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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CAPGARONNITE
1
HgS.Ag(Cl,Br,I)
Orthorhombic P 2(1)2(1)2 Z = 4
R =0.17
2 .11 .1994
Ref.Str.:
Mason B., Mumme W.G., Sarp H. (1992)
* Amer. Mineral., 77, 197-200
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.803 alpha = 90.0
b = 12.87 beta = 90.0
c = 4.528 gamma = 90.0
Unit cell volume (cub. angs.) = 396.45
Molar volume ( cub.cm/mol.) = 59.7
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.134 0.253 0.464 0.04 Hg = 1.00
2 0.291 0.044 0.99 0.11 Ag = 1.00
3 0.39 0.114 0.468 0.04 S = 1.00
4 0.383 0.355 0.031 0.11 Cl = 0.8 , Br = 0.2
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.134 0.253 0.464
2 2 0.291 0.044 0.99
3 3 0.39 0.114 0.468
4 4 0.383 0.355 0.031
5 1 0.866 0.747 0.464
6 2 0.709 0.956 0.99
7 3 0.61 0.886 0.468
8 4 0.617 0.645 0.031
9 1 0.366 0.753 0.536
10 2 0.209 0.544 0.01
11 3 0.11 0.614 0.532
12 4 0.117 0.855 0.969
13 1 0.634 0.247 0.536
14 2 0.791 0.456 0.01
15 3 0.89 0.386 0.532
16 4 0.883 0.145 0.969
X-ray density (g/cm cub.) = 6.45
MU (1/cm) = 1244.388 Mass attenuation coefficient (cm**2/g) = 193.05
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Hg 3.696 6
2.4967 3
3.3443 4
2.9046 4
2.4042 3
3.1743 4
3.1419 4
2 Ag 3.708 5
2.4392 3
2.6176 3
3.6782 3
2.7068 4
3.0664 4
3 S 4.536 11
4.528 3
4.528 3
4.0151 4
3.6794 4
3.294 3
4.4392 4
4.4346 4
4.0686 4
4.0636 4
4.1475 4
4.1426 4
4 Cl ,Br 4.704 13
3.6794 3
4.0151 3
4.528 4
4.528 4
4.0576 4
4.4392 3
4.4346 3
4.1475 3
4.1426 3
4.0686 3
4.0636 3
4.3536 4
4.3536 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 0 2 0 6.875 13.75 0.078 136.62 2 147.8 3799.8
2 1 1 0 7.358 14.716 0.083 118.98 4 47.2 674.9
3 1 2 0 9.484 18.968 0.107 70.74 4 68.3 840.9
4 0 0 1 9.794 19.589 0.11 66.19 2 84.4 600.0
5 0 1 1 10.389 20.779 0.117 58.59 4 11.8 20.7
6 1 0 1 11.792 23.583 0.133 45.01 4 25.3 73.2
7 0 2 1 12.006 24.011 0.135 43.35 4 384.7 16325.7
8 1 3 0 12.256 24.511 0.138 41.51 4 43.6 200.9
9 1 1 1 12.294 24.589 0.138 41.24 8 59.4 741.7
10 2 0 0 13.088 26.177 0.147 36.14 2 157.3 1138.6
11 2 1 0 13.546 27.092 0.152 33.61 4 158.0 2136.0
12 1 2 1 13.699 27.399 0.154 32.82 8 39.5 261.1
13 0 4 0 13.851 27.703 0.155 32.06 2 231.4 2184.4
14 0 3 1 14.32 28.641 0.161 29.86 4 2.8 0.6
15 2 2 0 14.841 29.683 0.166 27.67 4 89.3 561.7
16 1 4 0 15.357 30.714 0.172 25.72 4 181.5 2155.1
17 1 3 1 15.785 31.57 0.177 24.24 8 107.9 1437.2
18 2 0 1 16.453 32.906 0.184 22.16 4 109.6 677.5
19 2 3 0 16.798 33.596 0.188 21.18 4 374.0 7542.0
20 2 1 1 16.827 33.654 0.188 21.1 8 287.4 8873.5
21 0 4 1 17.079 34.158 0.191 20.43 4 188.4 1845.1
22 2 2 1 17.908 35.816 0.2 18.42 8 142.8 1911.4
23 1 4 1 18.346 36.693 0.204 17.47 8 138.3 1700.4
24 1 5 0 18.66 37.321 0.208 16.83 4 1.6 0.1
25 2 4 0 19.241 38.481 0.214 15.73 4 99.0 392.2
26 2 3 1 19.594 39.188 0.218 15.11 8 197.2 2991.8
27 0 0 2 19.891 39.782 0.221 14.61 2 460.2 3937.2
28 0 5 1 20.135 40.269 0.223 14.22 4 13.0 6.1
29 3 1 0 20.176 40.353 0.224 14.16 4 96.6 336.2
30 0 1 2 20.21 40.419 0.224 14.1 4 41.8 62.8
31 1 0 2 21.013 42.025 0.233 12.93 4 68.8 155.9
32 0 6 0 21.045 42.09 0.233 12.88 2 230.5 871.2
33 3 2 0 21.11 42.219 0.234 12.8 4 66.7 144.7
34 0 2 2 21.142 42.283 0.234 12.75 4 102.9 343.4
35 1 5 1 21.246 42.492 0.235 12.61 8 35.2 79.3
36 1 1 2 21.318 42.635 0.236 12.52 8 86.6 478.1
37 2 4 1 21.768 43.537 0.241 11.94 8 26.6 42.9
38 2 5 0 22.042 44.083 0.244 11.61 4 238.7 1684.3
39 1 6 0 22.119 44.238 0.244 11.52 4 118.9 414.3
40 1 2 2 22.212 44.423 0.245 11.41 8 96.2 538.2
41 3 0 1 22.327 44.655 0.247 11.28 4 39.2 44.2
42 3 3 0 22.595 45.19 0.249 10.98 4 74.1 153.7
43 3 1 1 22.618 45.236 0.25 10.96 8 71.1 282.0
44 0 3 2 22.625 45.25 0.25 10.95 4 10.2 2.9
45 0 6 1 23.413 46.827 0.258 10.13 4 265.9 1822.9
46 3 2 1 23.472 46.945 0.259 10.07 8 127.6 834.9
47 1 3 2 23.642 47.284 0.26 9.91 8 69.3 242.0
48 2 0 2 24.123 48.247 0.265 9.47 4 129.2 402.5
49 2 5 1 24.333 48.665 0.267 9.28 8 252.7 3016.9
50 2 1 2 24.397 48.795 0.268 9.23 8 125.9 744.8
51 1 6 1 24.405 48.809 0.268 9.22 8 200.6 1889.1
52 3 4 0 24.555 49.11 0.27 9.09 4 46.6 50.3
53 0 4 2 24.583 49.167 0.27 9.07 4 188.2 817.9
54 3 3 1 24.847 49.693 0.273 8.85 8 112.8 573.6
55 2 6 0 25.122 50.244 0.276 8.63 4 36.4 29.1
56 2 2 2 25.206 50.412 0.276 8.57 8 86.3 324.7
57 1 4 2 25.541 51.081 0.28 8.32 8 159.7 1079.3
58 1 7 0 25.721 51.442 0.282 8.18 4 61.0 77.6
59 2 3 2 26.513 53.026 0.29 7.64 8 294.1 3361.7
60 3 4 1 26.682 53.364 0.291 7.53 8 97.2 362.3
61 0 7 1 26.883 53.767 0.294 7.4 4 2.0 0.1
62 3 5 0 26.917 53.834 0.294 7.38 4 22.2 9.3
63 4 0 0 26.93 53.861 0.294 7.37 2 234.2 514.5
64 0 5 2 26.943 53.887 0.294 7.36 4 22.5 9.5
65 4 1 0 27.184 54.367 0.297 7.21 4 36.4 24.3
66 2 6 1 27.217 54.434 0.297 7.19 8 8.4 2.6
67 1 7 1 27.784 55.568 0.303 6.87 8 60.4 127.4
68 1 5 2 27.843 55.685 0.303 6.83 8 94.9 313.4
69 4 2 0 27.934 55.868 0.304 6.78 4 276.5 1319.2
70 2 4 2 28.272 56.544 0.307 6.6 8 81.5 222.9
71 2 7 0 28.44 56.88 0.309 6.51 4 242.5 974.7
72 0 8 0 28.607 57.215 0.311 6.43 2 196.8 316.5
73 3 0 2 28.736 57.471 0.312 6.36 4 70.4 80.2
74 3 5 1 28.921 57.842 0.314 6.27 8 30.8 30.2
75 4 0 1 28.934 57.868 0.314 6.26 4 256.2 1045.9
76 3 1 2 28.978 57.957 0.314 6.24 8 95.3 288.4
77 4 3 0 29.157 58.313 0.316 6.16 4 112.2 197.1
78 4 1 1 29.176 58.351 0.316 6.15 8 77.4 187.5
79 1 8 0 29.473 58.946 0.319 6.01 4 80.9 100.1
80 3 6 0 29.624 59.248 0.321 5.94 4 103.1 160.8
81 0 6 2 29.649 59.298 0.321 5.93 4 185.1 516.7
82 3 2 2 29.699 59.398 0.322 5.91 8 105.4 333.7
83 4 2 1 29.893 59.787 0.324 5.82 8 132.7 521.3
84 2 7 1 30.379 60.757 0.328 5.61 8 110.0 346.0
85 2 5 2 30.434 60.868 0.329 5.59 8 186.8 992.6
86 1 6 2 30.496 60.992 0.329 5.57 8 113.4 364.3
87 0 8 1 30.539 61.079 0.33 5.55 4 281.5 1119.4
88 0 0 3 30.687 61.374 0.331 5.49 2 34.6 8.4
89 4 4 0 30.816 61.633 0.333 5.44 4 104.4 150.9
90 3 3 2 30.877 61.755 0.333 5.41 8 84.9 198.5
91 0 1 3 30.92 61.84 0.334 5.4 4 25.1 8.7
92 4 3 1 31.067 62.135 0.335 5.34 8 38.9 41.1
93 1 8 1 31.372 62.744 0.338 5.23 8 59.9 95.5
94 1 0 3 31.517 63.034 0.339 5.18 4 58.5 45.1
95 3 6 1 31.518 63.035 0.339 5.18 8 44.4 52.0
96 0 2 3 31.614 63.228 0.34 5.14 4 248.9 810.6
97 1 1 3 31.747 63.494 0.342 5.09 8 113.8 335.6
98 2 8 0 31.982 63.965 0.344 5.01 4 47.0 28.2
99 1 2 3 32.431 64.862 0.348 4.86 8 81.4 164.2
100 3 4 2 32.485 64.97 0.349 4.85 8 78.7 152.7
101 3 7 0 32.64 65.28 0.35 4.8 4 73.6 66.2
102 0 7 2 32.663 65.327 0.35 4.79 4 28.0 9.5
103 4 4 1 32.67 65.339 0.35 4.79 8 230.4 1293.7
104 0 3 3 32.752 65.505 0.351 4.76 4 4.9 0.3
105 4 5 0 32.877 65.755 0.352 4.72 4 67.7 55.1
106 2 6 2 32.96 65.92 0.353 4.7 8 31.0 23.0
107 1 9 0 33.396 66.793 0.357 4.57 4 36.9 15.8
108 1 7 2 33.467 66.934 0.358 4.55 8 79.8 147.3
109 1 3 3 33.555 67.109 0.359 4.52 8 113.0 293.8
110 2 8 1 33.801 67.601 0.361 4.45 8 81.9 152.1
111 2 0 3 33.94 67.881 0.362 4.41 4 82.6 76.7
112 2 1 3 34.162 68.323 0.364 4.36 8 183.8 748.9
113 0 4 3 34.313 68.625 0.366 4.32 4 111.6 136.8
114 0 9 1 34.394 68.788 0.367 4.3 4 7.7 0.7
115 3 7 1 34.44 68.881 0.367 4.28 8 46.2 46.5
116 3 5 2 34.492 68.985 0.368 4.27 8 52.5 60.0
117 4 0 2 34.504 69.008 0.368 4.27 4 187.2 380.7
118 4 5 1 34.672 69.343 0.369 4.22 8 143.5 442.8
119 5 1 0 34.701 69.401 0.37 4.22 4 103.1 114.1
120 4 1 2 34.723 69.447 0.37 4.21 8 29.9 19.2
121 2 2 3 34.821 69.642 0.371 4.19 8 102.4 223.7
122 1 4 3 35.097 70.194 0.373 4.12 8 149.7 470.0
123 1 9 1 35.178 70.356 0.374 4.1 8 68.4 97.8
124 4 6 0 35.31 70.62 0.375 4.07 4 170.5 301.1
125 5 2 0 35.356 70.711 0.376 4.06 4 34.7 12.4
126 4 2 2 35.378 70.757 0.376 4.06 8 229.3 1086.0
127 2 9 0 35.755 71.51 0.379 3.97 4 113.5 130.3
128 2 7 2 35.823 71.647 0.38 3.96 8 201.6 818.6
129 2 3 3 35.908 71.817 0.381 3.94 8 121.2 294.3
130 3 8 0 35.949 71.897 0.381 3.93 4 92.5 85.6
131 0 8 2 35.971 71.942 0.381 3.93 4 156.8 245.6
132 5 0 1 36.238 72.476 0.384 3.87 4 0.9 0.0
133 0 5 3 36.271 72.543 0.384 3.86 4 28.8 8.2
134 5 3 0 36.436 72.872 0.386 3.83 4 60.4 35.6
135 5 1 1 36.453 72.906 0.386 3.83 8 156.7 478.0
136 4 3 2 36.458 72.917 0.386 3.82 8 99.2 191.6
137 1 8 2 36.74 73.481 0.388 3.77 8 91.6 160.9
138 0 10 0 36.763 73.526 0.389 3.76 2 315.4 476.7
139 3 6 2 36.876 73.751 0.39 3.74 8 108.3 223.3
140 1 5 3 37.038 74.077 0.391 3.71 8 53.6 54.4
141 4 6 1 37.05 74.1 0.391 3.71 8 229.4 994.1
142 5 2 1 37.095 74.19 0.392 3.7 8 48.2 43.7
143 2 4 3 37.408 74.817 0.394 3.65 8 23.5 10.3
144 2 9 1 37.487 74.974 0.395 3.63 8 252.2 1175.6
145 1 10 0 37.526 75.052 0.395 3.62 4 19.2 3.4
146 3 8 1 37.677 75.354 0.397 3.6 8 96.8 171.5
147 3 0 3 37.811 75.621 0.398 3.58 4 90.2 74.1
148 5 4 0 37.928 75.856 0.399 3.56 4 1.2 0.0
149 4 4 2 37.95 75.9 0.399 3.55 8 83.1 124.8
150 3 1 3 38.022 76.045 0.4 3.54 8 109.9 217.8
151 4 7 0 38.095 76.19 0.4 3.53 4 140.7 177.7
152 5 3 1 38.156 76.312 0.401 3.52 8 36.5 23.8
153 0 10 1 38.478 76.956 0.404 3.47 4 22.8 4.6
154 0 6 3 38.611 77.221 0.405 3.45 4 173.6 264.3
155 3 2 3 38.655 77.31 0.405 3.44 8 121.0 256.3
156 2 8 2 39.015 78.029 0.409 3.39 8 43.3 32.3
157 1 10 1 39.23 78.46 0.411 3.36 8 48.1 39.5
158 2 5 3 39.307 78.613 0.411 3.35 8 173.5 512.9
159 1 6 3 39.362 78.724 0.412 3.34 8 169.4 487.5
160 3 9 0 39.555 79.11 0.413 3.31 4 9.4 0.7
161 0 9 2 39.577 79.153 0.414 3.31 4 17.6 2.6
162 3 7 2 39.621 79.241 0.414 3.3 8 92.9 145.0
163 5 4 1 39.626 79.252 0.414 3.3 8 43.0 31.0
164 3 3 3 39.703 79.406 0.415 3.29 8 90.1 136.0
165 2 10 0 39.786 79.571 0.415 3.28 4 106.8 95.3
166 4 7 1 39.791 79.582 0.415 3.28 8 32.5 17.6
167 5 5 0 39.819 79.637 0.416 3.28 4 32.5 8.8
168 4 5 2 39.84 79.681 0.416 3.27 8 66.9 74.7
169 1 9 2 40.323 80.645 0.42 3.22 8 66.4 72.1
170 3 4 3 41.158 82.316 0.427 3.12 8 137.4 300.0
171 4 8 0 41.229 82.459 0.428 3.11 4 257.5 525.5
172 3 9 1 41.235 82.469 0.428 3.11 8 95.4 144.1
173 0 7 3 41.322 82.643 0.429 3.1 4 5.0 0.2
174 5 0 2 41.338 82.676 0.429 3.1 4 53.3 22.4
175 2 10 1 41.463 82.927 0.43 3.09 8 57.2 51.5
176 5 5 1 41.496 82.992 0.43 3.09 8 33.6 17.7
177 5 1 2 41.545 83.09 0.43 3.08 8 114.1 204.2
178 2 6 3 41.594 83.187 0.431 3.08 8 5.5 0.5
179 1 11 0 41.915 83.83 0.434 3.05 4 27.0 5.6
180 1 7 3 42.061 84.122 0.435 3.03 8 115.6 206.3
181 5 6 0 42.099 84.199 0.435 3.03 4 40.6 12.7
182 4 6 2 42.121 84.242 0.435 3.03 8 142.2 311.4
183 5 2 2 42.164 84.329 0.436 3.02 8 44.8 30.8
184 2 9 2 42.544 85.088 0.439 2.99 8 91.5 127.6
185 3 8 2 42.728 85.457 0.44 2.98 8 108.2 177.3
186 6 0 0 42.794 85.587 0.441 2.97 2 29.4 3.3
187 0 11 1 42.842 85.684 0.441 2.97 4 21.1 3.4
188 0 0 4 42.88 85.759 0.442 2.96 2 262.0 258.9
189 4 8 1 42.896 85.793 0.442 2.96 8 142.9 308.0
190 6 1 0 42.999 85.999 0.443 2.95 4 151.6 172.9
191 3 5 3 43.015 86.03 0.443 2.95 8 57.2 49.2
192 4 0 3 43.026 86.052 0.443 2.95 4 180.3 244.3
193 0 1 4 43.085 86.171 0.443 2.95 4 56.0 23.5
194 5 3 2 43.194 86.388 0.444 2.94 8 90.8 123.4
195 4 1 3 43.232 86.463 0.445 2.94 8 56.3 47.4
196 3 10 0 43.486 86.973 0.447 2.92 4 35.5 9.3
197 0 10 2 43.508 87.016 0.447 2.92 4 270.7 544.1
198 1 11 1 43.578 87.156 0.447 2.91 8 37.4 20.7
199 1 0 4 43.615 87.231 0.448 2.91 4 92.0 62.7
200 6 2 0 43.616 87.232 0.448 2.91 4 61.6 28.1
201 0 2 4 43.702 87.404 0.448 2.9 4 32.2 7.6
202 5 6 1 43.762 87.524 0.449 2.9 8 24.5 8.8
203 1 1 4 43.821 87.642 0.449 2.9 8 109.6 177.1
204 4 2 3 43.848 87.697 0.45 2.89 8 82.4 99.9
205 2 11 0 44.124 88.248 0.452 2.88 4 187.6 257.8
206 1 10 2 44.243 88.486 0.453 2.87 8 67.7 67.0
207 2 7 3 44.27 88.54 0.453 2.87 8 65.8 63.3
208 0 8 3 44.41 88.82 0.454 2.86 4 200.6 292.9
209 1 2 4 44.437 88.874 0.454 2.86 8 114.4 190.4
210 6 0 1 44.454 88.908 0.455 2.86 4 56.1 22.9
211 5 4 2 44.632 89.264 0.456 2.85 8 42.6 26.3
212 6 3 0 44.643 89.286 0.456 2.85 4 131.2 124.8
213 6 1 1 44.659 89.318 0.456 2.85 8 149.8 324.9
214 0 3 4 44.729 89.457 0.457 2.84 4 12.9 1.2
215 4 9 0 44.729 89.459 0.457 2.84 4 3.4 0.1
216 5 7 0 44.773 89.545 0.457 2.84 4 2.5 0.0
217 4 7 2 44.794 89.588 0.457 2.84 8 128.0 236.8
218 4 3 3 44.875 89.75 0.458 2.83 8 43.1 26.8
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 2 0 6.875 13.75 6.435 3799.8 23.3 23.4 5.6
2 1 1 0 7.358 14.716 6.01444 674.9 4.1 4.2 5.6
3 1 2 0 9.484 18.968 4.67492 840.9 5.2 5.2 5.6
4 0 0 1 9.794 19.589 4.528 600.0 3.7 3.7 5.6
5 0 2 1 12.006 24.011 3.70312 16325.7 100.0 100.0 5.6
6 1 3 0 12.256 24.511 3.62874 200.9 1.2 1.2 5.6
7 1 1 1 12.294 24.589 3.61744 741.7 4.5 4.5 5.6
8 2 0 0 13.088 26.177 3.4015 1138.6 7.0 7.0 5.6
9 2 1 0 13.546 27.092 3.28858 2136.0 13.1 13.1 5.6
10 1 2 1 13.699 27.399 3.25248 261.1 1.6 1.6 5.6
11 0 4 0 13.851 27.703 3.2175 2184.4 13.4 13.3 5.6
12 2 2 0 14.841 29.683 3.00722 561.7 3.4 3.4 5.6
13 1 4 0 15.357 30.714 2.9086 2155.1 13.2 13.1 5.6
14 1 3 1 15.785 31.57 2.83164 1437.2 8.8 8.8 5.6
15 2 0 1 16.453 32.906 2.71961 677.5 4.1 4.1 5.6
16 2 3 0 16.798 33.596 2.66534 7542.0 46.2 45.8 5.7
17 2 1 1 16.827 33.654 2.66085 8873.5 54.4 53.9 5.7
18 0 4 1 17.079 34.158 2.62278 1845.1 11.3 11.2 5.7
19 2 2 1 17.908 35.816 2.50508 1911.4 11.7 11.6 5.7
20 1 4 1 18.346 36.693 2.44721 1700.4 10.4 10.3 5.7
21 2 4 0 19.241 38.481 2.33746 392.2 2.4 2.4 5.7
22 2 3 1 19.594 39.188 2.29695 2991.8 18.3 18.1 5.7
23 0 0 2 19.891 39.782 2.264 3937.2 24.1 23.8 5.7
24 3 1 0 20.176 40.353 2.23326 336.2 2.1 2.0 5.7
25 0 6 0 21.045 42.09 2.145 871.2 5.3 5.3 5.7
26 0 2 2 21.142 42.283 2.13568 343.4 2.1 2.1 5.7
27 1 1 2 21.318 42.635 2.11885 478.1 2.9 2.9 5.7
28 2 5 0 22.042 44.083 2.05256 1684.3 10.3 10.1 5.7
29 1 6 0 22.119 44.238 2.04572 414.3 2.5 2.5 5.7
30 1 2 2 22.212 44.423 2.03763 538.2 3.3 3.2 5.7
31 3 1 1 22.618 45.236 2.0029 438.6 2.7 2.6 5.7
32 0 6 1 23.413 46.827 1.93849 1822.9 11.2 10.9 5.7
33 3 2 1 23.472 46.945 1.93388 834.9 5.1 5.0 5.7
34 1 3 2 23.642 47.284 1.92081 242.0 1.5 1.5 5.7
35 2 0 2 24.123 48.247 1.8847 402.5 2.5 2.4 5.7
36 2 5 1 24.333 48.665 1.86945 3016.9 18.5 18.1 5.7
37 1 6 1 24.405 48.809 1.86428 2633.9 16.1 15.8 5.7
38 0 4 2 24.583 49.167 1.85156 868.2 5.3 5.2 5.7
39 3 3 1 24.847 49.693 1.83317 573.6 3.5 3.4 5.7
40 2 2 2 25.206 50.412 1.80872 324.7 2.0 1.9 5.8
41 1 4 2 25.541 51.081 1.78657 1079.3 6.6 6.4 5.8
42 2 3 2 26.513 53.026 1.72552 3361.7 20.6 20.0 5.8
43 3 4 1 26.682 53.364 1.7154 362.3 2.2 2.2 5.8
44 0 5 2 26.943 53.887 1.69998 533.2 3.3 3.2 5.8
45 1 5 2 27.843 55.685 1.64927 313.4 1.9 1.9 5.8
46 4 2 0 27.934 55.868 1.64429 1319.2 8.1 7.8 5.8
47 2 4 2 28.272 56.544 1.62624 222.9 1.4 1.3 5.8
48 2 7 0 28.44 56.88 1.61742 974.7 6.0 5.8 5.8
49 0 8 0 28.607 57.215 1.60875 316.5 1.9 1.9 5.8
50 4 0 1 28.934 57.868 1.59214 1076.2 6.6 6.4 5.8
51 3 1 2 28.978 57.957 1.58991 288.4 1.8 1.7 5.8
52 4 3 0 29.157 58.313 1.58104 384.6 2.4 2.3 5.8
53 0 6 2 29.649 59.298 1.55711 677.5 4.1 4.0 5.8
54 3 2 2 29.699 59.398 1.55472 333.7 2.0 2.0 5.8
55 4 2 1 29.893 59.787 1.54554 521.3 3.2 3.1 5.8
56 2 7 1 30.379 60.757 1.52316 346.0 2.1 2.0 5.8
57 2 5 2 30.434 60.868 1.52065 992.6 6.1 5.8 5.8
58 1 6 2 30.496 60.992 1.51786 364.3 2.2 2.1 5.8
59 0 8 1 30.539 61.079 1.51592 1119.4 6.9 6.6 5.8
60 3 3 2 30.877 61.755 1.50093 198.5 1.2 1.2 5.8
61 0 2 3 31.614 63.228 1.46945 810.6 5.0 4.8 5.9
62 1 1 3 31.747 63.494 1.46394 335.6 2.1 2.0 5.9
63 1 2 3 32.431 64.862 1.43633 164.2 1.0 1.0 5.9
64 4 4 1 32.67 65.339 1.42699 1293.7 7.9 7.6 5.9
65 1 3 3 33.555 67.109 1.39359 293.8 1.8 1.7 5.9
66 2 1 3 34.162 68.323 1.37176 748.9 4.6 4.4 5.9
67 4 0 2 34.504 69.008 1.35981 440.7 2.7 2.6 5.9
68 4 5 1 34.672 69.343 1.35405 557.0 3.4 3.2 5.9
69 2 2 3 34.821 69.642 1.34896 223.7 1.4 1.3 5.9
70 1 4 3 35.097 70.194 1.3397 470.0 2.9 2.7 5.9
71 4 6 0 35.31 70.62 1.33267 301.1 1.8 1.7 5.9
72 4 2 2 35.378 70.757 1.33043 1098.4 6.7 6.4 5.9
73 2 7 2 35.823 71.647 1.31607 818.6 5.0 4.7 5.9
74 2 3 3 35.908 71.817 1.31337 294.3 1.8 1.7 5.9
75 0 8 2 35.971 71.942 1.31139 331.3 2.0 1.9 5.9
76 4 3 2 36.458 72.917 1.29625 705.2 4.3 4.1 6.0
77 0 10 0 36.763 73.526 1.287 637.6 3.9 3.7 6.0
78 3 6 2 36.876 73.751 1.28363 223.3 1.4 1.3 6.0
79 4 6 1 37.05 74.1 1.27845 1048.5 6.4 6.0 6.0
80 2 9 1 37.487 74.974 1.2657 1175.6 7.2 6.8 6.0
81 3 8 1 37.677 75.354 1.26026 171.5 1.1 1.0 6.0
82 3 1 3 38.022 76.045 1.25052 217.8 1.3 1.2 6.0
83 4 7 0 38.095 76.19 1.2485 177.7 1.1 1.0 6.0
84 0 6 3 38.611 77.221 1.23437 264.3 1.6 1.5 6.0
85 3 2 3 38.655 77.31 1.23318 256.3 1.6 1.5 6.0
86 2 5 3 39.307 78.613 1.21597 512.9 3.1 2.9 6.0
87 1 6 3 39.362 78.724 1.21454 487.5 3.0 2.8 6.0
88 3 7 2 39.621 79.241 1.2079 176.0 1.1 1.0 6.0
89 3 4 3 41.158 82.316 1.17039 300.0 1.8 1.7 6.1
90 4 8 0 41.229 82.459 1.16873 669.6 4.1 3.8 6.1
91 5 1 2 41.545 83.09 1.16145 204.2 1.3 1.2 6.1
92 1 7 3 42.061 84.122 1.14981 206.3 1.3 1.2 6.1
93 4 6 2 42.121 84.242 1.14847 324.1 2.0 1.8 6.1
94 3 8 2 42.728 85.457 1.13523 177.3 1.1 1.0 6.1
95 4 8 1 42.896 85.793 1.13164 566.9 3.5 3.2 6.1
96 4 0 3 43.026 86.052 1.1289 466.4 2.9 2.6 6.1
97 0 10 2 43.508 87.016 1.11886 553.4 3.4 3.1 6.1
98 1 1 4 43.821 87.642 1.11247 277.1 1.7 1.5 6.2
99 2 11 0 44.124 88.248 1.10638 257.8 1.6 1.4 6.2
100 0 8 3 44.41 88.82 1.10073 483.3 3.0 2.7 6.2
101 6 1 1 44.659 89.318 1.09588 476.0 2.9 2.6 6.2
102 4 7 2 44.794 89.588 1.09328 236.8 1.5 1.3 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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