8 8.8 1.2
122 2 5 1 36.622 73.243 0.387 3.79 8 12.5 2.5
123 4 3 2 36.769 73.537 0.389 3.76 8 7.5 0.9
124 5 0 1 36.923 73.846 0.39 3.73 4 20.0 3.1
125 3 0 6 37.063 74.127 0.391 3.71 4 22.5 3.9
126 1 4 5 37.174 74.348 0.392 3.69 8 39.2 23.5
127 1 5 3 37.209 74.419 0.393 3.68 8 2.0 0.1
128 5 1 1 37.619 75.238 0.396 3.61 8 2.0 0.1
129 3 4 3 37.687 75.375 0.397 3.6 8 41.6 25.9
130 3 1 6 37.758 75.517 0.397 3.58 8 15.2 3.4
131 2 5 2 37.79 75.58 0.398 3.58 8 7.6 0.9
132 2 0 7 37.908 75.816 0.399 3.56 4 36.5 9.9
133 4 2 4 37.959 75.918 0.399 3.55 8 39.1 22.6
134 5 0 2 38.088 76.176 0.4 3.53 4 13.0 1.2
135 1 2 7 38.162 76.323 0.401 3.52 8 14.6 3.1
136 2 1 7 38.598 77.196 0.405 3.45 8 40.7 23.8
137 4 0 5 38.672 77.344 0.406 3.44 4 30.1 6.5
138 4 3 3 38.707 77.413 0.406 3.43 8 3.1 0.1
139 5 1 2 38.777 77.554 0.407 3.42 8 8.2 1.0
140 3 3 5 39.031 78.062 0.409 3.39 8 22.4 7.1
141 2 3 6 39.098 78.196 0.409 3.38 8 23.6 7.8
142 4 1 5 39.357 78.715 0.412 3.34 8 1.9 0.1
143 2 4 5 39.677 79.354 0.414 3.3 8 11.6 1.9
144 5 2 1 39.682 79.363 0.414 3.3 8 57.3 44.9
145 2 5 3 39.711 79.423 0.415 3.29 8 27.5 10.3
146 3 2 6 39.819 79.638 0.416 3.28 8 7.1 0.7
147 1 5 4 39.904 79.808 0.416 3.27 8 0.6 0.0
148 5 0 3 40.005 80.011 0.417 3.25 4 34.8 8.2
149 4 4 0 40.051 80.101 0.418 3.25 4 41.2 11.5
150 0 0 8 40.338 80.676 0.42 3.21 2 61.6 12.7
151 3 4 4 40.372 80.744 0.42 3.21 8 11.7 1.8
152 4 4 1 40.431 80.862 0.421 3.2 8 39.3 20.5
153 0 6 0 40.475 80.949 0.421 3.2 2 47.0 7.3
154 0 4 6 40.568 81.135 0.422 3.19 4 7.3 0.4
155 2 2 7 40.646 81.292 0.423 3.18 8 35.9 17.1
156 5 1 3 40.685 81.37 0.423 3.17 8 2.8 0.1
157 0 3 7 40.752 81.504 0.424 3.17 4 50.2 16.6
158 3 5 1 40.786 81.572 0.424 3.16 8 6.2 0.5
159 5 2 2 40.823 81.645 0.424 3.16 8 1.5 0.0
160 1 0 8 41.159 82.318 0.427 3.12 4 55.9 20.3
161 4 3 4 41.373 82.746 0.429 3.1 8 48.3 30.1
162 1 4 6 41.388 82.775 0.429 3.1 8 14.4 2.7
163 4 2 5 41.396 82.792 0.429 3.1 8 10.9 1.5
164 4 4 2 41.567 83.135 0.431 3.08 8 30.0 11.5
165 1 3 7 41.571 83.142 0.431 3.08 8 18.1 4.2
166 1 6 1 41.673 83.346 0.432 3.07 8 41.7 22.2
167 1 1 8 41.835 83.669 0.433 3.05 8 14.3 2.6
168 3 5 2 41.92 83.841 0.434 3.05 8 5.5 0.4
169 0 6 2 41.988 83.977 0.434 3.04 4 49.1 15.2
170 3 0 7 42.036 84.071 0.435 3.03 4 4.2 0.1
171 2 5 4 42.363 84.726 0.437 3.01 8 31.5 12.4
172 0 5 5 42.491 84.982 0.438 2.99 4 27.3 4.6
173 5 0 4 42.654 85.307 0.44 2.98 4 0.0 0.0
174 3 1 7 42.709 85.418 0.44 2.98 8 4.7 0.3
175 5 2 3 42.711 85.421 0.44 2.98 8 40.3 20.1
176 1 6 2 42.804 85.608 0.441 2.97 8 8.0 0.8
177 4 0 6 42.847 85.695 0.441 2.97 4 28.7 5.1
178 0 2 8 43.039 86.079 0.443 2.95 4 7.9 0.4
179 5 3 1 43.064 86.127 0.443 2.95 8 6.6 0.5
180 3 3 6 43.199 86.398 0.444 2.94 8 23.1 6.5
181 1 5 5 43.306 86.611 0.445 2.93 8 19.9 4.8
182 5 1 4 43.326 86.652 0.445 2.93 8 34.5 14.5
183 4 4 3 43.45 86.901 0.446 2.92 8 52.6 33.6
184 4 1 6 43.519 87.039 0.447 2.92 8 28.4 9.8
185 2 0 8 43.606 87.213 0.448 2.91 4 14.7 1.3
186 2 6 0 43.742 87.483 0.449 2.9 4 79.1 37.8
187 3 4 5 43.768 87.535 0.449 2.9 8 49.6 29.6
188 3 5 3 43.801 87.603 0.449 2.9 8 12.1 1.8
189 2 4 6 43.833 87.667 0.45 2.9 8 52.7 33.5
190 1 2 8 43.853 87.705 0.45 2.89 8 41.8 21.1
191 2 3 7 44.016 88.031 0.451 2.88 8 38.5 17.8
192 2 6 1 44.117 88.234 0.452 2.88 8 16.5 3.2
193 5 3 2 44.19 88.381 0.452 2.87 8 9.7 1.1
194 2 1 8 44.277 88.555 0.453 2.87 8 15.7 2.9
195 1 6 3 44.681 89.363 0.456 2.84 8 37.6 16.7
196 3 2 7 44.723 89.447 0.457 2.84 8 47.3 26.4
197 4 3 5 44.759 89.517 0.457 2.84 8 0.3 0.0
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 1 7.764 15.528 5.70174 1978.2 100.0 100.0 5.6
2 1 0 1 8.276 16.553 5.35115 1334.7 67.5 67.4 5.6
3 0 0 2 9.313 18.626 4.76 57.2 2.9 2.9 5.6
4 1 1 1 10.374 20.748 4.27771 275.9 13.9 13.9 5.6
5 1 0 2 11.59 23.179 3.83415 27.4 1.4 1.4 5.6
6 0 2 0 12.496 24.992 3.56 67.0 3.4 3.4 5.6
7 1 1 2 13.19 26.38 3.3758 41.7 2.1 2.1 5.6
8 1 2 1 15.063 30.126 2.964 978.8 49.5 49.0 5.6
9 2 1 0 15.161 30.322 2.94525 492.2 24.9 24.6 5.6
10 0 1 3 15.412 30.823 2.89848 621.1 31.4 31.0 5.6
11 1 0 3 15.686 31.371 2.84909 222.7 11.3 11.1 5.6
12 2 1 1 15.888 31.777 2.81367 145.3 7.3 7.3 5.6
13 2 0 2 16.732 33.464 2.67558 102.6 5.2 5.1 5.7
14 1 2 2 17.173 34.346 2.60884 40.4 2.0 2.0 5.7
15 2 2 0 18.768 37.535 2.39416 1282.7 64.8 63.7 5.7
16 0 0 4 18.884 37.767 2.38 735.4 37.2 36.5 5.7
17 2 2 1 19.375 38.75 2.32186 261.6 13.2 13.0 5.7
18 0 3 1 19.542 39.083 2.30285 29.6 1.5 1.5 5.7
19 2 0 3 19.878 39.757 2.26537 36.4 1.8 1.8 5.7
20 1 0 4 20.173 40.345 2.23367 142.8 7.2 7.1 5.7
21 1 2 3 20.26 40.52 2.22444 150.8 7.6 7.5 5.7
22 1 3 1 20.796 41.592 2.16952 25.3 1.3 1.3 5.7
23 2 1 3 20.905 41.81 2.15874 166.2 8.4 8.2 5.7
24 2 2 2 21.109 42.217 2.13885 56.7 2.9 2.8 5.7
25 3 0 1 21.482 42.964 2.10337 218.4 11.0 10.8 5.7
26 2 3 0 23.737 47.473 1.91359 190.4 9.6 9.4 5.7
27 2 2 3 23.768 47.535 1.91123 185.3 9.4 9.1 5.7
28 0 3 3 23.909 47.818 1.90058 62.4 3.2 3.1 5.7
29 1 2 4 24.023 48.047 1.89207 100.5 5.1 4.9 5.7
30 2 3 1 24.242 48.483 1.87606 141.1 7.1 6.9 5.7
31 2 1 4 24.589 49.178 1.85115 126.5 6.4 6.2 5.7
32 0 1 5 24.757 49.514 1.83937 27.0 1.4 1.3 5.7
33 1 0 5 24.943 49.886 1.82655 101.3 5.1 5.0 5.7
34 3 2 1 25.173 50.346 1.81091 50.5 2.6 2.5 5.8
35 3 0 3 25.584 51.169 1.78372 41.0 2.1 2.0 5.8
36 0 4 0 25.642 51.283 1.78 269.2 13.6 13.2 5.8
37 2 2 4 27.152 54.304 1.6879 567.6 28.7 27.7 5.8
38 0 4 2 27.517 55.034 1.66724 21.3 1.1 1.0 5.8
39 2 3 3 28.038 56.076 1.6387 126.8 6.4 6.2 5.8
40 1 2 5 28.293 56.586 1.62513 207.3 10.5 10.1 5.8
41 4 0 0 28.439 56.877 1.6175 22.9 1.2 1.1 5.8
42 4 0 1 28.884 57.768 1.59465 123.3 6.2 6.0 5.8
43 4 1 0 29.232 58.464 1.57731 149.6 7.6 7.3 5.8
44 3 1 4 29.603 59.205 1.55933 63.3 3.2 3.1 5.8
45 1 4 3 30.681 61.362 1.5096 43.9 2.2 2.1 5.8
46 2 3 4 31.098 62.196 1.49132 98.2 5.0 4.7 5.8
47 2 4 2 31.316 62.632 1.482 59.6 3.0 2.9 5.8
48 4 2 0 31.538 63.076 1.47262 24.4 1.2 1.2 5.9
49 3 2 4 31.892 63.785 1.45796 19.9 1.0 1.0 5.9
50 0 2 6 32.107 64.214 1.44924 58.3 2.9 2.8 5.9
51 4 0 3 32.311 64.622 1.44109 71.7 3.6 3.4 5.9
52 3 0 5 32.66 65.321 1.42734 55.1 2.8 2.6 5.9
53 0 4 4 32.71 65.419 1.42544 200.8 10.1 9.6 5.9
54 0 5 1 33.158 66.315 1.40833 41.1 2.1 2.0 5.9
55 4 2 2 33.197 66.395 1.40684 48.1 2.4 2.3 5.9
56 2 4 3 33.391 66.782 1.39963 27.7 1.4 1.3 5.9
57 1 4 4 33.597 67.193 1.39205 35.9 1.8 1.7 5.9
58 3 4 1 34.534 69.069 1.35876 71.6 3.6 3.4 5.9
59 4 3 0 35.191 70.381 1.3366 103.3 5.2 4.9 5.9
60 3 2 5 35.55 71.101 1.32483 37.9 1.9 1.8 5.9
61 4 1 4 35.864 71.728 1.31478 85.2 4.3 4.0 5.9
62 0 5 3 36.363 72.725 1.29919 44.9 2.3 2.1 6.0
63 1 4 5 37.174 74.348 1.27479 23.5 1.2 1.1 6.0
64 3 4 3 37.687 75.375 1.25996 25.9 1.3 1.2 6.0
65 4 2 4 37.959 75.918 1.25229 22.6 1.1 1.1 6.0
66 2 1 7 38.598 77.196 1.23472 23.8 1.2 1.1 6.0
67 5 2 1 39.682 79.363 1.20635 57.1 2.9 2.7 6.0
68 4 4 1 40.431 80.862 1.18773 20.5 1.0 1.0 6.1
69 1 0 8 41.159 82.318 1.17037 20.3 1.0 0.9 6.1
70 4 3 4 41.373 82.746 1.1654 34.2 1.7 1.6 6.1
71 1 6 1 41.673 83.346 1.15852 22.2 1.1 1.0 6.1
72 5 2 3 42.711 85.421 1.13561 20.1 1.0 0.9 6.1
73 4 4 3 43.45 86.901 1.12004 33.6 1.7 1.5 6.1
74 2 6 0 43.742 87.483 1.11408 67.4 3.4 3.1 6.2
75 2 4 6 43.833 87.667 1.11222 54.6 2.8 2.5 6.2
76 3 2 7 44.723 89.447 1.09464 26.4 1.3 1.2 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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