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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DRUGMANITE
1
Pb(2)[Fe(0.78)Al(0.22)]H[PO(4)](2)(OH)(2)
Monoclinic P 2(1)/a Z = 2
R =0.049 NR =723
5 .4 .1996
Ref.Str.:
King G.S.D., Sengier-Roberts L. (1988)
* Bull. Mineral., 111, 431-437
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.111 alpha = 90.0
b = 7.986 beta = 90.41
c = 4.643 gamma = 90.0
Unit cell volume (cub. angs.) = 411.97
Molar volume ( cub.cm/mol.) = 124.07
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.314 0.0964 0.9916 0.0 Pb = 1.00
2 0.5 0.5 0.0 0.0 Fe = 0.78, Al = 0.22
3 0.5 0.5 0.5 0.0 H = 1.00
4 0.6044 0.2567 0.4838 0.0 P = 1.00
5 0.573 0.085 0.624 0.0 O = 1.00
6 0.505 0.301 0.271 0.0 O = 1.00
7 0.729 0.243 0.341 0.0 O = 1.00
8 0.615 0.385 0.737 0.0 O = 1.00
9 0.353 0.407 0.833 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.314 0.0964 0.9916
2 2 0.5 0.5 0.0
3 3 0.5 0.5 0.5
4 4 0.6044 0.2567 0.4838
5 5 0.573 0.085 0.624
6 6 0.505 0.301 0.271
7 7 0.729 0.243 0.341
8 8 0.615 0.385 0.737
9 9 0.353 0.407 0.833
10 1 0.686 0.9036 0.0084
11 4 0.3956 0.7433 0.5162
12 5 0.427 0.915 0.376
13 6 0.495 0.699 0.729
14 7 0.271 0.757 0.659
15 8 0.385 0.615 0.263
16 9 0.647 0.593 0.167
17 1 0.814 0.4036 0.9916
18 2 0.0 0.0 0.0
19 3 0.0 0.0 0.5
20 4 0.1044 0.2433 0.4838
21 5 0.073 0.415 0.624
22 6 0.005 0.199 0.271
23 7 0.229 0.257 0.341
24 8 0.115 0.115 0.737
25 9 0.853 0.093 0.833
26 1 0.186 0.5964 0.0084
27 4 0.8956 0.7567 0.5162
28 5 0.927 0.585 0.376
29 6 0.995 0.801 0.729
30 7 0.771 0.743 0.659
31 8 0.885 0.885 0.263
32 9 0.147 0.907 0.167
X-ray density (g/cm cub.) = 5.54
MU (1/cm) = 937.045 Mass attenuation coefficient (cm**2/g) = 169.292
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.144 6
2.9695 6
2.6243 9
2.6133 5
2.2777 7
2.5038 8
2.5326 9
2 Fe ,Al 2.592 6
2.0275 6
1.9974 8
1.95 9
2.0275 6
1.9974 8
1.95 9
3 H 1.632 0
4 P 2.232 4
1.5585 5
1.5184 6
1.5432 7
1.5633 8
5 O 3.264 6
2.493 6
2.521 7
2.4959 8
2.4029 5
3.2399 6
3.2529 9
6 O 3.264 10
2.493 5
2.5501 7
2.5666 8
2.8521 8
3.2312 9
2.7668 9
3.2399 5
2.8402 8
2.8585 9
3.1061 7
7 O 3.264 7
2.521 5
2.5501 6
2.5108 8
3.0471 9
3.1061 6
2.9166 9
2.9905 9
8 O 3.264 8
2.4959 5
2.8521 6
2.5666 6
2.5108 7
2.9534 9
2.8402 6
2.6194 9
3.1469 9
9 O 3.264 10
2.7668 6
3.2312 6
2.9534 8
2.8585 6
3.0471 7
2.6194 8
3.1469 8
3.2529 5
2.9905 7
2.9166 7
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 1 0 6.822 13.644 0.077 138.79 4 32.0 335.6
2 2 0 0 7.97 15.94 0.09 101.08 2 133.0 2107.6
3 0 0 1 9.55 19.1 0.108 69.74 2 246.6 4996.2
4 2 1 0 9.724 19.448 0.11 67.18 4 43.2 295.9
5 0 1 1 11.064 22.128 0.125 51.41 4 4.6 2.6
6 0 2 0 11.123 22.245 0.125 50.85 2 67.1 270.1
7 1 1 -1 11.75 23.5 0.132 45.34 4 38.2 156.1
8 1 1 1 11.797 23.594 0.133 44.97 4 33.8 120.9
9 1 2 0 11.829 23.657 0.133 44.71 4 230.3 5588.0
10 2 0 -1 12.442 24.884 0.14 40.21 2 171.0 1385.1
11 2 0 1 12.532 25.063 0.141 39.61 2 178.4 1485.1
12 3 1 0 13.254 26.507 0.149 35.2 4 222.3 4100.2
13 2 1 -1 13.654 27.308 0.153 33.05 4 183.2 2614.3
14 2 1 1 13.736 27.472 0.154 32.63 4 171.3 2255.5
15 2 2 0 13.743 27.486 0.154 32.6 4 31.6 76.5
16 0 2 1 14.74 29.48 0.165 28.08 4 187.2 2319.3
17 1 2 -1 15.272 30.544 0.171 26.02 4 223.0 3050.2
18 1 2 1 15.309 30.618 0.171 25.89 4 229.5 3213.0
19 4 0 0 16.1 32.2 0.18 23.23 2 17.5 8.4
20 3 1 -1 16.387 32.773 0.183 22.35 4 241.6 3074.9
21 3 2 0 16.48 32.959 0.184 22.08 4 90.5 426.6
22 3 1 1 16.491 32.982 0.184 22.05 4 218.5 2480.1
23 2 2 -1 16.81 33.62 0.188 21.15 4 44.3 98.0
24 2 2 1 16.878 33.756 0.188 20.97 4 27.0 36.0
25 4 1 0 17.074 34.148 0.191 20.45 4 183.7 1625.6
26 1 3 0 17.311 34.621 0.193 19.84 4 25.7 30.9
27 2 3 0 18.715 37.431 0.208 16.72 4 210.7 1749.0
28 4 0 -1 18.792 37.584 0.209 16.57 2 6.3 0.8
29 4 0 1 18.915 37.83 0.21 16.33 2 90.3 156.8
30 3 2 -1 19.14 38.28 0.213 15.91 4 113.8 485.7
31 3 2 1 19.231 38.462 0.214 15.75 4 48.5 87.4
32 0 0 2 19.379 38.757 0.215 15.48 2 264.8 1279.5
33 0 3 1 19.484 38.969 0.217 15.3 4 98.6 350.7
34 4 1 -1 19.649 39.298 0.218 15.01 4 67.7 162.4
35 4 2 0 19.743 39.487 0.219 14.86 4 17.9 11.2
36 4 1 1 19.768 39.536 0.22 14.82 4 180.8 1141.2
37 1 3 -1 19.903 39.807 0.221 14.59 4 70.2 169.6
38 1 3 1 19.933 39.866 0.221 14.54 4 51.3 90.2
39 0 1 2 20.215 40.43 0.224 14.1 4 44.6 66.0
40 1 1 -2 20.608 41.215 0.228 13.5 4 82.4 215.9
41 1 1 2 20.665 41.329 0.229 13.42 4 55.3 96.6
42 3 3 0 20.876 41.753 0.231 13.12 4 29.8 27.5
43 2 0 -2 21.02 42.041 0.233 12.92 2 97.5 144.7
44 5 1 0 21.088 42.177 0.234 12.83 4 151.5 693.9
45 2 0 2 21.133 42.266 0.234 12.77 2 182.0 498.0
46 2 3 -1 21.147 42.294 0.234 12.75 4 161.1 779.5
47 2 3 1 21.203 42.406 0.235 12.67 4 147.9 653.5
48 2 1 -2 21.805 43.609 0.241 11.9 4 103.8 302.0
49 2 1 2 21.914 43.827 0.242 11.77 4 44.1 54.0
50 4 2 -1 22.054 44.107 0.244 11.6 4 7.2 1.4
51 4 2 1 22.162 44.324 0.245 11.47 4 14.1 5.4
52 0 2 2 22.57 45.14 0.249 11.01 4 96.0 239.2
53 0 4 0 22.694 45.389 0.25 10.87 2 131.3 221.0
54 1 2 -2 22.93 45.859 0.253 10.62 4 220.4 1216.1
55 1 2 2 22.982 45.964 0.253 10.57 4 188.2 882.0
56 1 4 0 23.079 46.157 0.254 10.47 4 130.2 417.9
57 3 3 -1 23.107 46.214 0.255 10.44 4 21.3 11.1
58 3 3 1 23.185 46.371 0.256 10.36 4 26.0 16.5
59 5 1 -1 23.277 46.554 0.257 10.27 4 149.8 542.9
60 5 2 0 23.372 46.744 0.258 10.17 4 99.3 236.2
61 5 1 1 23.407 46.813 0.258 10.14 4 161.8 625.6
62 4 3 0 23.627 47.255 0.26 9.93 4 253.7 1505.3
63 3 1 -2 23.709 47.417 0.261 9.85 4 219.9 1121.9
64 3 1 2 23.862 47.724 0.263 9.71 4 224.9 1157.3
65 2 2 -2 24.034 48.068 0.264 9.55 4 3.0 0.2
66 2 2 2 24.135 48.271 0.265 9.46 4 60.5 81.6
67 2 4 0 24.203 48.406 0.266 9.4 4 147.6 482.2
68 6 0 0 24.58 49.16 0.27 9.07 2 175.7 330.1
69 0 4 1 24.833 49.666 0.273 8.86 4 193.5 782.3
70 1 4 -1 25.18 50.36 0.276 8.59 4 158.2 506.5
71 1 4 1 25.205 50.409 0.276 8.57 4 129.2 336.9
72 6 1 0 25.277 50.555 0.277 8.51 4 100.5 202.8
73 5 2 -1 25.406 50.813 0.278 8.42 4 104.5 216.6
74 4 0 -2 25.525 51.051 0.28 8.33 2 19.6 3.8
75 5 2 1 25.528 51.056 0.28 8.32 4 45.7 40.9
76 4 3 -1 25.659 51.317 0.281 8.23 4 220.4 942.2
77 4 0 2 25.719 51.438 0.282 8.18 2 2.2 0.0
78 4 3 1 25.755 51.51 0.282 8.16 4 242.3 1129.0
79 3 2 -2 25.811 51.623 0.283 8.12 4 71.8 98.6
80 3 2 2 25.955 51.911 0.284 8.02 4 103.5 202.3
81 3 4 0 25.996 51.991 0.285 7.99 4 80.1 120.7
82 0 3 2 26.12 52.241 0.286 7.9 4 6.9 0.9
83 4 1 -2 26.204 52.409 0.287 7.84 4 153.3 434.4
84 2 4 -1 26.225 52.45 0.287 7.83 4 166.6 512.4
85 2 4 1 26.273 52.545 0.287 7.8 4 141.2 366.4
86 4 1 2 26.394 52.788 0.289 7.72 4 137.0 341.1
87 1 3 -2 26.444 52.887 0.289 7.68 4 70.4 89.8
88 1 3 2 26.491 52.982 0.29 7.65 4 68.0 83.5
89 6 0 -1 26.534 53.068 0.29 7.62 2 267.3 641.8
90 6 0 1 26.675 53.35 0.291 7.53 2 226.5 455.5
91 5 3 0 26.843 53.685 0.293 7.42 4 80.5 113.5
92 6 1 -1 27.195 54.39 0.297 7.21 4 68.4 79.4
93 6 2 0 27.292 54.583 0.298 7.15 4 108.8 199.3
94 6 1 1 27.334 54.668 0.298 7.12 4 65.0 70.9
95 2 3 -2 27.443 54.886 0.299 7.06 4 215.1 770.0
96 2 3 2 27.535 55.07 0.3 7.01 4 174.6 503.4
97 3 4 -1 27.913 55.825 0.304 6.79 4 29.1 13.6
98 3 4 1 27.981 55.962 0.305 6.76 4 48.7 37.8
99 4 2 -2 28.172 56.344 0.306 6.65 4 71.2 79.5
100 4 2 2 28.353 56.706 0.308 6.56 4 84.9 111.5
101 4 4 0 28.368 56.736 0.308 6.55 4 49.4 37.6
102 5 3 -1 28.698 57.397 0.312 6.38 4 69.1 71.9
103 5 3 1 28.81 57.62 0.313 6.32 4 76.3 86.7
104 3 3 -2 29.071 58.143 0.315 6.2 4 15.5 3.5
105 6 2 -1 29.117 58.235 0.316 6.17 4 53.4 41.5
106 1 5 0 29.158 58.317 0.316 6.15 4 128.3 238.9
107 5 1 -2 29.194 58.387 0.317 6.14 4 146.1 308.9
108 3 3 2 29.204 58.409 0.317 6.13 4 14.0 2.8
109 6 2 1 29.25 58.5 0.317 6.11 4 73.8 78.4
110 5 1 2 29.415 58.829 0.319 6.03 4 118.4 199.3
111 7 1 0 29.656 59.311 0.321 5.92 4 121.4 205.9
112 0 0 3 29.849 59.698 0.323 5.84 2 232.1 370.6
113 2 5 0 30.12 60.239 0.326 5.72 4 14.0 2.7
114 4 4 -1 30.173 60.346 0.326 5.7 4 74.2 73.9
115 4 4 1 30.26 60.52 0.327 5.66 4 37.0 18.2
116 6 3 0 30.445 60.89 0.329 5.59 4 126.1 209.2
117 0 1 3 30.463 60.925 0.329 5.58 4 16.2 3.4
118 0 4 2 30.589 61.178 0.33 5.53 4 95.0 117.6
119 0 5 1 30.664 61.329 0.331 5.5 4 13.1 2.2
120 1 1 -3 30.745 61.489 0.332 5.47 4 71.2 65.4
121 1 1 3 30.809 61.618 0.332 5.44 4 41.8 22.5
122 1 4 -2 30.881 61.762 0.333 5.41 4 135.6 234.4
123 1 4 2 30.924 61.847 0.334 5.4 4 123.1 192.6
124 1 5 -1 30.967 61.933 0.334 5.38 4 94.3 112.7
125 1 5 1 30.988 61.976 0.334 5.37 4 87.8 97.5
126 5 2 -2 31.036 62.073 0.335 5.35 4 113.8 163.3
127 2 0 -3 31.045 62.09 0.335 5.35 2 89.9 51.0
128 2 0 3 31.173 62.346 0.336 5.3 2 169.4 179.4
129 5 4 0 31.243 62.485 0.337 5.28 4 60.5 45.6
130 5 2 2 31.249 62.499 0.337 5.27 4 61.7 47.3
131 4 3 -2 31.269 62.537 0.337 5.27 4 171.1 363.2
132 7 1 -1 31.383 62.766 0.338 5.22 4 83.0 84.9
133 4 3 2 31.438 62.877 0.339 5.2 4 197.6 478.6
134 7 2 0 31.482 62.964 0.339 5.19 4 176.7 382.0
135 7 1 1 31.531 63.062 0.339 5.17 4 75.0 68.5
136 2 1 -3 31.645 63.29 0.341 5.13 4 99.6 119.9
137 3 5 0 31.682 63.364 0.341 5.12 4 138.3 230.7
138 2 1 3 31.772 63.543 0.342 5.08 4 101.2 122.6
139 2 4 -2 31.79 63.579 0.342 5.08 4 109.9 144.7
140 2 4 2 31.874 63.747 0.343 5.05 4 187.7 419.5
141 2 5 -1 31.884 63.769 0.343 5.05 4 44.3 23.3
142 2 5 1 31.927 63.853 0.343 5.03 4 67.1 53.3
143 6 0 -2 32.021 64.043 0.344 5.0 2 157.6 146.4
144 6 3 -1 32.158 64.316 0.345 4.95 4 154.4 278.3
145 0 2 3 32.262 64.524 0.346 4.92 4 112.5 146.7
146 6 0 2 32.273 64.545 0.347 4.91 2 147.6 126.2
147 6 3 1 32.283 64.567 0.347 4.91 4 155.6 280.2
148 1 2 -3 32.535 65.07 0.349 4.83 4 164.8 309.1
149 1 2 3 32.598 65.195 0.35 4.81 4 211.5 507.0
150 6 1 -2 32.611 65.223 0.35 4.81 4 93.4 98.7
151 6 1 2 32.86 65.72 0.352 4.73 4 115.7 149.2
152 5 4 -1 32.942 65.885 0.353 4.7 4 43.2 20.6
153 5 4 1 33.046 66.091 0.354 4.67 4 55.6 34.1
154 3 1 -3 33.136 66.272 0.355 4.64 4 222.7 542.9
155 7 2 -1 33.154 66.309 0.355 4.64 4 208.0 473.1
156 3 4 -2 33.287 66.574 0.356 4.6 4 49.3 26.3
157 7 2 1 33.298 66.597 0.356 4.6 4 170.4 314.4
158 3 1 3 33.321 66.642 0.357 4.59 4 168.9 308.5
159 3 5 -1 33.39 66.78 0.357 4.57 4 169.7 310.2
160 2 2 -3 33.409 66.818 0.357 4.56 4 8.4 0.8
161 3 4 2 33.41 66.821 0.357 4.56 4 57.8 35.9
162 3 5 1 33.452 66.903 0.358 4.55 4 165.1 292.5
163 2 2 3 33.532 67.064 0.359 4.53 4 2.0 0.0
164 8 0 0 33.685 67.369 0.36 4.49 2 141.9 106.4
165 4 5 0 33.801 67.602 0.361 4.45 4 38.7 15.7
166 5 3 -2 33.978 67.956 0.363 4.4 4 78.6 64.2
167 5 3 2 34.181 68.362 0.365 4.35 4 78.8 63.7
168 8 1 0 34.26 68.52 0.365 4.33 4 59.8 36.5
169 6 2 -2 34.349 68.699 0.366 4.31 4 115.6 135.6
170 7 3 0 34.403 68.806 0.367 4.29 4 8.6 0.7
171 6 4 0 34.565 69.131 0.368 4.25 4 115.6 133.9
172 6 2 2 34.592 69.184 0.369 4.24 4 97.7 95.5
173 4 0 -3 34.612 69.225 0.369 4.24 2 29.6 4.4
174 4 0 3 34.854 69.708 0.371 4.18 2 101.9 51.1
175 3 2 -3 34.861 69.722 0.371 4.18 4 28.9 8.2
176 3 2 3 35.042 70.083 0.373 4.13 4 112.1 122.4
177 0 3 3 35.15 70.3 0.374 4.11 4 34.9 11.8
178 4 1 -3 35.18 70.361 0.374 4.1 4 121.0 141.6
179 8 0 -1 35.294 70.587 0.375 4.08 2 181.2 157.6
180 4 4 -2 35.337 70.675 0.375 4.07 4 5.4 0.3
181 0 6 0 35.361 70.722 0.376 4.06 2 227.1 246.8
182 1 3 -3 35.412 70.824 0.376 4.05 4 45.0 19.3
183 4 1 3 35.42 70.841 0.376 4.05 4 71.7 49.1
184 4 5 -1 35.448 70.895 0.376 4.04 4 4.2 0.2
185 8 0 1 35.453 70.907 0.377 4.04 2 206.2 202.4
186 1 3 3 35.472 70.944 0.377 4.03 4 40.4 15.5
187 4 4 2 35.497 70.994 0.377 4.03 4 36.8 12.8
188 4 5 1 35.527 71.055 0.377 4.02 4 11.4 1.2
189 1 6 0 35.652 71.304 0.378 3.99 4 91.9 79.5
190 0 5 2 35.831 71.661 0.38 3.96 4 17.7 2.9
191 8 1 -1 35.857 71.714 0.38 3.95 4 5.5 0.3
192 8 2 0 35.959 71.919 0.381 3.93 4 82.0 62.3
193 7 3 -1 36.007 72.015 0.382 3.92 4 0.8 0.0
194 8 1 1 36.016 72.031 0.382 3.92 4 42.8 16.9
195 1 5 -2 36.1 72.201 0.382 3.9 4 125.3 144.1
196 1 5 2 36.14 72.28 0.383 3.89 4 92.4 78.2
197 7 3 1 36.146 72.292 0.383 3.89 4 15.6 2.2
198 6 4 -1 36.176 72.352 0.383 3.88 4 77.0 54.3
199 2 3 -3 36.253 72.505 0.384 3.87 4 116.8 124.4
200 6 4 1 36.295 72.59 0.384 3.86 4 69.1 43.4
201 2 3 3 36.371 72.742 0.385 3.84 4 70.1 44.5
202 7 1 -2 36.428 72.855 0.385 3.83 4 49.6 22.2
203 5 5 0 36.436 72.871 0.386 3.83 4 215.8 420.4
204 2 6 0 36.52 73.04 0.386 3.81 4 152.0 207.5
205 7 1 2 36.704 73.407 0.388 3.78 4 81.2 58.7
206 4 2 -3 36.862 73.723 0.389 3.75 4 35.3 11.0
207 2 5 -2 36.944 73.889 0.39 3.73 4 3.9 0.1
208 0 6 1 37.016 74.031 0.391 3.72 4 115.2 116.3
209 2 5 2 37.023 74.046 0.391 3.72 4 33.7 10.0
210 4 2 3 37.097 74.194 0.392 3.7 4 0.0 0.0
211 6 3 -2 37.161 74.322 0.392 3.69 4 52.1 23.6
212 1 6 -1 37.292 74.584 0.393 3.67 4 109.4 103.4
213 1 6 1 37.312 74.623 0.393 3.66 4 68.6 40.6
214 6 3 2 37.396 74.791 0.394 3.65 4 143.4 176.9
215 8 2 -1 37.526 75.052 0.395 3.62 4 6.3 0.3
216 3 3 -3 37.656 75.313 0.397 3.6 4 38.7 12.7
217 8 2 1 37.682 75.364 0.397 3.6 4 38.7 12.7
218 5 1 -3 37.744 75.489 0.397 3.59 4 106.8 96.4
219 3 3 3 37.832 75.663 0.398 3.57 4 20.6 3.6
220 5 4 -2 37.907 75.814 0.399 3.56 4 77.5 50.4
221 3 6 0 37.949 75.898 0.399 3.55 4 38.2 12.2
222 5 5 -1 38.024 76.048 0.4 3.54 4 208.7 363.2
223 5 1 3 38.036 76.072 0.4 3.54 4 130.5 141.9
224 7 2 -2 38.087 76.175 0.4 3.53 4 191.5 305.2
225 5 4 2 38.101 76.203 0.401 3.53 4 36.6 11.1
226 5 5 1 38.121 76.242 0.401 3.52 4 217.9 394.5
227 2 6 -1 38.136 76.272 0.401 3.52 4 142.5 168.4
228 2 6 1 38.175 76.349 0.401 3.52 4 162.9 219.7
229 7 4 0 38.314 76.628 0.402 3.49 4 122.1 122.7
230 3 5 -2 38.349 76.697 0.403 3.49 4 192.9 305.8
231 7 2 2 38.359 76.718 0.403 3.49 4 176.7 256.5
232 3 5 2 38.465 76.93 0.404 3.47 4 181.2 268.4
233 8 3 0 38.724 77.448 0.406 3.43 4 0.2 0.0
234 0 4 3 39.031 78.062 0.409 3.38 4 140.4 157.2
235 9 1 0 39.151 78.301 0.41 3.37 4 111.6 98.8
236 1 4 -3 39.283 78.567 0.411 3.35 4 101.4 81.2
237 1 4 3 39.341 78.682 0.411 3.34 4 153.1 184.6
238 5 2 -3 39.385 78.77 0.412 3.34 4 98.8 76.8
239 3 6 -1 39.536 79.071 0.413 3.31 4 19.0 2.8
240 6 5 0 39.559 79.119 0.413 3.31 4 19.4 2.9
241 3 6 1 39.593 79.187 0.414 3.31 4 32.1 8.0
242 4 3 -3 39.604 79.208 0.414 3.31 4 204.0 324.2
243 5 2 3 39.673 79.346 0.414 3.3 4 90.8 64.0
244 4 3 3 39.834 79.669 0.416 3.28 4 217.1 363.7
245 7 4 -1 39.858 79.716 0.416 3.27 4 146.4 165.3
246 4 6 0 39.921 79.842 0.417 3.26 4 65.6 33.1
247 7 4 1 39.992 79.984 0.417 3.26 4 87.4 58.6
248 2 4 -3 40.095 80.19 0.418 3.24 4 85.9 56.4
249 8 0 -2 40.11 80.22 0.418 3.24 2 164.8 103.8
250 2 4 3 40.21 80.42 0.419 3.23 4 115.4 101.3
251 8 3 -1 40.254 80.508 0.419 3.22 4 37.0 10.4
252 6 0 -3 40.268 80.536 0.42 3.22 2 164.9 103.2
253 4 5 -2 40.296 80.592 0.42 3.22 4 41.5 13.1
254 8 3 1 40.407 80.814 0.421 3.21 4 54.1 22.1
255 8 0 2 40.416 80.832 0.421 3.2 2 199.1 149.7
256 4 5 2 40.449 80.898 0.421 3.2 4 37.2 10.4
257 6 0 3 40.612 81.224 0.423 3.18 2 165.3 102.5
258 8 1 -2 40.65 81.3 0.423 3.18 4 19.9 3.0
259 9 1 -1 40.667 81.334 0.423 3.18 4 94.6 67.0
260 9 2 0 40.775 81.55 0.424 3.16 4 159.9 190.5
261 7 3 -2 40.804 81.609 0.424 3.16 4 25.9 5.0
262 6 1 -3 40.808 81.615 0.424 3.16 4 18.6 2.6
263 9 1 1 40.838 81.677 0.424 3.16 4 78.4 45.7
264 8 1 2 40.955 81.911 0.425 3.14 4 31.6 7.4
265 6 4 -2 40.976 81.953 0.426 3.14 4 116.8 100.9
266 7 3 2 41.071 82.142 0.426 3.13 4 13.9 1.4
267 6 5 -1 41.1 82.201 0.427 3.13 4 11.5 1.0
268 6 1 3 41.151 82.301 0.427 3.12 4 76.6 43.2
269 6 4 2 41.205 82.41 0.428 3.12 4 97.9 70.4
270 6 5 1 41.215 82.429 0.428 3.12 4 8.5 0.5
271 3 4 -3 41.459 82.918 0.43 3.09 4 37.1 10.0
272 4 6 -1 41.478 82.956 0.43 3.09 4 34.8 8.8
273 4 6 1 41.554 83.108 0.431 3.08 4 17.2 2.1
274 0 0 4 41.577 83.153 0.431 3.08 2 234.5 199.5
275 3 4 3 41.63 83.26 0.431 3.07 4 53.8 21.0
276 0 6 2 41.843 83.687 0.433 3.05 4 165.1 196.2
277 5 3 -3 42.081 84.162 0.435 3.03 4 59.0 24.8
278 1 6 -2 42.101 84.203 0.435 3.03 4 66.7 31.8
279 0 1 4 42.113 84.226 0.435 3.03 4 17.8 2.3
280 1 6 2 42.139 84.279 0.436 3.03 4 78.4 43.8
281 8 2 -2 42.262 84.524 0.437 3.01 4 64.0 29.1
282 9 2 -1 42.278 84.557 0.437 3.01 4 159.6 181.0
283 1 1 -4 42.352 84.704 0.437 3.01 4 61.7 27.0
284 5 3 3 42.365 84.73 0.437 3.01 4 56.6 22.7
285 6 2 -3 42.418 84.836 0.438 3.0 4 59.1 24.7
286 5 6 0 42.423 84.845 0.438 3.0 4 38.0 10.2
287 1 1 4 42.428 84.855 0.438 3.0 4 16.2 1.9
288 9 2 1 42.449 84.898 0.438 3.0 4 177.4 222.4
289 8 4 0 42.502 85.004 0.439 2.99 4 180.8 230.6
290 8 2 2 42.565 85.13 0.439 2.99 4 39.3 10.9
291 2 0 -4 42.608 85.216 0.439 2.99 2 81.1 23.1
292 1 7 0 42.744 85.488 0.441 2.97 4 47.4 15.7
293 6 2 3 42.759 85.518 0.441 2.97 4 36.6 9.4
294 2 0 4 42.76 85.519 0.441 2.97 2 95.2 31.7
295 5 5 -2 42.774 85.549 0.441 2.97 4 177.0 219.4
296 2 6 -2 42.912 85.824 0.442 2.96 4 98.5 67.7
297 5 5 2 42.964 85.927 0.442 2.96 4 156.1 169.8
298 2 6 2 42.987 85.975 0.443 2.95 4 143.0 142.5
299 2 1 -4 43.143 86.285 0.444 2.94 4 53.8 20.1
300 7 5 0 43.171 86.341 0.444 2.94 4 51.1 18.1
301 2 1 4 43.294 86.588 0.445 2.93 4 37.3 9.6
302 4 4 -3 43.366 86.733 0.446 2.93 4 84.7 49.5
303 9 3 0 43.455 86.909 0.446 2.92 4 15.8 1.7
304 2 7 0 43.572 87.144 0.447 2.91 4 84.8 49.3
305 4 4 3 43.593 87.186 0.448 2.91 4 30.5 6.4
306 0 2 4 43.717 87.433 0.449 2.9 4 52.4 18.8
307 0 5 3 43.871 87.743 0.45 2.89 4 1.0 0.0
308 10 0 0 43.89 87.78 0.45 2.89 2 172.0 100.8
309 1 2 -4 43.954 87.909 0.451 2.89 4 156.2 166.0
310 5 6 -1 43.956 87.912 0.451 2.89 4 42.5 12.3
311 8 4 -1 44.007 88.013 0.451 2.88 4 116.2 91.7
312 1 2 4 44.03 88.06 0.451 2.88 4 194.2 256.2
313 0 7 1 44.048 88.096 0.451 2.88 4 25.7 4.5
314 5 6 1 44.05 88.1 0.451 2.88 4 31.7 6.8
315 1 5 -3 44.119 88.237 0.452 2.88 4 120.4 98.4
316 8 4 1 44.158 88.315 0.452 2.87 4 161.5 176.7
317 1 5 3 44.175 88.35 0.452 2.87 4 83.8 47.5
318 3 6 -2 44.272 88.543 0.453 2.87 4 40.0 10.8
319 1 7 -1 44.314 88.628 0.453 2.87 4 50.2 17.0
320 1 7 1 44.333 88.666 0.454 2.86 4 57.0 21.9
321 7 1 -3 44.374 88.748 0.454 2.86 4 38.0 9.7
322 3 6 2 44.385 88.77 0.454 2.86 4 47.3 15.1
323 10 1 0 44.423 88.847 0.454 2.86 4 102.5 70.8
324 3 1 -4 44.483 88.966 0.455 2.86 4 171.6 198.1
325 7 4 -2 44.551 89.101 0.455 2.85 4 124.0 103.3
326 7 5 -1 44.683 89.366 0.456 2.84 4 37.1 9.2
327 3 1 4 44.71 89.419 0.457 2.84 4 158.5 168.3
328 2 2 -4 44.743 89.486 0.457 2.84 4 31.9 6.8
329 7 1 3 44.77 89.541 0.457 2.84 4 100.6 67.8
330 7 4 2 44.815 89.629 0.458 2.84 4 128.1 109.7
331 7 5 1 44.815 89.63 0.458 2.84 4 41.2 11.4
332 2 2 4 44.894 89.788 0.458 2.83 4 61.7 25.4
333 2 5 -3 44.917 89.833 0.458 2.83 4 35.7 8.5
334 8 3 -2 44.931 89.862 0.458 2.83 4 1.7 0.0
335 9 3 -1 44.948 89.895 0.459 2.83 4 0.4 0.0
336 3 7 0 44.95 89.899 0.459 2.83 4 58.8 23.1
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 1 1 0 6.822 13.644 6.48471 335.6 6.0 6.0 5.6
2 2 0 0 7.97 15.94 5.55536 2107.6 37.7 37.9 5.6
3 0 0 1 9.55 19.1 4.64288 4996.2 89.4 89.7 5.6
4 2 1 0 9.724 19.448 4.56045 295.9 5.3 5.3 5.6
5 0 2 0 11.123 22.245 3.993 270.1 4.8 4.8 5.6
6 1 1 -1 11.75 23.5 3.78254 156.1 2.8 2.8 5.6
7 1 1 1 11.797 23.594 3.76761 120.9 2.2 2.2 5.6
8 1 2 0 11.829 23.657 3.7577 5588.0 100.0 100.0 5.6
9 2 0 -1 12.442 24.884 3.57514 1385.1 24.8 24.8 5.6
10 2 0 1 12.532 25.063 3.55005 1485.1 26.6 26.5 5.6
11 3 1 0 13.254 26.507 3.35985 4100.2 73.4 73.2 5.6
12 2 1 -1 13.654 27.308 3.26308 2614.3 46.8 46.7 5.6
13 2 1 1 13.736 27.472 3.24397 2332.0 41.7 41.6 5.6
14 0 2 1 14.74 29.48 3.02739 2319.3 41.5 41.3 5.6
15 1 2 -1 15.272 30.544 2.92437 3050.2 54.6 54.3 5.6
16 1 2 1 15.309 30.618 2.91746 3213.0 57.5 57.2 5.6
17 3 1 -1 16.387 32.773 2.73034 3074.9 55.0 54.6 5.6
18 3 1 1 16.491 32.982 2.71355 2906.7 52.0 51.6 5.6
19 2 2 -1 16.81 33.62 2.66353 98.0 1.8 1.7 5.7
20 4 1 0 17.074 34.148 2.62351 1625.6 29.1 28.8 5.7
21 2 3 0 18.715 37.431 2.40062 1749.0 31.3 30.9 5.7
22 4 0 1 18.915 37.83 2.37618 156.8 2.8 2.8 5.7
23 3 2 -1 19.14 38.28 2.34932 485.7 8.7 8.6 5.7
24 3 2 1 19.231 38.462 2.3386 87.4 1.6 1.5 5.7
25 0 0 2 19.379 38.757 2.32144 1279.5 22.9 22.6 5.7
26 0 3 1 19.484 38.969 2.30935 350.7 6.3 6.2 5.7
27 4 1 -1 19.649 39.298 2.29073 162.4 2.9 2.9 5.7
28 4 1 1 19.768 39.536 2.2775 1152.4 20.6 20.3 5.7
29 1 3 -1 19.903 39.807 2.26263 169.6 3.0 3.0 5.7
30 1 3 1 19.933 39.866 2.25942 90.2 1.6 1.6 5.7
31 0 1 2 20.215 40.43 2.22917 66.0 1.2 1.2 5.7
32 1 1 -2 20.608 41.215 2.18852 215.9 3.9 3.8 5.7
33 1 1 2 20.665 41.329 2.18272 96.6 1.7 1.7 5.7
34 2 0 -2 21.02 42.041 2.14742 144.7 2.6 2.5 5.7
35 5 1 0 21.088 42.177 2.14081 693.9 12.4 12.2 5.7
36 2 3 -1 21.147 42.294 2.13513 1277.5 22.9 22.5 5.7
37 2 3 1 21.203 42.406 2.12975 653.5 11.7 11.5 5.7
38 2 1 -2 21.805 43.609 2.07376 302.0 5.4 5.3 5.7
39 0 2 2 22.57 45.14 2.00692 239.2 4.3 4.2 5.7
40 0 4 0 22.694 45.389 1.9965 221.0 4.0 3.9 5.7
41 1 2 -2 22.93 45.859 1.9771 1216.1 21.8 21.3 5.7
42 1 2 2 22.982 45.964 1.97282 882.0 15.8 15.5 5.7
43 1 4 0 23.079 46.157 1.96503 429.0 7.7 7.5 5.7
44 5 1 -1 23.277 46.554 1.94921 542.9 9.7 9.5 5.7
45 5 2 0 23.372 46.744 1.94172 236.2 4.2 4.1 5.7
46 5 1 1 23.407 46.813 1.93902 625.6 11.2 11.0 5.7
47 4 3 0 23.627 47.255 1.92191 1505.3 26.9 26.4 5.7
48 3 1 -2 23.709 47.417 1.91572 1121.9 20.1 19.6 5.7
49 3 1 2 23.862 47.724 1.90412 1157.3 20.7 20.3 5.7
50 2 2 2 24.135 48.271 1.88381 81.6 1.5 1.4 5.7
51 2 4 0 24.203 48.406 1.87885 482.2 8.6 8.4 5.7
52 6 0 0 24.58 49.16 1.85179 330.1 5.9 5.8 5.7
53 0 4 1 24.833 49.666 1.83411 782.3 14.0 13.7 5.7
54 1 4 -1 25.18 50.36 1.81045 843.4 15.1 14.7 5.8
55 6 1 0 25.277 50.555 1.80392 202.8 3.6 3.5 5.8
56 5 2 -1 25.406 50.813 1.79537 216.6 3.9 3.8 5.8
57 4 3 -1 25.659 51.317 1.7789 942.2 16.9 16.4 5.8
58 4 3 1 25.755 51.51 1.77268 1129.0 20.2 19.7 5.8
59 3 2 -2 25.811 51.623 1.76909 98.6 1.8 1.7 5.8
60 3 2 2 25.955 51.911 1.75995 202.3 3.6 3.5 5.8
61 3 4 0 25.996 51.991 1.75741 120.7 2.2 2.1 5.8
62 2 4 -1 26.225 52.45 1.74312 946.8 16.9 16.5 5.8
63 2 4 1 26.273 52.545 1.74018 366.4 6.6 6.4 5.8
64 4 1 2 26.394 52.788 1.73274 341.1 6.1 5.9 5.8
65 1 3 -2 26.444 52.887 1.72974 89.8 1.6 1.6 5.8
66 1 3 2 26.491 52.982 1.72688 83.5 1.5 1.5 5.8
67 6 0 -1 26.534 53.068 1.72428 641.8 11.5 11.2 5.8
68 6 0 1 26.675 53.35 1.7158 455.5 8.2 7.9 5.8
69 5 3 0 26.843 53.685 1.7059 113.5 2.0 2.0 5.8
70 6 1 -1 27.195 54.39 1.68544 79.4 1.4 1.4 5.8
71 6 2 0 27.292 54.583 1.67992 199.3 3.6 3.5 5.8
72 6 1 1 27.334 54.668 1.67752 70.9 1.3 1.2 5.8
73 2 3 -2 27.443 54.886 1.67138 770.0 13.8 13.4 5.8
74 2 3 2 27.535 55.07 1.66623 503.4 9.0 8.7 5.8
75 4 2 -2 28.172 56.344 1.63154 79.5 1.4 1.4 5.8
76 4 2 2 28.353 56.706 1.62198 149.1 2.7 2.6 5.8
77 5 3 -1 28.698 57.397 1.60409 71.9 1.3 1.2 5.8
78 5 3 1 28.81 57.62 1.59839 86.7 1.6 1.5 5.8
79 1 5 0 29.158 58.317 1.58095 238.9 4.3 4.1 5.8
80 5 1 -2 29.194 58.387 1.57921 311.8 5.6 5.4 5.8
81 6 2 1 29.25 58.5 1.57643 78.4 1.4 1.4 5.8
82 5 1 2 29.415 58.829 1.56839 199.3 3.6 3.4 5.8
83 7 1 0 29.656 59.311 1.55679 205.9 3.7 3.6 5.8
84 0 0 3 29.849 59.698 1.54763 370.6 6.6 6.4 5.8
85 4 4 -1 30.173 60.346 1.53255 73.9 1.3 1.3 5.8
86 6 3 0 30.445 60.89 1.52015 212.7 3.8 3.7 5.8
87 0 4 2 30.589 61.178 1.5137 117.6 2.1 2.0 5.8
88 1 1 -3 30.745 61.489 1.50677 65.4 1.2 1.1 5.8
89 1 4 -2 30.881 61.762 1.50078 234.4 4.2 4.0 5.8
90 1 4 2 30.924 61.847 1.49891 192.6 3.4 3.3 5.8
91 1 5 -1 30.967 61.933 1.49703 210.2 3.8 3.6 5.8
92 5 2 -2 31.036 62.073 1.494 214.3 3.8 3.7 5.8
93 2 0 3 31.173 62.346 1.48811 179.4 3.2 3.1 5.8
94 4 3 -2 31.269 62.537 1.48402 456.1 8.2 7.8 5.8
95 7 1 -1 31.383 62.766 1.47916 84.9 1.5 1.5 5.9
96 4 3 2 31.438 62.877 1.47682 478.6 8.6 8.2 5.9
97 7 2 0 31.482 62.964 1.47498 382.0 6.8 6.5 5.9
98 7 1 1 31.531 63.062 1.47291 68.5 1.2 1.2 5.9
99 2 1 -3 31.645 63.29 1.46816 119.9 2.1 2.1 5.9
100 3 5 0 31.682 63.364 1.46663 230.7 4.1 4.0 5.9
101 2 4 -2 31.79 63.579 1.46219 267.3 4.8 4.6 5.9
102 2 4 2 31.874 63.747 1.45873 442.8 7.9 7.6 5.9
103 6 0 -2 32.021 64.043 1.45271 146.4 2.6 2.5 5.9
104 6 3 -1 32.158 64.316 1.4472 278.3 5.0 4.8 5.9
105 6 3 1 32.283 64.567 1.44218 553.2 9.9 9.5 5.9
106 1 2 -3 32.535 65.07 1.43223 309.1 5.5 5.3 5.9
107 1 2 3 32.598 65.195 1.42979 605.7 10.8 10.3 5.9
108 6 1 2 32.86 65.72 1.41963 149.2 2.7 2.5 5.9
109 3 1 -3 33.136 66.272 1.40915 1016.0 18.2 17.3 5.9
110 7 2 1 33.298 66.597 1.40306 649.2 11.6 11.1 5.9
111 3 5 -1 33.39 66.78 1.39965 346.9 6.2 5.9 5.9
112 3 5 1 33.452 66.903 1.39737 292.5 5.2 5.0 5.9
113 8 0 0 33.685 67.369 1.38884 106.4 1.9 1.8 5.9
114 5 3 -2 33.978 67.956 1.37827 64.2 1.1 1.1 5.9
115 5 3 2 34.181 68.362 1.37106 63.7 1.1 1.1 5.9
116 6 2 -2 34.349 68.699 1.36517 135.6 2.4 2.3 5.9
117 6 4 0 34.565 69.131 1.35769 229.4 4.1 3.9 5.9
118 4 0 3 34.854 69.708 1.34785 59.4 1.1 1.0 5.9
119 3 2 3 35.042 70.083 1.34155 122.4 2.2 2.1 5.9
120 4 1 -3 35.18 70.361 1.33694 141.6 2.5 2.4 5.9
121 8 0 -1 35.294 70.587 1.33321 157.6 2.8 2.7 5.9
122 0 6 0 35.361 70.722 1.331 246.8 4.4 4.2 5.9
123 4 1 3 35.42 70.841 1.32905 68.4 1.2 1.2 5.9
124 8 0 1 35.453 70.907 1.32798 218.0 3.9 3.7 5.9
125 1 6 0 35.652 71.304 1.32155 79.5 1.4 1.3 5.9
126 8 2 0 35.959 71.919 1.31176 62.3 1.1 1.1 5.9
127 1 5 -2 36.1 72.201 1.30733 144.1 2.6 2.4 5.9
128 1 5 2 36.14 72.28 1.30609 80.4 1.4 1.4 5.9
129 2 3 -3 36.253 72.505 1.30259 124.4 2.2 2.1 5.9
130 5 5 0 36.436 72.871 1.29694 442.7 7.9 7.5 6.0
131 2 6 0 36.52 73.04 1.29437 207.5 3.7 3.5 6.0
132 7 1 2 36.704 73.407 1.28879 58.7 1.1 1.0 6.0
133 0 6 1 37.016 74.031 1.27946 126.3 2.3 2.1 6.0
134 1 6 -1 37.292 74.584 1.27135 144.0 2.6 2.4 6.0
135 6 3 2 37.396 74.791 1.26834 176.9 3.2 3.0 6.0
136 5 1 -3 37.744 75.489 1.25834 96.4 1.7 1.6 6.0
137 5 5 -1 38.024 76.048 1.25048 505.2 9.0 8.5 6.0
138 7 2 -2 38.087 76.175 1.24871 316.3 5.7 5.3 6.0
139 5 5 1 38.121 76.242 1.24777 562.9 10.1 9.4 6.0
140 2 6 1 38.175 76.349 1.24628 219.7 3.9 3.7 6.0
141 7 4 0 38.314 76.628 1.24245 122.7 2.2 2.1 6.0
142 3 5 -2 38.349 76.697 1.2415 562.4 10.1 9.4 6.0
143 3 5 2 38.465 76.93 1.23832 268.4 4.8 4.5 6.0
144 0 4 3 39.031 78.062 1.22317 157.2 2.8 2.6 6.0
145 9 1 0 39.151 78.301 1.22003 98.8 1.8 1.6 6.0
146 1 4 -3 39.283 78.567 1.21657 81.2 1.5 1.4 6.0
147 1 4 3 39.341 78.682 1.21507 184.6 3.3 3.1 6.0
148 5 2 -3 39.385 78.77 1.21394 76.8 1.4 1.3 6.0
149 4 3 -3 39.604 79.208 1.20832 332.2 5.9 5.5 6.0
150 5 2 3 39.673 79.346 1.20657 64.0 1.1 1.1 6.0
151 4 3 3 39.834 79.669 1.20249 529.1 9.5 8.8 6.0
152 7 4 1 39.992 79.984 1.19854 58.6 1.0 1.0 6.0
153 8 0 -2 40.11 80.22 1.19561 160.2 2.9 2.7 6.0
154 2 4 3 40.21 80.42 1.19314 101.3 1.8 1.7 6.0
155 6 0 -3 40.268 80.536 1.19171 126.7 2.3 2.1 6.1
156 8 0 2 40.416 80.832 1.18809 171.8 3.1 2.8 6.1
157 6 0 3 40.612 81.224 1.18335 102.5 1.8 1.7 6.1
158 9 1 -1 40.667 81.334 1.18203 70.0 1.3 1.2 6.1
159 9 2 0 40.775 81.55 1.17944 195.5 3.5 3.2 6.1
160 6 4 -2 40.976 81.953 1.17466 108.3 1.9 1.8 6.1
161 6 4 2 41.205 82.41 1.1693 70.9 1.3 1.2 6.1
162 0 0 4 41.577 83.153 1.16072 201.6 3.6 3.3 6.1
163 0 6 2 41.843 83.687 1.15467 196.2 3.5 3.2 6.1
164 1 6 -2 42.101 84.203 1.14891 56.6 1.0 0.9 6.1
165 9 2 -1 42.278 84.557 1.145 210.0 3.8 3.4 6.1
166 9 2 1 42.449 84.898 1.14127 222.4 4.0 3.6 6.1
167 8 4 0 42.502 85.004 1.14011 230.6 4.1 3.8 6.1
168 5 5 -2 42.774 85.549 1.13424 276.2 4.9 4.5 6.1
169 2 6 -2 42.912 85.824 1.13132 67.7 1.2 1.1 6.1
170 5 5 2 42.964 85.927 1.13022 312.3 5.6 5.1 6.1
171 10 0 0 43.89 87.78 1.11107 100.8 1.8 1.6 6.2
172 1 2 -4 43.954 87.909 1.10978 178.3 3.2 2.9 6.2
173 1 2 4 44.03 88.06 1.10826 359.2 6.4 5.8 6.2
174 1 5 -3 44.119 88.237 1.10649 98.4 1.8 1.6 6.2
175 8 4 1 44.158 88.315 1.10572 224.2 4.0 3.6 6.2
176 10 1 0 44.423 88.847 1.10047 70.8 1.3 1.1 6.2
177 3 1 -4 44.483 88.966 1.0993 198.1 3.5 3.2 6.2
178 7 4 -2 44.551 89.101 1.09799 103.3 1.8 1.7 6.2
179 3 1 4 44.71 89.419 1.09491 177.5 3.2 2.9 6.2
180 7 1 3 44.77 89.541 1.09373 74.6 1.3 1.2 6.2
181 7 4 2 44.815 89.629 1.09288 121.1 2.2 2.0 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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