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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SHAKHOVITE
2
Hg(4)Sb(OH)(3)O(3)
Monoclinic I m Z = 2
R =0.049 NR =1126
2 .7 .1997
Ref.Str.:
Tillmans E., Krupp R., Abraham K. (1982)
* Tschermaks Min. Petr. Mitt., 30, 227-235
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.871 alpha = 90.0
b = 15.098 beta = 98.86
c = 5.433 gamma = 90.0
Unit cell volume (cub. angs.) = 394.79
Molar volume ( cub.cm/mol.) = 118.9
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.1185 0.0 0.0 Hg = 1.00
2 0.3607 0.7804 0.517 0.0 Hg = 1.00
3 0.4169 0.0 0.4882 0.0 Sb = 1.00
4 0.722 0.5 0.636 0.0 O = 1.00
5 0.68 0.5954 0.09 0.0 O = 1.00
6 0.153 0.5959 0.887 0.0 O = 1.00
7 0.153 0.5 0.333 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.1185 0.0
2 2 0.3607 0.7804 0.517
3 3 0.4169 0.0 0.4882
4 4 0.722 0.5 0.636
5 5 0.68 0.5954 0.09
6 6 0.153 0.5959 0.887
7 7 0.153 0.5 0.333
8 1 0.0 0.8815 0.0
9 2 0.3607 0.2196 0.517
10 5 0.68 0.4046 0.09
11 6 0.153 0.4041 0.887
12 1 0.5 0.6185 0.5
13 2 0.8607 0.2804 0.017
14 3 0.9169 0.5 0.9882
15 4 0.222 0.0 0.136
16 5 0.18 0.0954 0.59
17 6 0.653 0.0959 0.387
18 7 0.653 0.0 0.833
19 1 0.5 0.3815 0.5
20 2 0.8607 0.7196 0.017
21 5 0.18 0.9046 0.59
22 6 0.653 0.9041 0.387
X-ray density (g/cm cub.) = 8.58
MU (1/cm) = 1743.189 Mass attenuation coefficient (cm**2/g) = 203.201
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Hg 2.976 4
2.161 4
2.5405 5
2.9136 6
2.5315 7
2 Hg 2.976 2
2.1344 5
2.5147 6
3 Sb 2.712 6
2.0008 4
1.977 5
1.9789 6
2.0416 7
1.977 5
1.9789 6
4 O 3.264 6
2.8907 5
2.7353 6
2.8604 7
2.9977 7
2.8907 5
2.7353 6
5 O 3.264 5
2.8907 4
2.7032 6
2.6332 6
2.8616 7
2.8807 5
6 O 3.264 5
2.7353 4
2.6332 5
2.7032 5
2.8227 7
2.8958 6
7 O 3.264 6
2.9977 4
2.8604 4
2.8616 5
2.8227 6
2.8616 5
2.8227 6
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 5.857 11.713 0.066 189.12 2 96.9 2279.4
2 0 1 1 8.76 17.519 0.099 83.3 4 40.1 343.0
3 1 1 0 9.67 19.341 0.109 67.96 4 124.0 2682.8
4 1 0 -1 11.409 22.818 0.128 48.22 2 566.5 19857.6
5 0 4 0 11.775 23.551 0.132 45.14 2 4.1 1.0
6 0 3 1 12.111 24.221 0.136 42.56 4 86.9 824.6
7 1 3 0 12.794 25.589 0.144 37.92 4 167.5 2730.7
8 1 2 -1 12.861 25.721 0.144 37.51 4 172.5 2864.0
9 1 0 1 13.345 26.691 0.15 34.69 2 595.1 15763.8
10 1 2 1 14.618 29.235 0.164 28.58 4 157.8 1825.7
11 1 4 -1 16.512 33.023 0.184 21.99 4 208.4 2450.4
12 0 0 2 16.677 33.355 0.186 21.52 2 598.0 9873.2
13 0 5 1 17.019 34.037 0.19 20.59 4 453.8 10881.3
14 1 5 0 17.526 35.053 0.195 19.31 4 462.9 10621.8
15 0 2 2 17.733 35.466 0.198 18.82 4 144.2 1005.0
16 0 6 0 17.825 35.65 0.199 18.61 2 101.9 248.0
17 1 4 1 17.945 35.889 0.2 18.34 4 173.9 1423.3
18 1 1 -2 18.091 36.182 0.202 18.02 4 151.8 1065.7
19 2 0 0 18.668 37.337 0.208 16.81 2 336.7 2446.7
20 2 1 -1 19.507 39.014 0.217 15.26 4 180.9 1281.2
21 2 2 0 19.631 39.262 0.218 15.05 4 200.0 1543.8
22 1 3 -2 20.024 40.049 0.222 14.4 4 175.2 1133.5
23 0 4 2 20.618 41.237 0.229 13.49 4 29.2 29.5
24 1 1 2 20.681 41.362 0.229 13.4 4 114.7 452.1
25 2 3 -1 21.332 42.663 0.236 12.5 4 250.8 2018.6
26 1 6 -1 21.375 42.749 0.237 12.44 4 39.2 49.2
27 2 1 1 21.956 43.912 0.243 11.72 4 180.7 982.2
28 2 4 0 22.31 44.619 0.246 11.3 4 334.0 3234.8
29 1 3 2 22.427 44.854 0.248 11.17 4 114.5 375.6
30 1 6 1 22.543 45.087 0.249 11.04 4 110.0 342.5
31 0 7 1 22.636 45.272 0.25 10.94 4 293.9 2424.8
32 1 7 0 23.039 46.077 0.254 10.51 4 235.5 1495.5
33 2 0 -2 23.305 46.61 0.257 10.24 2 316.1 1312.9
34 1 5 -2 23.492 46.984 0.259 10.06 4 420.7 4568.4
35 2 3 1 23.627 47.254 0.26 9.93 4 196.7 985.3
36 0 8 0 24.089 48.177 0.265 9.5 2 325.5 1291.7
37 2 2 -2 24.115 48.23 0.265 9.48 4 204.2 1014.2
38 2 5 -1 24.652 49.303 0.271 9.01 4 348.4 2808.0
39 0 6 2 24.809 49.618 0.272 8.88 4 95.0 205.6
40 1 5 2 25.636 51.273 0.281 8.24 4 405.3 3476.6
41 0 1 3 25.689 51.378 0.281 8.21 4 48.8 50.2
42 1 0 -3 25.82 51.64 0.283 8.11 2 418.3 1821.7
43 2 6 0 26.289 52.578 0.287 7.79 4 14.0 3.9
44 2 4 -2 26.433 52.867 0.289 7.69 4 316.0 1970.5
45 1 2 -3 26.573 53.146 0.29 7.6 4 175.2 598.5
46 2 5 1 26.727 53.454 0.292 7.5 4 345.8 2301.7
47 1 8 -1 26.972 53.945 0.294 7.34 4 292.6 1614.0
48 0 3 3 27.185 54.371 0.297 7.21 4 124.2 285.4
49 2 0 2 27.493 54.986 0.3 7.03 2 390.9 1379.0
50 1 8 1 27.963 55.925 0.304 6.77 4 264.5 1214.9
51 1 7 -2 28.066 56.133 0.305 6.71 4 214.5 792.4
52 2 2 2 28.215 56.43 0.307 6.63 4 137.0 319.3
53 3 0 -1 28.651 57.303 0.311 6.4 2 165.0 223.7
54 1 4 -3 28.75 57.499 0.312 6.35 4 184.8 556.7
55 0 9 1 28.755 57.51 0.312 6.35 4 93.0 140.9
56 1 0 3 28.804 57.608 0.313 6.33 2 506.7 2084.3
57 3 1 0 28.871 57.742 0.313 6.29 4 212.2 727.5
58 2 7 -1 29.095 58.189 0.316 6.18 4 125.8 251.1
59 1 9 0 29.095 58.19 0.316 6.18 4 200.7 639.3
60 3 2 -1 29.355 58.709 0.318 6.06 4 205.2 655.1
61 1 2 3 29.505 59.01 0.32 5.99 4 108.7 181.9
62 2 1 -3 29.862 59.725 0.323 5.83 4 161.2 389.0
63 0 8 2 29.93 59.86 0.324 5.8 4 275.1 1127.6
64 1 7 2 29.978 59.955 0.324 5.78 4 231.1 792.7
65 2 6 -2 30.015 60.03 0.325 5.77 4 36.3 19.5
66 0 5 3 30.025 60.05 0.325 5.76 4 436.2 2814.1
67 3 3 0 30.261 60.522 0.327 5.66 4 228.7 760.5
68 2 4 2 30.314 60.628 0.328 5.64 4 286.5 1188.2
69 0 10 0 30.676 61.353 0.331 5.49 2 266.2 499.4
70 2 7 1 30.966 61.932 0.334 5.38 4 142.9 282.0
71 2 3 -3 31.225 62.451 0.337 5.28 4 226.8 697.6
72 2 8 0 31.245 62.489 0.337 5.27 4 227.3 699.6
73 3 4 -1 31.406 62.812 0.338 5.22 4 362.5 1758.8
74 3 0 1 31.457 62.915 0.339 5.2 2 184.8 227.8
75 3 1 -2 31.503 63.005 0.339 5.18 4 203.7 551.5
76 1 4 3 31.55 63.101 0.34 5.16 4 119.5 189.3
77 3 2 1 32.124 64.247 0.345 4.96 4 178.9 407.9
78 1 6 -3 32.165 64.329 0.346 4.95 4 53.4 36.2
79 3 3 -2 32.827 65.653 0.352 4.74 4 253.2 779.5
80 3 5 0 32.936 65.871 0.353 4.7 4 149.3 269.0
81 1 10 -1 33.175 66.349 0.355 4.63 4 192.7 441.5
82 1 9 -2 33.502 67.003 0.358 4.54 4 203.6 482.8
83 2 6 2 33.636 67.271 0.36 4.5 4 25.6 7.6
84 2 5 -3 33.857 67.715 0.362 4.44 4 221.7 559.6
85 0 7 3 34.009 68.019 0.363 4.4 4 221.1 551.5
86 1 10 1 34.054 68.108 0.363 4.38 4 205.3 474.1
87 3 4 1 34.08 68.16 0.364 4.38 4 367.4 1516.8
88 2 9 -1 34.434 68.867 0.367 4.28 4 315.2 1092.4
89 2 8 -2 34.64 69.281 0.369 4.23 4 232.6 587.6
90 3 6 -1 34.671 69.342 0.369 4.23 4 34.9 13.2
91 1 6 3 34.808 69.616 0.371 4.19 4 90.6 88.3
92 1 1 -4 35.022 70.044 0.373 4.14 4 95.9 97.7
93 0 0 4 35.027 70.054 0.373 4.14 2 420.4 938.4
94 2 1 3 35.233 70.465 0.374 4.09 4 158.9 265.0
95 1 9 2 35.241 70.483 0.375 4.09 4 183.2 351.9
96 3 5 -2 35.397 70.794 0.376 4.05 4 102.5 109.3
97 0 11 1 35.398 70.797 0.376 4.05 4 38.3 15.3
98 0 2 4 35.659 71.318 0.378 3.99 4 140.4 202.0
99 1 11 0 35.703 71.406 0.379 3.98 4 99.3 100.8
100 0 10 2 35.829 71.657 0.38 3.96 4 208.9 443.1
101 2 9 1 36.153 72.306 0.383 3.89 4 297.4 882.5
102 1 3 -4 36.282 72.563 0.384 3.86 4 185.9 342.3
103 3 0 -3 36.401 72.803 0.385 3.84 2 117.2 67.7
104 2 3 3 36.489 72.978 0.386 3.82 4 132.6 172.4
105 1 8 -3 36.648 73.296 0.387 3.79 4 254.2 628.1
106 3 1 2 36.747 73.493 0.388 3.77 4 189.1 345.9
107 3 7 0 36.755 73.51 0.388 3.77 4 78.2 59.1
108 3 2 -3 37.024 74.048 0.391 3.72 4 205.5 402.8
109 2 10 0 37.034 74.068 0.391 3.71 4 117.9 132.6
110 3 6 1 37.23 74.46 0.393 3.68 4 46.7 20.6
111 0 4 4 37.529 75.058 0.395 3.62 4 39.7 14.7
112 2 7 -3 37.635 75.269 0.396 3.61 4 130.4 157.2
113 0 12 0 37.75 75.501 0.397 3.59 2 211.4 205.7
114 2 0 -4 37.779 75.558 0.398 3.58 2 266.2 325.6
115 3 3 2 37.984 75.967 0.399 3.55 4 187.0 318.4
116 2 8 2 38.039 76.078 0.4 3.54 4 223.1 451.8
117 2 2 -4 38.393 76.786 0.403 3.48 4 202.6 366.7
118 1 1 4 38.407 76.814 0.403 3.48 4 90.6 73.3
119 1 5 -4 38.752 77.505 0.406 3.43 4 327.5 942.8
120 3 4 -3 38.869 77.739 0.407 3.41 4 327.3 936.9
121 2 5 3 38.955 77.911 0.408 3.4 4 270.3 636.7
122 0 9 3 39.006 78.011 0.409 3.39 4 82.2 58.8
123 3 8 -1 39.026 78.052 0.409 3.39 4 187.0 304.0
124 3 7 -2 39.114 78.227 0.41 3.37 4 100.1 86.7
125 1 8 3 39.157 78.314 0.41 3.37 4 237.7 488.3
126 4 1 -1 39.508 79.016 0.413 3.32 4 211.9 382.4
127 1 3 4 39.627 79.254 0.414 3.3 4 57.6 28.1
128 1 11 -2 39.744 79.488 0.415 3.29 4 133.8 151.1
129 4 0 0 39.805 79.611 0.416 3.28 2 31.0 4.0
130 1 12 -1 40.045 80.09 0.418 3.25 4 198.4 328.1
131 2 10 -2 40.211 80.423 0.419 3.23 4 125.6 130.7
132 2 4 -4 40.219 80.438 0.419 3.23 4 264.7 580.2
133 4 2 0 40.411 80.822 0.421 3.2 4 193.7 308.5
134 3 5 2 40.42 80.84 0.421 3.2 4 180.1 266.8
135 0 6 4 40.578 81.157 0.422 3.19 4 72.5 43.0
136 2 11 -1 40.62 81.24 0.423 3.18 4 180.9 267.1
137 4 3 -1 40.719 81.437 0.423 3.17 4 200.5 326.9
138 1 12 1 40.866 81.732 0.425 3.15 4 214.3 371.6
139 4 0 -2 41.3 82.6 0.428 3.11 2 28.8 3.3
140 1 11 2 41.385 82.77 0.429 3.1 4 44.4 15.6
141 3 8 1 41.492 82.984 0.43 3.09 4 183.9 268.0
142 3 9 0 41.633 83.266 0.431 3.07 4 360.7 1026.1
143 3 6 -3 41.893 83.785 0.433 3.05 4 36.6 10.5
144 4 2 -2 41.901 83.801 0.434 3.05 4 209.6 343.4
145 1 5 4 42.039 84.078 0.435 3.03 4 331.1 853.9
146 1 10 -3 42.13 84.259 0.435 3.03 4 153.5 182.9
147 4 4 0 42.216 84.431 0.436 3.02 4 328.3 835.2
148 2 11 1 42.254 84.508 0.436 3.02 4 150.4 175.0
149 1 7 -4 42.377 84.755 0.438 3.0 4 172.5 229.4
150 2 9 -3 42.485 84.969 0.438 3.0 4 299.4 689.1
151 0 12 2 42.543 85.087 0.439 2.99 4 226.5 393.7
152 2 7 3 42.576 85.153 0.439 2.99 4 171.1 224.4
153 0 13 1 42.733 85.467 0.44 2.98 4 341.9 892.6
154 4 1 1 42.782 85.563 0.441 2.97 4 213.1 346.3
155 1 13 0 43.022 86.044 0.443 2.95 4 322.8 789.5
156 4 5 -1 43.119 86.239 0.444 2.94 4 44.7 15.1
157 2 6 -4 43.223 86.445 0.445 2.94 4 49.3 18.3
158 2 10 2 43.475 86.951 0.447 2.92 4 153.7 177.1
159 4 4 -2 43.696 87.392 0.448 2.9 4 306.9 701.9
160 2 12 0 43.698 87.395 0.448 2.9 4 151.1 170.2
161 3 1 -4 43.72 87.441 0.449 2.9 4 163.5 199.2
162 3 0 3 43.825 87.651 0.449 2.9 2 177.0 116.4
163 3 9 -2 43.927 87.854 0.45 2.89 4 346.8 891.8
164 4 3 1 43.977 87.954 0.451 2.89 4 190.8 269.6
165 3 7 2 44.019 88.037 0.451 2.88 4 66.2 32.4
166 2 0 4 44.34 88.68 0.454 2.86 2 352.4 456.3
167 3 2 3 44.422 88.844 0.454 2.86 4 140.2 144.3
168 3 10 -1 44.438 88.876 0.454 2.86 4 87.5 56.2
169 1 10 3 44.566 89.133 0.456 2.85 4 195.4 279.4
170 0 8 4 44.772 89.544 0.457 2.84 4 222.4 360.4
171 3 3 -4 44.914 89.828 0.458 2.83 4 227.1 374.8
172 2 2 4 44.937 89.873 0.458 2.83 4 96.3 67.3
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 5.857 11.713 7.549 2279.4 11.5 11.6 5.6
2 0 1 1 8.76 17.519 5.05797 343.0 1.7 1.7 5.6
3 1 1 0 9.67 19.341 4.58553 2682.8 13.5 13.5 5.6
4 1 0 -1 11.409 22.818 3.89399 19857.6 100.0 100.0 5.6
5 0 3 1 12.111 24.221 3.67152 824.6 4.2 4.1 5.6
6 1 3 0 12.794 25.589 3.47832 2730.7 13.8 13.7 5.6
7 1 2 -1 12.861 25.721 3.4607 2864.0 14.4 14.4 5.6
8 1 0 1 13.345 26.691 3.33714 15763.8 79.4 79.2 5.6
9 1 2 1 14.618 29.235 3.0522 1825.7 9.2 9.1 5.6
10 1 4 -1 16.512 33.023 2.71023 2450.4 12.3 12.2 5.6
11 0 0 2 16.677 33.355 2.68409 9873.2 49.7 49.3 5.7
12 0 5 1 17.019 34.037 2.63181 10881.3 54.8 54.3 5.7
13 1 5 0 17.526 35.053 2.55785 10621.8 53.5 53.0 5.7
14 0 2 2 17.733 35.466 2.52899 1005.0 5.1 5.0 5.7
15 0 6 0 17.825 35.65 2.51633 248.0 1.2 1.2 5.7
16 1 4 1 17.945 35.889 2.50011 1423.3 7.2 7.1 5.7
17 1 1 -2 18.091 36.182 2.48056 1065.7 5.4 5.3 5.7
18 2 0 0 18.668 37.337 2.40644 2446.7 12.3 12.2 5.7
19 2 1 -1 19.507 39.014 2.30678 1281.2 6.5 6.4 5.7
20 2 2 0 19.631 39.262 2.29276 1543.8 7.8 7.7 5.7
21 1 3 -2 20.024 40.049 2.24953 1133.5 5.7 5.6 5.7
22 1 1 2 20.681 41.362 2.18109 452.1 2.3 2.2 5.7
23 2 3 -1 21.332 42.663 2.11752 2018.6 10.2 10.0 5.7
24 2 1 1 21.956 43.912 2.06014 982.2 4.9 4.9 5.7
25 2 4 0 22.31 44.619 2.02913 3234.8 16.3 16.0 5.7
26 1 3 2 22.427 44.854 2.01905 375.6 1.9 1.9 5.7
27 1 6 1 22.543 45.087 2.00916 342.5 1.7 1.7 5.7
28 0 7 1 22.636 45.272 2.00136 2424.8 12.2 12.0 5.7
29 1 7 0 23.039 46.077 1.96825 1495.5 7.5 7.4 5.7
30 2 0 -2 23.305 46.61 1.94699 1312.9 6.6 6.5 5.7
31 1 5 -2 23.492 46.984 1.93237 4568.4 23.0 22.5 5.7
32 2 3 1 23.627 47.254 1.92197 985.3 5.0 4.9 5.7
33 0 8 0 24.089 48.177 1.88725 2305.9 11.6 11.3 5.7
34 2 5 -1 24.652 49.303 1.84675 2808.0 14.1 13.8 5.7
35 0 6 2 24.809 49.618 1.83576 205.6 1.0 1.0 5.7
36 1 5 2 25.636 51.273 1.78034 3476.6 17.5 17.0 5.8
37 1 0 -3 25.82 51.64 1.76855 1821.7 9.2 8.9 5.8
38 2 4 -2 26.433 52.867 1.73035 1970.5 9.9 9.6 5.8
39 1 2 -3 26.573 53.146 1.72193 598.5 3.0 2.9 5.8
40 2 5 1 26.727 53.454 1.71271 2301.7 11.6 11.2 5.8
41 1 8 -1 26.972 53.945 1.6983 1614.0 8.1 7.9 5.8
42 0 3 3 27.185 54.371 1.68599 285.4 1.4 1.4 5.8
43 2 0 2 27.493 54.986 1.66857 1379.0 6.9 6.7 5.8
44 1 8 1 27.963 55.925 1.64275 1214.9 6.1 5.9 5.8
45 1 7 -2 28.066 56.133 1.63717 792.4 4.0 3.9 5.8
46 2 2 2 28.215 56.43 1.62924 319.3 1.6 1.6 5.8
47 3 0 -1 28.651 57.303 1.6065 223.7 1.1 1.1 5.8
48 1 4 -3 28.75 57.499 1.60147 697.7 3.5 3.4 5.8
49 1 0 3 28.804 57.608 1.59872 2084.3 10.5 10.1 5.8
50 3 1 0 28.871 57.742 1.59531 727.5 3.7 3.5 5.8
51 1 9 0 29.095 58.19 1.58409 890.4 4.5 4.3 5.8
52 3 2 -1 29.355 58.709 1.57131 655.1 3.3 3.2 5.8
53 2 1 -3 29.862 59.725 1.54701 389.0 2.0 1.9 5.8
54 0 8 2 29.93 59.86 1.54382 1127.6 5.7 5.5 5.8
55 1 7 2 29.978 59.955 1.5416 792.7 4.0 3.8 5.8
56 0 5 3 30.025 60.05 1.5394 2833.6 14.3 13.7 5.8
57 3 3 0 30.261 60.522 1.52851 760.5 3.8 3.7 5.8
58 2 4 2 30.314 60.628 1.5261 1188.2 6.0 5.7 5.8
59 0 10 0 30.676 61.353 1.5098 499.4 2.5 2.4 5.8
60 2 7 1 30.966 61.932 1.49706 282.0 1.4 1.4 5.8
61 2 8 0 31.245 62.489 1.48503 1397.2 7.0 6.7 5.8
62 3 4 -1 31.406 62.812 1.47818 1758.8 8.9 8.5 5.9
63 3 0 1 31.457 62.915 1.47601 227.8 1.1 1.1 5.9
64 3 1 -2 31.503 63.005 1.47411 551.5 2.8 2.7 5.9
65 3 2 1 32.124 64.247 1.44858 407.9 2.1 2.0 5.9
66 3 3 -2 32.827 65.653 1.42092 779.5 3.9 3.7 5.9
67 3 5 0 32.936 65.871 1.41675 269.0 1.4 1.3 5.9
68 1 10 -1 33.175 66.349 1.40769 441.5 2.2 2.1 5.9
69 1 9 -2 33.502 67.003 1.39554 482.8 2.4 2.3 5.9
70 2 5 -3 33.857 67.715 1.38259 559.6 2.8 2.7 5.9
71 0 7 3 34.009 68.019 1.37715 551.5 2.8 2.6 5.9
72 3 4 1 34.08 68.16 1.37465 1990.9 10.0 9.5 5.9
73 2 9 -1 34.434 68.867 1.36224 1092.4 5.5 5.2 5.9
74 2 8 -2 34.64 69.281 1.35512 587.6 3.0 2.8 5.9
75 0 0 4 35.027 70.054 1.34204 1036.1 5.2 4.9 5.9
76 1 9 2 35.241 70.483 1.33492 616.9 3.1 2.9 5.9
77 0 2 4 35.659 71.318 1.32133 202.0 1.0 1.0 5.9
78 0 10 2 35.829 71.657 1.3159 443.1 2.2 2.1 5.9
79 2 9 1 36.153 72.306 1.30569 882.5 4.4 4.2 5.9
80 1 3 -4 36.282 72.563 1.30169 342.3 1.7 1.6 6.0
81 1 8 -3 36.648 73.296 1.29048 628.1 3.2 3.0 6.0
82 3 1 2 36.747 73.493 1.28749 405.0 2.0 1.9 6.0
83 3 2 -3 37.024 74.048 1.27922 535.4 2.7 2.5 6.0
84 2 0 -4 37.779 75.558 1.25737 531.3 2.7 2.5 6.0
85 3 3 2 37.984 75.967 1.2516 318.4 1.6 1.5 6.0
86 2 8 2 38.039 76.078 1.25005 451.8 2.3 2.1 6.0
87 2 2 -4 38.393 76.786 1.24028 440.0 2.2 2.1 6.0
88 1 5 -4 38.752 77.505 1.23056 942.8 4.7 4.4 6.0
89 3 4 -3 38.869 77.739 1.22745 936.9 4.7 4.4 6.0
90 2 5 3 38.955 77.911 1.22517 636.7 3.2 3.0 6.0
91 3 8 -1 39.026 78.052 1.22331 362.8 1.8 1.7 6.0
92 1 8 3 39.157 78.314 1.21986 488.3 2.5 2.3 6.0
93 4 1 -1 39.508 79.016 1.21078 382.4 1.9 1.8 6.0
94 1 12 -1 40.045 80.09 1.19722 328.1 1.7 1.5 6.0
95 2 4 -4 40.219 80.438 1.19292 710.9 3.6 3.3 6.0
96 4 2 0 40.411 80.822 1.18822 575.3 2.9 2.7 6.1
97 2 11 -1 40.62 81.24 1.18316 267.1 1.3 1.2 6.1
98 4 3 -1 40.719 81.437 1.18079 326.9 1.6 1.5 6.1
99 1 12 1 40.866 81.732 1.17727 371.6 1.9 1.7 6.1
100 3 8 1 41.492 82.984 1.16266 268.0 1.3 1.2 6.1
101 3 9 0 41.633 83.266 1.15944 1026.1 5.2 4.8 6.1
102 4 2 -2 41.901 83.801 1.15339 354.0 1.8 1.6 6.1
103 1 5 4 42.039 84.078 1.15029 853.9 4.3 3.9 6.1
104 4 4 0 42.216 84.431 1.14638 835.2 4.2 3.9 6.1
105 1 7 -4 42.377 84.755 1.14283 229.4 1.2 1.1 6.1
106 2 9 -3 42.485 84.969 1.14049 689.1 3.5 3.2 6.1
107 0 12 2 42.543 85.087 1.13922 393.7 2.0 1.8 6.1
108 2 7 3 42.576 85.153 1.1385 224.4 1.1 1.0 6.1
109 0 13 1 42.733 85.467 1.13512 892.6 4.5 4.1 6.1
110 4 1 1 42.782 85.563 1.13409 346.3 1.7 1.6 6.1
111 1 13 0 43.022 86.044 1.12898 789.5 4.0 3.6 6.1
112 4 4 -2 43.696 87.392 1.11501 1071.4 5.4 4.9 6.2
113 3 9 -2 43.927 87.854 1.11032 891.8 4.5 4.1 6.2
114 4 3 1 43.977 87.954 1.10933 269.6 1.4 1.2 6.2
115 2 0 4 44.34 88.68 1.10211 456.3 2.3 2.1 6.2
116 3 2 3 44.422 88.844 1.10049 200.5 1.0 0.9 6.2
117 1 10 3 44.566 89.133 1.09768 279.4 1.4 1.3 6.2
118 0 8 4 44.772 89.544 1.09371 360.4 1.8 1.6 6.2
119 3 3 -4 44.914 89.828 1.09098 442.1 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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