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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CHLORMANGANOKALITE
1, t-rinneite, g-rinneite
K(4)MnCl(6)
Rhombohedral * R3(-)c Z = 2
*R3(-)c
6 .3 .1989
Ref.Str.:
1.Bellanca, Angelo (1946)
* Ricerca scientifica e ricostruzione, 16, 1109
2. Idem (1947)
* Period. Mineral (Roma), 16, 73-78
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.48 alpha = 89.53
b = 8.48 beta = 89.53
c = 8.48 gamma = 89.53
Unit cell volume (cub. angs.) = 609.74
Molar volume ( cub.cm/mol.) = 183.63
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.25 0.25 0.25 0.0 Mn = 1.00
2 0.0 0.0 0.0 0.0 K = 1.00
3 0.5 0.0 0.0 0.0 K = 1.00
4 0.25 0.25 0.0 0.0 Cl = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.25 0.25
2 2 0.0 0.0 0.0
3 3 0.5 0.0 0.0
4 4 0.25 0.25 0.0
5 1 0.75 0.75 0.75
6 4 0.75 0.75 0.0
7 3 0.0 0.0 0.5
8 3 0.0 0.5 0.0
9 4 0.25 0.0 0.25
10 4 0.0 0.25 0.25
11 4 0.75 0.0 0.75
12 4 0.0 0.75 0.75
13 2 0.5 0.5 0.5
14 3 0.5 0.0 0.5
15 4 0.75 0.75 0.5
16 4 0.25 0.25 0.5
17 3 0.5 0.5 0.0
18 3 0.0 0.5 0.5
19 4 0.5 0.75 0.75
20 4 0.75 0.5 0.75
21 4 0.5 0.25 0.25
22 4 0.25 0.5 0.25
X-ray density (g/cm cub.) = 2.31
MU (1/cm) = 329.798 Mass attenuation coefficient (cm**2/g) = 142.836
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn 3.264 6
2.12 4
2.12 4
2.12 4
2.12 4
2.12 4
2.12 4
2 K 3.768 6
3.0104 4
3.0104 4
3.0104 4
3.0104 4
3.0104 4
3.0104 4
3 K 3.768 6
2.9858 4
2.9858 4
2.9858 4
2.9858 4
3.0104 4
3.0104 4
4 Cl 4.344 6
2.9858 4
2.9858 4
4.24 4
4.24 4
3.0104 4
3.0104 4
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 1 0 0 5.212 10.424 0.059 239.39 6 0.0 0.0
2 1 1 0 7.351 14.702 0.083 119.22 6 109.9 2321.8
3 1 -1 0 7.411 14.822 0.084 117.25 6 109.7 2278.3
4 1 -1 1 9.077 18.155 0.102 77.42 6 0.0 0.0
5 2 0 0 10.468 20.935 0.118 57.68 6 29.8 82.5
6 2 1 0 11.681 23.362 0.131 45.9 12 0.0 0.0
7 2 -1 0 11.758 23.517 0.132 45.28 12 0.0 0.0
8 2 1 1 12.768 25.536 0.143 38.09 6 15.8 15.3
9 2 -1 1 12.874 25.749 0.145 37.42 12 15.7 29.7
10 -2 1 1 12.91 25.82 0.145 37.21 6 15.7 14.7
11 2 2 0 14.826 29.653 0.166 27.73 6 106.9 511.2
12 2 -2 0 14.95 29.9 0.167 27.24 6 106.6 499.8
13 1 2 2 15.697 31.393 0.176 24.53 6 0.0 0.0
14 -1 2 2 15.814 31.629 0.177 24.14 6 0.0 0.0
15 3 0 0 15.814 31.629 0.177 24.14 6 0.0 0.0
16 1 -2 2 15.873 31.746 0.178 23.95 12 0.0 0.0
17 3 1 0 16.652 33.305 0.186 21.59 12 89.2 554.2
18 3 -1 0 16.736 33.472 0.187 21.35 12 89.0 546.0
19 3 1 1 17.441 34.882 0.195 19.52 6 0.0 0.0
20 3 -1 1 17.548 35.096 0.196 19.26 12 0.0 0.0
21 -3 1 1 17.602 35.203 0.196 19.13 6 0.0 0.0
22 2 2 2 18.187 36.373 0.203 17.81 2 223.0 476.6
23 2 -2 2 18.393 36.786 0.205 17.37 6 221.9 1380.1
24 3 2 0 19.044 38.089 0.212 16.09 12 0.0 0.0
25 3 -2 0 19.193 38.387 0.213 15.82 12 0.0 0.0
26 3 2 1 19.738 39.476 0.219 14.87 12 11.5 6.3
27 3 2 -1 19.858 39.717 0.221 14.67 12 11.4 6.2
28 3 -2 1 19.931 39.861 0.221 14.55 12 11.4 6.1
29 -3 2 1 19.955 39.909 0.222 14.51 12 11.4 6.1
30 4 0 0 21.307 42.614 0.236 12.53 6 275.7 1537.1
31 3 2 2 21.819 43.637 0.241 11.88 6 0.0 0.0
32 4 1 0 21.952 43.904 0.243 11.72 12 0.0 0.0
33 3 -2 2 22.041 44.081 0.244 11.61 12 0.0 0.0
34 4 -1 0 22.041 44.081 0.244 11.61 12 0.0 0.0
35 -3 2 2 22.085 44.17 0.244 11.56 6 0.0 0.0
36 3 3 0 22.571 45.143 0.249 11.01 6 78.0 108.0
37 4 1 1 22.571 45.143 0.249 11.01 6 78.0 108.0
38 4 -1 1 22.68 45.359 0.25 10.89 12 77.8 212.7
39 -4 1 1 22.745 45.489 0.251 10.82 6 77.7 105.4
40 3 -3 0 22.766 45.532 0.251 10.8 6 77.6 105.0
41 1 3 3 23.167 46.334 0.255 10.38 6 0.0 0.0
42 -1 3 3 23.295 46.589 0.257 10.25 6 0.0 0.0
43 1 -3 3 23.421 46.843 0.258 10.12 12 0.0 0.0
44 4 2 0 23.887 47.773 0.263 9.68 12 22.8 16.2
45 4 -2 0 24.052 48.105 0.265 9.53 12 22.7 15.8
46 4 2 1 24.458 48.915 0.269 9.18 12 0.0 0.0
47 4 2 -1 24.58 49.16 0.27 9.07 12 0.0 0.0
48 4 -2 1 24.661 49.322 0.271 9.01 12 0.0 0.0
49 -4 2 1 24.702 49.404 0.271 8.97 12 0.0 0.0
50 2 3 3 25.009 50.018 0.274 8.72 6 9.6 1.3
51 -2 3 3 25.249 50.498 0.277 8.54 6 9.6 1.3
52 2 -3 3 25.309 50.618 0.277 8.49 12 9.6 2.5
53 4 2 2 26.232 52.463 0.287 7.82 6 84.3 89.7
54 4 -2 2 26.464 52.927 0.289 7.67 12 83.9 174.1
55 -4 2 2 26.541 53.082 0.29 7.62 6 83.7 86.2
56 4 3 0 26.9 53.799 0.294 7.39 12 0.0 0.0
57 5 0 0 27.014 54.028 0.295 7.32 6 0.0 0.0
58 4 -3 0 27.128 54.255 0.296 7.25 12 0.0 0.0
59 4 3 1 27.415 54.831 0.299 7.08 12 70.6 114.0
60 4 3 -1 27.547 55.094 0.3 7.0 12 70.5 112.2
61 5 1 0 27.547 55.094 0.3 7.0 12 70.5 112.2
62 5 -1 0 27.641 55.281 0.301 6.95 12 70.3 110.9
63 4 -3 1 27.697 55.393 0.302 6.91 12 70.3 110.2
64 -4 3 1 27.715 55.431 0.302 6.9 12 70.2 109.9
65 5 1 1 28.064 56.128 0.305 6.71 6 0.0 0.0
66 5 -1 1 28.175 56.35 0.306 6.65 12 0.0 0.0
67 -5 1 1 28.249 56.498 0.307 6.61 6 0.0 0.0
68 3 -3 3 28.249 56.498 0.307 6.61 6 0.0 0.0
69 4 3 2 29.053 58.105 0.315 6.21 12 0.0 0.0
70 5 2 0 29.197 58.395 0.317 6.14 12 0.0 0.0
71 4 3 -2 29.306 58.611 0.318 6.09 12 0.0 0.0
72 4 -3 2 29.378 58.755 0.318 6.05 12 0.0 0.0
73 5 -2 0 29.378 58.755 0.318 6.05 12 0.0 0.0
74 -4 3 2 29.414 58.827 0.319 6.03 12 0.0 0.0
75 5 2 1 29.687 59.373 0.321 5.91 12 9.0 1.5
76 5 2 -1 29.812 59.623 0.323 5.86 12 9.0 1.5
77 5 -2 1 29.901 59.802 0.324 5.82 12 9.0 1.5
78 -5 2 1 29.954 59.908 0.324 5.79 12 9.0 1.5
79 4 4 0 30.782 61.565 0.332 5.45 6 227.3 454.4
80 4 -4 0 31.062 62.123 0.335 5.34 6 226.2 441.1
81 1 4 4 31.248 62.496 0.337 5.27 6 0.0 0.0
82 5 2 2 31.248 62.496 0.337 5.27 6 0.0 0.0
83 -1 4 4 31.387 62.773 0.338 5.22 6 0.0 0.0
84 5 -2 2 31.49 62.981 0.339 5.18 12 0.0 0.0
85 -5 2 2 31.594 63.188 0.34 5.15 6 0.0 0.0
86 1 -4 4 31.594 63.188 0.34 5.15 12 0.0 0.0
87 4 3 3 31.701 63.402 0.341 5.11 6 65.4 35.3
88 5 3 0 31.856 63.712 0.343 5.06 12 65.2 69.5
89 4 -3 3 32.061 64.123 0.345 4.99 12 65.0 68.0
90 -4 3 3 32.113 64.226 0.345 4.97 6 65.0 33.8
91 5 -3 0 32.113 64.226 0.345 4.97 12 65.0 67.7
92 5 3 1 32.313 64.626 0.347 4.9 12 0.0 0.0
93 5 3 -1 32.449 64.898 0.348 4.86 12 0.0 0.0
94 5 -3 1 32.619 65.237 0.35 4.8 12 0.0 0.0
95 -5 3 1 32.652 65.305 0.35 4.79 12 0.0 0.0
96 2 4 4 32.758 65.516 0.351 4.76 6 18.1 2.5
97 -2 4 4 33.028 66.056 0.354 4.68 6 18.0 2.5
98 6 0 0 33.028 66.056 0.354 4.68 6 18.0 2.5
99 2 -4 4 33.162 66.325 0.355 4.64 12 18.0 4.8
100 6 1 0 33.493 66.986 0.358 4.54 12 0.0 0.0
101 6 -1 0 33.593 67.186 0.359 4.51 12 0.0 0.0
102 5 3 2 33.797 67.594 0.361 4.45 12 8.9 1.1
103 6 1 1 33.947 67.893 0.362 4.41 6 8.9 0.6
104 5 3 -2 34.063 68.126 0.364 4.38 12 8.9 1.1
105 6 -1 1 34.063 68.126 0.364 4.38 12 8.9 1.1
106 -6 1 1 34.146 68.291 0.364 4.36 6 8.9 0.6
107 5 -3 2 34.146 68.291 0.364 4.36 12 8.9 1.1
108 -5 3 2 34.212 68.424 0.365 4.34 12 8.9 1.1
109 6 2 0 34.968 69.937 0.372 4.15 12 70.5 66.5
110 6 -2 0 35.165 70.329 0.374 4.11 12 70.2 65.3
111 3 4 4 35.242 70.484 0.375 4.09 6 0.0 0.0
112 5 4 0 35.405 70.81 0.376 4.05 12 0.0 0.0
113 6 2 1 35.405 70.81 0.376 4.05 12 0.0 0.0
114 6 2 -1 35.535 71.071 0.377 4.02 12 0.0 0.0
115 -3 4 4 35.633 71.266 0.378 4.0 6 0.0 0.0
116 6 -2 1 35.633 71.266 0.378 4.0 12 0.0 0.0
117 -6 2 1 35.698 71.396 0.379 3.98 12 0.0 0.0
118 3 -4 4 35.698 71.396 0.379 3.98 12 0.0 0.0
119 5 -4 0 35.73 71.461 0.379 3.98 12 0.0 0.0
120 5 4 1 35.831 71.663 0.38 3.96 12 61.3 48.0
121 5 4 -1 35.977 71.954 0.381 3.92 12 61.2 47.4
122 5 -4 1 36.219 72.439 0.384 3.87 12 61.0 46.5
123 -5 4 1 36.236 72.471 0.384 3.87 12 60.9 46.4
124 5 3 3 36.247 72.495 0.384 3.87 6 0.0 0.0
125 5 -3 3 36.634 73.267 0.387 3.79 12 0.0 0.0
126 -5 3 3 36.73 73.46 0.388 3.77 6 0.0 0.0
127 6 2 2 36.83 73.66 0.389 3.75 6 155.7 146.8
128 6 -2 2 37.086 74.172 0.391 3.7 12 155.2 288.0
129 -6 2 2 37.214 74.428 0.393 3.68 6 155.0 142.7
130 5 4 2 37.242 74.483 0.393 3.68 12 0.0 0.0
131 6 3 0 37.401 74.803 0.394 3.65 12 0.0 0.0
132 5 4 -2 37.529 75.057 0.395 3.62 12 0.0 0.0
133 5 -4 2 37.688 75.376 0.397 3.6 12 0.0 0.0
134 6 -3 0 37.688 75.376 0.397 3.6 12 0.0 0.0
135 -5 4 2 37.72 75.439 0.397 3.59 12 0.0 0.0
136 6 3 1 37.819 75.637 0.398 3.57 12 9.1 1.0
137 6 3 -1 37.962 75.923 0.399 3.55 12 9.1 1.0
138 6 -3 1 38.152 76.303 0.401 3.52 12 9.1 0.9
139 -6 3 1 38.199 76.398 0.401 3.51 12 9.1 0.9
140 4 4 4 38.625 77.25 0.405 3.44 2 202.3 75.8
141 4 -4 4 39.129 78.258 0.41 3.37 6 201.0 219.8
142 6 3 2 39.203 78.407 0.41 3.36 12 0.0 0.0
143 6 3 -2 39.486 78.972 0.413 3.32 12 0.0 0.0
144 7 0 0 39.486 78.972 0.413 3.32 6 0.0 0.0
145 6 -3 2 39.58 79.16 0.414 3.31 12 0.0 0.0
146 5 4 3 39.599 79.198 0.414 3.31 12 58.2 36.1
147 -6 3 2 39.674 79.348 0.414 3.3 12 0.0 0.0
148 5 5 0 39.771 79.543 0.415 3.28 6 58.1 17.9
149 7 1 0 39.912 79.824 0.416 3.27 12 58.0 35.4
150 5 4 -3 40.021 80.043 0.417 3.25 12 57.9 35.2
151 7 -1 0 40.021 80.043 0.417 3.25 12 57.9 35.2
152 5 -4 3 40.1 80.199 0.418 3.24 12 57.8 35.0
153 -5 4 3 40.146 80.293 0.419 3.24 12 57.8 34.9
154 5 -5 0 40.162 80.324 0.419 3.23 6 57.8 17.4
155 1 5 5 40.173 80.347 0.419 3.23 6 0.0 0.0
156 -1 5 5 40.329 80.659 0.42 3.21 6 0.0 0.0
157 7 1 1 40.329 80.659 0.42 3.21 6 0.0 0.0
158 7 -1 1 40.454 80.908 0.421 3.2 12 0.0 0.0
159 -7 1 1 40.548 81.095 0.422 3.19 6 0.0 0.0
160 1 -5 5 40.641 81.282 0.423 3.18 12 0.0 0.0
161 6 4 0 40.738 81.476 0.424 3.17 12 15.8 2.6
162 6 -4 0 41.111 82.222 0.427 3.13 12 15.8 2.5
163 6 4 1 41.138 82.275 0.427 3.12 12 0.0 0.0
164 6 4 -1 41.293 82.586 0.428 3.11 12 0.0 0.0
165 7 2 0 41.293 82.586 0.428 3.11 12 0.0 0.0
166 7 -2 0 41.51 83.02 0.43 3.09 12 0.0 0.0
167 2 5 5 41.529 83.058 0.43 3.08 6 9.4 0.4
168 6 3 3 41.529 83.058 0.43 3.08 6 9.4 0.4
169 6 -4 1 41.572 83.144 0.431 3.08 12 0.0 0.0
170 -6 4 1 41.603 83.206 0.431 3.08 12 0.0 0.0
171 7 2 1 41.7 83.399 0.432 3.07 12 9.4 0.9
172 -2 5 5 41.839 83.678 0.433 3.05 6 9.4 0.4
173 7 2 -1 41.839 83.678 0.433 3.05 12 9.4 0.9
174 6 -3 3 41.947 83.895 0.434 3.04 12 9.4 0.9
175 7 -2 1 41.947 83.895 0.434 3.04 12 9.4 0.9
176 -7 2 1 42.025 84.049 0.435 3.04 12 9.4 0.9
177 2 -5 5 42.071 84.142 0.435 3.03 12 9.4 0.9
178 -6 3 3 42.087 84.173 0.435 3.03 6 9.4 0.4
179 6 4 2 42.488 84.975 0.438 3.0 12 62.2 37.4
180 6 4 -2 42.796 85.593 0.441 2.97 12 61.9 36.8
181 5 4 4 42.869 85.739 0.442 2.96 6 0.0 0.0
182 6 -4 2 42.982 85.963 0.443 2.96 12 61.8 36.4
183 -6 4 2 43.043 86.087 0.443 2.95 12 61.7 36.3
184 7 2 2 43.055 86.109 0.443 2.95 6 0.0 0.0
185 7 -2 2 43.332 86.664 0.445 2.93 12 0.0 0.0
186 5 -4 4 43.425 86.849 0.446 2.92 12 0.0 0.0
187 -7 2 2 43.486 86.972 0.447 2.92 6 0.0 0.0
188 -5 4 4 43.486 86.972 0.447 2.92 6 0.0 0.0
189 7 3 0 43.613 87.226 0.448 2.91 12 55.4 28.8
190 3 5 5 43.824 87.649 0.449 2.9 6 0.0 0.0
191 7 -3 0 43.936 87.873 0.45 2.89 12 55.2 28.4
192 7 3 1 44.009 88.018 0.451 2.88 12 0.0 0.0
193 7 3 -1 44.163 88.326 0.452 2.87 12 0.0 0.0
194 -3 5 5 44.286 88.573 0.453 2.87 6 0.0 0.0
195 7 -3 1 44.379 88.757 0.454 2.86 12 0.0 0.0
196 -7 3 1 44.44 88.88 0.454 2.86 12 0.0 0.0
197 3 -5 5 44.44 88.88 0.454 2.86 12 0.0 0.0
198 6 4 3 44.778 89.556 0.457 2.84 12 0.0 0.0
199 6 5 0 44.963 89.925 0.459 2.83 12 0.0 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 1 1 0 7.351 14.702 6.02041 2321.8 100.0 100.0 5.6
2 1 -1 0 7.411 14.822 5.97162 2278.3 98.1 98.1 5.6
3 2 0 0 10.468 20.935 4.23972 82.5 3.6 3.5 5.6
4 2 -1 1 12.874 25.749 3.45703 29.7 1.3 1.3 5.6
5 2 2 0 14.826 29.653 3.0102 511.2 22.0 21.8 5.6
6 2 -2 0 14.95 29.9 2.98581 499.8 21.5 21.3 5.6
7 3 1 0 16.652 33.305 2.688 554.2 23.9 23.5 5.6
8 3 -1 0 16.736 33.472 2.67491 546.0 23.5 23.2 5.7
9 2 2 2 18.187 36.373 2.46796 476.6 20.5 20.2 5.7
10 2 -2 2 18.393 36.786 2.44119 1380.1 59.4 58.4 5.7
11 4 0 0 21.307 42.614 2.11986 1537.1 66.2 64.7 5.7
12 3 3 0 22.571 45.143 2.0068 216.0 9.3 9.1 5.7
13 4 -1 1 22.68 45.359 1.99772 212.7 9.2 8.9 5.7
14 -4 1 1 22.745 45.489 1.99233 210.4 9.1 8.8 5.7
15 4 2 2 26.232 52.463 1.74271 89.7 3.9 3.7 5.8
16 4 -2 2 26.464 52.927 1.72851 174.1 7.5 7.2 5.8
17 -4 2 2 26.541 53.082 1.72386 86.2 3.7 3.6 5.8
18 4 3 1 27.415 54.831 1.67293 114.0 4.9 4.7 5.8
19 4 3 -1 27.547 55.094 1.66556 224.4 9.7 9.3 5.8
20 5 -1 0 27.641 55.281 1.66036 110.9 4.8 4.6 5.8
21 4 -3 1 27.697 55.393 1.65726 220.1 9.5 9.1 5.8
22 4 4 0 30.782 61.565 1.5051 454.4 19.6 18.7 5.8
23 4 -4 0 31.062 62.123 1.49291 441.1 19.0 18.1 5.8
24 4 3 3 31.701 63.402 1.46583 35.3 1.5 1.4 5.9
25 5 3 0 31.856 63.712 1.45946 69.5 3.0 2.8 5.9
26 4 -3 3 32.061 64.123 1.45109 68.0 2.9 2.8 5.9
27 5 -3 0 32.113 64.226 1.44902 101.5 4.4 4.2 5.9
28 6 2 0 34.968 69.937 1.344 66.5 2.9 2.7 5.9
29 6 -2 0 35.165 70.329 1.33746 65.3 2.8 2.6 5.9
30 5 4 1 35.831 71.663 1.31582 48.0 2.1 1.9 5.9
31 5 4 -1 35.977 71.954 1.3112 47.4 2.0 1.9 5.9
32 5 -4 1 36.219 72.439 1.30362 92.9 4.0 3.7 5.9
33 6 2 2 36.83 73.66 1.28499 146.8 6.3 5.9 6.0
34 6 -2 2 37.086 74.172 1.27738 288.0 12.4 11.6 6.0
35 -6 2 2 37.214 74.428 1.27362 142.7 6.1 5.7 6.0
36 4 4 4 38.625 77.25 1.23398 75.8 3.3 3.0 6.0
37 4 -4 4 39.129 78.258 1.22059 219.8 9.5 8.8 6.0
38 5 4 3 39.599 79.198 1.20845 36.1 1.6 1.4 6.0
39 7 1 0 39.912 79.824 1.20054 35.4 1.5 1.4 6.0
40 5 4 -3 40.021 80.043 1.19781 70.3 3.0 2.8 6.0
41 5 -4 3 40.1 80.199 1.19587 35.0 1.5 1.4 6.0
42 -5 4 3 40.146 80.293 1.19471 52.3 2.3 2.1 6.0
43 6 4 2 42.488 84.975 1.14043 37.4 1.6 1.5 6.1
44 6 4 -2 42.796 85.593 1.13377 36.8 1.6 1.4 6.1
45 6 -4 2 42.982 85.963 1.12983 36.4 1.6 1.4 6.1
46 -6 4 2 43.043 86.087 1.12853 36.3 1.6 1.4 6.1
47 7 3 0 43.613 87.226 1.1167 28.8 1.2 1.1 6.2
48 7 -3 0 43.936 87.873 1.11014 28.4 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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