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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PINCHITE
1, f-comancheite
Hg(5)Cl(2)O(4)
Orthorhombic I bam Z = 4
R =0.0030 NR =465
31 .10 .1995
Ref.Str.:
Hawtorne F.C., Cooper M., Sen Gupta P.K. (1994)
* Amer. Mineral., 79, 1199-1203
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.619 alpha = 90.0
b = 6.105 beta = 90.0
c = 11.71 gamma = 90.0
Unit cell volume (cub. angs.) = 830.64
Molar volume ( cub.cm/mol.) = 125.08
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1405 0.2145 0.0 0.0 Hg = 1.00
2 0.1618 0.5 0.25 0.0 Hg = 1.00
3 0.0 0.0 0.25 0.0 Hg = 1.00
4 0.1082 0.275 0.5 0.0 Cl = 1.00
5 0.144 0.199 0.1754 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1405 0.2145 0.0
2 2 0.1618 0.5 0.25
3 3 0.0 0.0 0.25
4 4 0.1082 0.275 0.5
5 5 0.144 0.199 0.1754
6 1 0.8595 0.7855 0.0
7 2 0.8382 0.5 0.25
8 4 0.8918 0.725 0.5
9 5 0.856 0.801 0.1754
10 1 0.3595 0.7145 0.0
11 2 0.3382 0.0 0.25
12 3 0.5 0.5 0.25
13 4 0.3918 0.775 0.5
14 5 0.356 0.699 0.1754
15 1 0.6405 0.2855 0.0
16 2 0.6618 0.0 0.25
17 4 0.6082 0.225 0.5
18 5 0.644 0.301 0.1754
19 2 0.1618 0.5 0.75
20 3 0.0 0.0 0.75
21 5 0.144 0.199 0.8246
22 2 0.8382 0.5 0.75
23 5 0.856 0.801 0.8246
24 2 0.3382 0.0 0.75
25 3 0.5 0.5 0.75
26 5 0.356 0.699 0.8246
27 2 0.6618 0.0 0.75
28 5 0.644 0.301 0.8246
29 1 0.3595 0.2855 0.5
30 4 0.3918 0.225 0.0
31 5 0.356 0.301 0.6754
32 1 0.6405 0.7145 0.5
33 4 0.6082 0.775 0.0
34 5 0.644 0.699 0.6754
35 1 0.1405 0.7855 0.5
36 4 0.1082 0.725 0.0
37 5 0.144 0.801 0.6754
38 1 0.8595 0.2145 0.5
39 4 0.8918 0.275 0.0
40 5 0.856 0.199 0.6754
41 5 0.356 0.301 0.3246
42 5 0.644 0.699 0.3246
43 5 0.144 0.801 0.3246
44 5 0.856 0.199 0.3246
X-ray density (g/cm cub.) = 9.1
MU (1/cm) = 1797.733 Mass attenuation coefficient (cm**2/g) = 197.644
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Hg 3.516 6
2.0565 5
2.0565 5
2.9206 4
3.1391 4
3.0119 4
2.9132 4
2 Hg 3.516 6
3.2932 4
2.0452 5
2.7075 5
3.2932 4
2.7075 5
2.0452 5
3 Hg 3.516 4
2.2447 5
2.2447 5
2.2447 5
2.2447 5
4 Cl 4.344 12
3.8518 5
3.7242 4
4.1948 4
3.8518 5
3.5403 5
3.8345 5
3.5729 5
3.6084 5
3.5403 5
3.8345 5
3.5729 5
3.6084 5
5 O 3.804 6
3.5403 4
3.5729 4
3.6084 4
3.0835 5
2.9927 5
3.7749 5
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 0 2 7.56 15.119 0.085 112.6 2 231.0 1741.8
2 2 0 0 7.619 15.239 0.086 110.81 2 82.0 215.8
3 1 1 0 8.194 16.388 0.093 95.51 4 73.1 295.7
4 2 0 2 10.765 21.53 0.121 54.42 4 97.0 297.1
5 1 1 2 11.184 22.368 0.126 50.27 8 65.2 247.6
6 2 1 1 11.215 22.43 0.126 49.98 8 461.5 12343.0
7 3 1 0 13.623 27.246 0.153 33.21 4 675.8 8794.0
8 0 2 0 14.616 29.233 0.164 28.59 2 132.9 146.3
9 0 0 4 15.255 30.51 0.171 26.08 2 1387.7 14561.6
10 4 0 0 15.378 30.755 0.172 25.64 2 721.6 3870.5
11 1 2 1 15.609 31.218 0.175 24.83 8 215.1 1332.3
12 2 1 3 15.614 31.227 0.175 24.81 8 308.8 2743.1
13 3 1 2 15.651 31.303 0.175 24.69 8 857.7 21058.4
14 0 2 2 16.534 33.067 0.185 21.93 4 1290.0 21155.0
15 2 2 0 16.562 33.125 0.185 21.84 4 115.2 168.0
16 2 0 4 17.136 34.272 0.191 20.29 4 43.6 22.3
17 4 0 2 17.219 34.437 0.192 20.07 4 463.1 2496.1
18 1 1 4 17.412 34.824 0.194 19.59 8 40.5 37.3
19 4 1 1 17.514 35.028 0.195 19.34 8 246.8 1366.1
20 2 2 2 18.298 36.595 0.204 17.57 8 31.1 19.7
21 1 2 3 19.095 38.19 0.212 16.0 8 143.7 383.1
22 3 2 1 19.145 38.29 0.213 15.9 8 137.6 349.4
23 3 1 4 20.679 41.359 0.229 13.4 8 645.7 6478.1
24 4 1 3 20.721 41.441 0.23 13.34 8 181.5 509.6
25 5 1 0 20.774 41.547 0.23 13.26 4 44.3 15.1
26 0 2 4 21.381 42.762 0.237 12.44 4 220.7 351.3
27 4 2 0 21.473 42.945 0.238 12.32 4 488.1 1701.3
28 4 0 4 21.936 43.871 0.242 11.74 4 550.8 2064.9
29 2 1 5 22.111 44.221 0.244 11.53 8 421.7 2377.7
30 3 2 3 22.152 44.304 0.245 11.48 8 102.5 139.8
31 5 1 2 22.228 44.455 0.246 11.4 8 80.2 85.0
32 1 3 0 22.599 45.198 0.249 10.98 4 207.0 272.7
33 2 2 4 22.826 45.651 0.252 10.73 8 85.8 91.7
34 4 2 2 22.891 45.782 0.252 10.66 8 484.7 2904.2
35 0 0 6 23.246 46.492 0.256 10.3 2 75.3 16.9
36 6 0 0 23.439 46.878 0.258 10.11 2 949.7 2642.7
37 1 3 2 23.965 47.929 0.264 9.61 8 118.1 155.4
38 2 3 1 23.98 47.961 0.264 9.6 8 301.2 1009.5
39 2 0 6 24.605 49.209 0.27 9.05 4 112.4 66.3
40 6 0 2 24.769 49.538 0.272 8.92 4 505.5 1321.1
41 1 1 6 24.811 49.622 0.272 8.88 8 79.6 65.2
42 1 2 5 24.823 49.646 0.273 8.87 8 193.5 385.4
43 5 2 1 24.946 49.891 0.274 8.77 8 214.5 468.2
44 6 1 1 24.99 49.979 0.274 8.74 8 328.8 1095.5
45 3 3 0 25.314 50.629 0.278 8.49 4 966.4 4594.5
46 4 1 5 26.163 52.326 0.286 7.87 8 221.5 447.8
47 5 1 4 26.207 52.414 0.287 7.84 8 46.3 19.5
48 2 3 3 26.551 53.101 0.29 7.61 8 236.5 493.8
49 3 3 2 26.575 53.15 0.29 7.6 8 472.0 1962.2
50 4 2 4 26.796 53.591 0.293 7.45 8 382.7 1266.2
51 3 1 6 27.362 54.724 0.298 7.11 8 761.6 4780.4
52 3 2 5 27.374 54.747 0.298 7.1 8 124.3 127.3
53 5 2 3 27.45 54.9 0.299 7.06 8 150.3 184.9
54 6 1 3 27.491 54.982 0.3 7.03 8 249.5 507.7
55 1 3 4 27.757 55.514 0.302 6.88 8 147.2 172.9
56 4 3 1 27.828 55.656 0.303 6.84 8 167.9 223.6
57 0 2 6 27.934 55.868 0.304 6.78 4 1181.2 5485.4
58 6 2 0 28.103 56.206 0.306 6.69 4 442.6 759.7
59 4 0 6 28.391 56.783 0.309 6.54 4 485.5 893.3
60 6 0 4 28.484 56.969 0.31 6.49 4 829.4 2587.4
61 7 1 0 28.745 57.49 0.312 6.36 4 40.1 5.9
62 2 2 6 29.134 58.268 0.316 6.17 8 48.1 16.6
63 6 2 2 29.281 58.561 0.317 6.1 8 792.7 4442.5
64 2 1 7 29.703 59.406 0.322 5.9 8 344.9 814.4
65 7 1 2 29.906 59.812 0.324 5.81 8 156.2 164.5
66 3 3 4 30.136 60.272 0.326 5.72 8 843.2 4711.1
67 4 3 3 30.168 60.335 0.326 5.7 8 139.2 128.0
68 5 3 0 30.208 60.416 0.327 5.69 4 112.6 41.8
69 0 4 0 30.311 60.621 0.328 5.64 2 985.6 1588.8
70 1 4 1 30.881 61.762 0.333 5.41 8 302.6 574.6
71 2 3 5 31.244 62.487 0.337 5.28 8 282.4 487.7
72 5 3 2 31.336 62.672 0.338 5.24 8 19.4 2.3
73 0 4 2 31.436 62.873 0.339 5.2 4 316.0 301.2
74 2 4 0 31.454 62.908 0.339 5.2 4 19.7 1.2
75 0 0 8 31.752 63.503 0.342 5.09 2 1072.5 1697.9
76 1 2 7 31.954 63.908 0.344 5.02 8 157.3 144.0
77 8 0 0 32.03 64.059 0.344 5.0 2 472.7 323.6
78 5 1 6 32.048 64.096 0.344 4.99 8 76.6 33.9
79 5 2 5 32.058 64.116 0.345 4.99 8 201.9 235.7
80 6 1 5 32.096 64.191 0.345 4.97 8 309.5 552.4
81 7 2 1 32.162 64.324 0.346 4.95 8 40.6 9.5
82 2 4 2 32.557 65.115 0.349 4.82 8 57.9 18.8
83 4 2 6 32.568 65.136 0.349 4.82 8 489.7 1339.7
84 6 2 4 32.654 65.308 0.35 4.79 8 457.8 1164.6
85 2 0 8 32.867 65.733 0.352 4.73 4 31.4 2.7
86 1 1 8 33.038 66.076 0.354 4.67 8 29.2 4.6
87 1 4 3 33.089 66.177 0.354 4.66 8 232.7 292.6
88 4 1 7 33.102 66.204 0.355 4.65 8 185.2 185.1
89 8 0 2 33.123 66.245 0.355 4.65 4 229.5 141.9
90 3 4 1 33.123 66.246 0.355 4.65 8 199.8 215.0
91 7 1 4 33.243 66.485 0.356 4.61 8 13.7 1.0
92 8 1 1 33.306 66.613 0.356 4.59 8 354.2 668.2
93 1 3 6 33.426 66.851 0.358 4.56 8 151.6 121.4
94 6 3 1 33.574 67.148 0.359 4.52 8 226.3 268.1
95 6 0 6 34.08 68.16 0.364 4.38 4 387.3 380.6
96 3 2 7 34.158 68.316 0.364 4.36 8 104.6 55.3
97 7 2 3 34.325 68.651 0.366 4.31 8 41.8 8.7
98 4 3 5 34.558 69.117 0.368 4.25 8 156.5 120.8
99 5 3 4 34.596 69.192 0.369 4.24 8 95.4 44.8
100 0 4 4 34.692 69.383 0.369 4.22 4 911.2 2031.1
101 4 4 0 34.758 69.516 0.37 4.2 4 341.1 283.6
102 3 1 8 35.208 70.415 0.374 4.1 8 538.7 1378.3
103 3 4 3 35.257 70.514 0.375 4.08 8 164.1 127.6
104 8 1 3 35.435 70.87 0.376 4.04 8 286.0 383.4
105 3 3 6 35.584 71.168 0.378 4.01 8 356.4 590.4
106 6 3 3 35.695 71.39 0.379 3.99 8 187.9 163.1
107 0 2 8 35.705 71.41 0.379 3.98 4 205.4 97.4
108 2 4 4 35.76 71.521 0.379 3.97 8 13.9 0.9
109 4 4 2 35.81 71.62 0.38 3.96 8 234.6 252.7
110 8 2 0 35.968 71.936 0.381 3.93 4 233.9 124.5
111 4 0 8 36.106 72.211 0.383 3.9 4 433.5 424.7
112 8 0 4 36.302 72.604 0.384 3.86 4 407.8 371.8
113 2 2 8 36.761 73.523 0.388 3.77 8 68.1 20.3
114 7 3 0 36.788 73.576 0.389 3.76 4 350.4 267.6
115 8 2 2 37.005 74.01 0.391 3.72 8 369.9 589.9
116 1 4 5 37.303 74.607 0.393 3.66 8 287.5 351.1
117 5 4 1 37.4 74.801 0.394 3.65 8 321.9 438.3
118 9 1 0 37.579 75.157 0.396 3.62 4 546.7 626.6
119 2 3 7 37.635 75.271 0.396 3.61 8 243.4 247.7
120 7 3 2 37.817 75.633 0.398 3.57 8 147.4 90.0
121 6 2 6 37.919 75.838 0.399 3.56 8 754.4 2347.4
122 2 1 9 38.292 76.583 0.402 3.5 8 264.1 282.8
123 5 2 7 38.385 76.771 0.403 3.48 8 168.5 114.6
124 6 1 7 38.42 76.84 0.403 3.48 8 264.3 281.5
125 7 1 6 38.472 76.944 0.404 3.47 8 165.3 109.8
126 7 2 5 38.481 76.963 0.404 3.47 8 37.2 5.6
127 9 1 2 38.6 77.2 0.405 3.45 8 578.7 1339.0
128 4 4 4 38.896 77.791 0.408 3.4 8 308.4 375.4
129 1 5 0 39.371 78.741 0.412 3.34 4 199.7 77.1
130 3 4 5 39.374 78.748 0.412 3.34 8 189.6 139.0
131 5 1 8 39.391 78.781 0.412 3.33 8 40.2 6.3
132 5 4 3 39.438 78.875 0.412 3.33 8 249.9 241.0
133 8 1 5 39.545 79.091 0.413 3.31 8 337.0 436.2
134 5 3 6 39.752 79.504 0.415 3.29 8 5.8 0.1
135 6 3 5 39.796 79.592 0.415 3.28 8 214.6 175.2
136 0 4 6 39.843 79.686 0.416 3.27 4 264.0 132.3
137 4 2 8 39.869 79.738 0.416 3.27 8 309.0 362.1
138 6 4 0 39.986 79.971 0.417 3.26 4 669.9 847.1
139 8 2 4 40.059 80.118 0.418 3.25 8 193.9 141.6
140 1 2 9 40.313 80.626 0.42 3.22 8 119.7 53.4
141 1 5 2 40.378 80.757 0.421 3.21 8 171.3 109.2
142 2 5 1 40.39 80.78 0.421 3.21 8 115.9 50.0
143 9 2 1 40.629 81.257 0.423 3.18 8 170.2 106.8
144 1 3 8 40.663 81.326 0.423 3.18 8 115.3 49.0
145 4 3 7 40.722 81.444 0.423 3.17 8 138.0 70.0
146 7 3 4 40.852 81.705 0.425 3.15 8 283.7 294.4
147 2 4 6 40.864 81.728 0.425 3.15 8 57.4 12.1
148 8 3 1 40.911 81.823 0.425 3.15 8 260.7 248.1
149 6 4 2 40.99 81.98 0.426 3.14 8 463.0 780.2
150 0 0 10 41.132 82.264 0.427 3.12 2 119.5 12.9
151 6 0 8 41.274 82.547 0.428 3.11 4 696.5 874.4
152 4 1 9 41.365 82.73 0.429 3.1 8 147.7 78.4
153 8 0 6 41.384 82.767 0.429 3.1 4 250.4 112.6
154 3 5 0 41.412 82.824 0.429 3.1 4 243.0 105.9
155 10 0 0 41.525 83.05 0.43 3.08 2 381.0 129.7
156 9 1 4 41.62 83.24 0.431 3.07 8 527.8 992.9
157 2 0 10 42.146 84.293 0.436 3.02 4 78.0 10.7
158 1 1 10 42.304 84.607 0.437 3.01 8 53.8 10.1
159 3 2 9 42.344 84.689 0.437 3.01 8 83.9 24.5
160 2 5 3 42.39 84.78 0.438 3.0 8 115.2 46.3
161 3 5 2 42.409 84.819 0.438 3.0 8 799.1 2222.7
162 10 0 2 42.522 85.044 0.439 2.99 4 136.0 32.1
163 9 2 3 42.626 85.252 0.44 2.98 8 130.0 58.5
164 10 1 1 42.691 85.382 0.44 2.98 8 176.8 107.9
165 3 3 8 42.692 85.383 0.44 2.98 8 711.0 1745.8
166 8 3 3 42.907 85.813 0.442 2.96 8 225.7 174.9
167 1 4 7 43.345 86.689 0.446 2.93 8 248.3 209.4
168 1 5 4 43.373 86.745 0.446 2.93 8 154.9 81.4
169 4 5 1 43.431 86.862 0.446 2.92 8 79.6 21.5
170 5 4 5 43.438 86.877 0.446 2.92 8 310.5 326.7
171 7 4 1 43.532 87.064 0.447 2.92 8 66.6 15.0
172 4 4 6 43.9 87.799 0.45 2.89 8 232.0 180.4
173 6 4 4 43.978 87.955 0.451 2.89 8 630.7 1331.0
174 3 1 10 44.322 88.644 0.454 2.86 8 607.3 1225.0
175 7 2 7 44.487 88.975 0.455 2.86 8 35.8 4.3
176 10 1 3 44.677 89.354 0.456 2.85 8 151.7 75.9
177 0 2 10 44.792 89.584 0.457 2.84 4 926.8 1413.6
178 6 2 8 44.933 89.865 0.458 2.83 8 408.6 548.2
179 9 3 0 44.958 89.916 0.459 2.83 4 584.4 560.5
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 0 2 7.56 15.119 5.855 1741.8 8.2 8.3 5.6
2 2 0 0 7.619 15.239 5.8095 215.8 1.0 1.0 5.6
3 1 1 0 8.194 16.388 5.40439 295.7 1.4 1.4 5.6
4 2 0 2 10.765 21.53 4.12393 297.1 1.4 1.4 5.6
5 1 1 2 11.184 22.368 3.97124 247.6 1.2 1.2 5.6
6 2 1 1 11.215 22.43 3.96051 12343.0 58.3 58.8 5.6
7 3 1 0 13.623 27.246 3.27041 8794.0 41.6 41.8 5.6
8 0 0 4 15.255 30.51 2.9275 14561.6 68.8 69.0 5.6
9 4 0 0 15.378 30.755 2.90475 3870.5 18.3 18.3 5.6
10 2 1 3 15.614 31.227 2.86189 4075.5 19.3 19.3 5.6
11 3 1 2 15.651 31.303 2.85519 21058.4 99.5 99.7 5.6
12 0 2 2 16.534 33.067 2.70673 21155.0 100.0 100.0 5.6
13 4 0 2 17.219 34.437 2.60212 2496.1 11.8 11.8 5.7
14 4 1 1 17.514 35.028 2.55956 1366.1 6.5 6.4 5.7
15 1 2 3 19.095 38.19 2.35465 383.1 1.8 1.8 5.7
16 3 2 1 19.145 38.29 2.34868 349.4 1.7 1.6 5.7
17 3 1 4 20.679 41.359 2.18125 6478.1 30.6 30.4 5.7
18 4 1 3 20.721 41.441 2.17709 509.6 2.4 2.4 5.7
19 0 2 4 21.381 42.762 2.11286 351.3 1.7 1.6 5.7
20 4 2 0 21.473 42.945 2.10426 1701.3 8.0 8.0 5.7
21 4 0 4 21.936 43.871 2.06196 2064.9 9.8 9.7 5.7
22 2 1 5 22.111 44.221 2.04646 2377.7 11.2 11.1 5.7
23 1 3 0 22.599 45.198 2.00449 272.7 1.3 1.3 5.7
24 4 2 2 22.891 45.782 1.98026 2904.2 13.7 13.6 5.7
25 6 0 0 23.439 46.878 1.9365 2642.7 12.5 12.3 5.7
26 2 3 1 23.98 47.961 1.89526 1165.0 5.5 5.4 5.7
27 6 0 2 24.769 49.538 1.83855 1321.1 6.2 6.1 5.7
28 1 2 5 24.823 49.646 1.8348 450.6 2.1 2.1 5.7
29 5 2 1 24.946 49.891 1.82636 468.2 2.2 2.2 5.7
30 6 1 1 24.99 49.979 1.82335 1095.5 5.2 5.1 5.7
31 3 3 0 25.314 50.629 1.80146 4594.5 21.7 21.3 5.8
32 4 1 5 26.163 52.326 1.74697 447.8 2.1 2.1 5.8
33 3 3 2 26.575 53.15 1.72181 2456.0 11.6 11.4 5.8
34 4 2 4 26.796 53.591 1.70866 1266.2 6.0 5.9 5.8
35 3 1 6 27.362 54.724 1.67593 4907.7 23.2 22.7 5.8
36 6 1 3 27.491 54.982 1.66869 507.7 2.4 2.3 5.8
37 4 3 1 27.828 55.656 1.65006 223.6 1.1 1.0 5.8
38 0 2 6 27.934 55.868 1.64431 5485.4 25.9 25.3 5.8
39 6 2 0 28.103 56.206 1.6352 759.7 3.6 3.5 5.8
40 4 0 6 28.391 56.783 1.61997 893.3 4.2 4.1 5.8
41 6 0 4 28.484 56.969 1.61512 2587.4 12.2 11.9 5.8
42 6 2 2 29.281 58.561 1.57494 4442.5 21.0 20.4 5.8
43 2 1 7 29.703 59.406 1.55455 814.4 3.8 3.7 5.8
44 3 3 4 30.136 60.272 1.53425 4711.1 22.3 21.6 5.8
45 0 4 0 30.311 60.621 1.52625 1588.8 7.5 7.3 5.8
46 1 4 1 30.881 61.762 1.50077 574.6 2.7 2.6 5.8
47 2 3 5 31.244 62.487 1.48508 487.7 2.3 2.2 5.8
48 0 4 2 31.436 62.873 1.4769 302.4 1.4 1.4 5.9
49 0 0 8 31.752 63.503 1.46375 1697.9 8.0 7.7 5.9
50 8 0 0 32.03 64.059 1.45238 593.2 2.8 2.7 5.9
51 6 1 5 32.096 64.191 1.44971 552.4 2.6 2.5 5.9
52 4 2 6 32.568 65.136 1.43095 1358.5 6.4 6.2 5.9
53 6 2 4 32.654 65.308 1.4276 1164.6 5.5 5.3 5.9
54 1 4 3 33.089 66.177 1.41093 477.6 2.3 2.2 5.9
55 3 4 1 33.123 66.246 1.40964 356.9 1.7 1.6 5.9
56 8 1 1 33.306 66.613 1.40277 668.2 3.2 3.0 5.9
57 6 3 1 33.574 67.148 1.39288 268.1 1.3 1.2 5.9
58 6 0 6 34.08 68.16 1.37464 380.6 1.8 1.7 5.9
59 0 4 4 34.692 69.383 1.35337 2031.1 9.6 9.2 5.9
60 4 4 0 34.758 69.516 1.3511 283.6 1.3 1.3 5.9
61 3 1 8 35.208 70.415 1.33604 1378.3 6.5 6.2 5.9
62 8 1 3 35.435 70.87 1.32858 383.4 1.8 1.7 5.9
63 3 3 6 35.584 71.168 1.32375 590.4 2.8 2.7 5.9
64 6 3 3 35.695 71.39 1.32017 260.5 1.2 1.2 5.9
65 4 4 2 35.81 71.62 1.3165 252.7 1.2 1.1 5.9
66 4 0 8 36.106 72.211 1.30716 424.7 2.0 1.9 5.9
67 8 0 4 36.302 72.604 1.30106 371.8 1.8 1.7 6.0
68 7 3 0 36.788 73.576 1.28625 287.8 1.4 1.3 6.0
69 8 2 2 37.005 74.01 1.27978 589.9 2.8 2.6 6.0
70 1 4 5 37.303 74.607 1.27101 351.1 1.7 1.6 6.0
71 5 4 1 37.4 74.801 1.2682 438.3 2.1 2.0 6.0
72 9 1 0 37.579 75.157 1.26307 626.6 3.0 2.8 6.0
73 2 3 7 37.635 75.271 1.26144 247.7 1.2 1.1 6.0
74 6 2 6 37.919 75.838 1.25341 2347.4 11.1 10.5 6.0
75 2 1 9 38.292 76.583 1.24306 282.8 1.3 1.3 6.0
76 6 1 7 38.42 76.84 1.23955 281.5 1.3 1.3 6.0
77 9 1 2 38.6 77.2 1.23467 1339.0 6.3 6.0 6.0
78 4 4 4 38.896 77.791 1.22675 375.4 1.8 1.7 6.0
79 3 4 5 39.374 78.748 1.21422 222.4 1.1 1.0 6.0
80 5 4 3 39.438 78.875 1.21258 241.0 1.1 1.1 6.0
81 8 1 5 39.545 79.091 1.20982 436.2 2.1 1.9 6.0
82 4 2 8 39.869 79.738 1.20162 494.5 2.3 2.2 6.0
83 6 4 0 39.986 79.971 1.1987 847.1 4.0 3.7 6.0
84 7 3 4 40.852 81.705 1.1776 306.4 1.4 1.3 6.1
85 8 3 1 40.911 81.823 1.1762 248.1 1.2 1.1 6.1
86 6 4 2 40.99 81.98 1.17434 780.2 3.7 3.4 6.1
87 6 0 8 41.274 82.547 1.1677 874.4 4.1 3.8 6.1
88 8 0 6 41.384 82.767 1.16515 296.9 1.4 1.3 6.1
89 9 1 4 41.62 83.24 1.15973 992.9 4.7 4.4 6.1
90 3 5 2 42.409 84.819 1.14213 2268.9 10.7 9.9 6.1
91 3 3 8 42.692 85.383 1.13602 1853.7 8.8 8.1 6.1
92 1 4 7 43.345 86.689 1.12223 290.8 1.4 1.3 6.1
93 5 4 5 43.438 86.877 1.12029 348.1 1.6 1.5 6.1
94 6 4 4 43.978 87.955 1.10931 1331.0 6.3 5.8 6.2
95 3 1 10 44.322 88.644 1.10246 1225.0 5.8 5.3 6.2
96 0 2 10 44.792 89.584 1.09331 1413.6 6.7 6.1 6.2
97 9 3 0 44.958 89.916 1.09014 1108.6 5.2 4.8 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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