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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HANSBLOCKITE
1
(Cu,Hg)(Bi,Pb)Se(2)
Monoclinic P 2(1)/c Z = 4
R =0.0314 NR =713
8 .12 .16
Ref.Str.:
H.-J. Forster, L. Bindi, C.J. Stanley, G. Grundmann (2016)
* Mineral. Mag., DOI: 10.1180/minmag.2016.080.115
L: $Cu0.68 Hg0.27 Ag0.03 Ni0.01 Bi0.69 Pb0.31 Se2.01$
R: Locality - the El Dragon mine, Department of Potosi, Bolivia.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.853 alpha = 90.0
b = 7.635 beta = 97.68
c = 7.264 gamma = 90.0
Unit cell volume (cub. angs.) = 376.66
Molar volume ( cub.cm/mol.) = 56.72
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0709 0.663 0.0531 0.0 Cu = 0.71, Hg = 0.29
2 0.3087 0.0502 0.2005 0.0 Bi = 0.7 , Pb = 0.3
3 0.0951 0.3895 0.2764 0.0 Se = 1.00
4 0.5869 0.2728 0.001 0.0 Se = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0709 0.663 0.0531
2 2 0.3087 0.0502 0.2005
3 3 0.0951 0.3895 0.2764
4 4 0.5869 0.2728 0.001
5 1 0.9291 0.163 0.4469
6 2 0.6913 0.5502 0.2995
7 3 0.9049 0.8895 0.2236
8 4 0.4131 0.7728 0.499
9 1 0.0709 0.837 0.5531
10 2 0.3087 0.4498 0.7005
11 3 0.0951 0.1105 0.7764
12 4 0.5869 0.2272 0.501
13 1 0.9291 0.337 0.9469
14 2 0.6913 0.9498 0.7995
15 3 0.9049 0.6105 0.7236
16 4 0.4131 0.7272 0.999
X-ray density (g/cm cub.) = 8.28
MU (1/cm) = 1391.16 Mass attenuation coefficient (cm**2/g) = 168.028
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu ,Hg 3.66 4
2.6357 3
2.489 3
2.5408 3
2.478 4
2 Bi ,Pb 3.828 7
3.0617 3
3.0597 4
3.0521 3
3.047 4
3.2618 3
3.0189 4
3.0025 4
3 Se 4.632 12
4.2376 4
3.8811 4
4.0356 3
4.0356 3
3.8712 4
4.2106 3
4.2106 3
3.7532 4
4.2244 4
4.0287 3
4.3899 3
4.0781 4
4 Se 4.632 10
3.8811 3
4.2376 3
3.8712 3
4.2244 3
3.7532 3
3.6486 4
3.6486 4
4.0781 3
3.6675 4
4.3321 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 6.512 13.025 0.074 152.51 2 31.1 207.8
2 0 1 1 8.457 16.914 0.095 89.53 4 7.4 13.9
3 1 1 0 8.731 17.462 0.099 83.86 4 9.1 19.4
4 1 1 -1 10.182 20.363 0.115 61.09 4 111.0 2122.6
5 1 1 1 11.201 22.402 0.126 50.11 4 250.3 8849.6
6 0 2 0 11.641 23.282 0.131 46.24 2 69.3 313.3
7 0 0 2 12.357 24.714 0.139 40.8 2 105.1 635.2
8 2 0 0 13.111 26.222 0.147 36.01 2 19.0 18.3
9 0 2 1 13.202 26.405 0.148 35.49 4 88.8 789.8
10 1 0 -2 13.204 26.407 0.148 35.48 2 169.6 1438.7
11 1 2 0 13.383 26.767 0.15 34.48 4 32.2 101.0
12 0 1 2 13.685 27.371 0.154 32.89 4 49.8 230.0
13 2 1 0 14.375 28.749 0.161 29.62 4 9.9 8.2
14 1 2 -1 14.392 28.785 0.161 29.55 4 231.4 4460.9
15 1 1 -2 14.46 28.92 0.162 29.25 4 93.7 723.5
16 1 0 2 14.788 29.576 0.166 27.88 2 163.8 1054.4
17 2 1 -1 14.955 29.91 0.168 27.22 4 367.6 10368.8
18 1 2 1 15.146 30.293 0.17 26.49 4 19.2 27.6
19 1 1 2 15.93 31.859 0.178 23.77 4 302.3 6121.2
20 2 1 1 16.384 32.769 0.183 22.36 4 153.4 1483.7
21 2 0 -2 16.876 33.752 0.188 20.97 2 174.3 898.4
22 0 2 2 17.105 34.21 0.191 20.37 4 343.8 6787.6
23 2 2 0 17.673 35.347 0.197 18.96 4 236.3 2986.2
24 1 2 -2 17.744 35.489 0.198 18.8 4 182.3 1761.0
25 2 1 -2 17.899 35.797 0.199 18.44 4 93.1 450.8
26 2 2 -1 18.159 36.318 0.202 17.87 4 168.6 1431.8
27 0 3 1 18.725 37.449 0.208 16.7 4 211.0 2096.7
28 1 3 0 18.858 37.715 0.21 16.44 4 289.8 3894.0
29 1 2 2 18.988 37.975 0.211 16.2 4 7.8 2.8
30 2 2 1 19.379 38.759 0.215 15.48 4 69.5 210.6
31 2 0 2 19.39 38.781 0.216 15.46 2 297.2 1925.7
32 1 3 -1 19.613 39.227 0.218 15.08 4 236.0 2367.5
33 0 1 3 19.663 39.325 0.218 14.99 4 284.7 3426.8
34 3 0 0 19.892 39.785 0.221 14.61 2 243.5 1220.9
35 1 1 -3 19.944 39.889 0.221 14.53 4 104.0 443.1
36 1 3 1 20.194 40.388 0.224 14.13 4 121.3 585.7
37 2 1 2 20.303 40.607 0.225 13.96 4 82.1 265.2
38 2 2 -2 20.704 41.408 0.229 13.36 4 74.7 210.1
39 3 1 0 20.787 41.574 0.23 13.25 4 182.9 1249.1
40 3 1 -1 20.935 41.87 0.232 13.04 4 151.0 837.9
41 1 1 3 21.625 43.25 0.239 12.12 4 135.7 629.6
42 0 3 2 21.757 43.515 0.241 11.96 4 82.6 230.1
43 3 0 -2 22.146 44.292 0.245 11.49 2 145.2 341.7
44 2 3 0 22.224 44.448 0.246 11.4 4 141.2 640.4
45 0 2 3 22.281 44.562 0.246 11.33 4 95.8 293.0
46 1 3 -2 22.283 44.566 0.246 11.33 4 84.8 229.6
47 2 1 -3 22.4 44.8 0.247 11.2 4 205.7 1336.1
48 1 2 -3 22.536 45.072 0.249 11.05 4 282.1 2479.4
49 3 1 1 22.555 45.111 0.249 11.03 4 237.9 1759.2
50 2 3 -1 22.627 45.255 0.25 10.95 4 46.4 66.4
51 2 2 2 22.862 45.723 0.252 10.69 4 153.0 706.3
52 3 1 -2 22.969 45.939 0.253 10.58 4 237.4 1681.2
53 3 2 0 23.302 46.605 0.257 10.24 4 151.6 663.6
54 1 3 2 23.323 46.647 0.257 10.22 4 219.5 1389.0
55 3 2 -1 23.438 46.875 0.258 10.11 4 22.3 14.1
56 2 3 1 23.656 47.312 0.26 9.9 4 74.9 156.7
57 0 4 0 23.8 47.601 0.262 9.76 2 10.3 1.4
58 1 2 3 24.071 48.141 0.265 9.52 4 94.7 240.8
59 0 4 1 24.677 49.353 0.271 8.99 4 149.6 567.5
60 1 4 0 24.783 49.567 0.272 8.9 4 232.2 1353.5
61 2 2 -3 24.786 49.571 0.272 8.9 4 92.1 212.9
62 2 3 -2 24.796 49.591 0.272 8.89 4 50.3 63.3
63 3 2 1 24.93 49.859 0.274 8.79 4 274.0 1860.3
64 3 0 2 25.181 50.362 0.276 8.59 2 107.6 140.1
65 3 2 -2 25.314 50.628 0.278 8.49 4 241.3 1393.5
66 1 0 -4 25.333 50.665 0.278 8.47 2 144.3 248.7
67 0 0 4 25.341 50.682 0.278 8.47 2 271.3 878.5
68 1 4 -1 25.395 50.791 0.278 8.42 4 134.2 428.0
69 2 1 3 25.411 50.822 0.279 8.41 4 12.0 3.4
70 1 4 1 25.872 51.744 0.283 8.07 4 135.2 415.8
71 3 1 2 25.93 51.86 0.284 8.03 4 174.0 685.7
72 1 1 -4 26.079 52.157 0.285 7.93 4 31.4 22.0
73 0 1 4 26.087 52.174 0.285 7.92 4 135.0 407.0
74 0 3 3 26.18 52.36 0.286 7.86 4 17.2 6.5
75 1 3 -3 26.406 52.811 0.289 7.71 4 32.7 23.2
76 3 1 -3 26.551 53.101 0.29 7.61 4 94.8 192.9
77 2 3 2 26.696 53.392 0.292 7.52 4 139.8 414.3
78 4 0 0 26.979 53.959 0.294 7.34 2 122.2 154.4
79 3 3 0 27.09 54.18 0.296 7.27 4 66.4 90.3
80 0 4 2 27.18 54.359 0.297 7.22 4 42.0 35.9
81 2 0 -4 27.183 54.365 0.297 7.22 2 325.8 1079.7
82 1 0 4 27.206 54.412 0.297 7.2 2 103.3 108.3
83 3 3 -1 27.211 54.422 0.297 7.2 4 92.4 173.1
84 2 4 0 27.577 55.153 0.3 6.98 4 92.7 169.1
85 4 1 -1 27.588 55.176 0.301 6.98 4 158.3 492.7
86 2 2 3 27.602 55.204 0.301 6.97 4 203.6 814.3
87 1 4 -2 27.627 55.254 0.301 6.95 4 5.0 0.5
88 4 1 0 27.694 55.389 0.302 6.92 4 79.5 123.3
89 1 3 3 27.781 55.562 0.303 6.87 4 136.1 358.5
90 2 1 -4 27.894 55.788 0.304 6.8 4 86.3 143.0
91 1 1 4 27.917 55.834 0.304 6.79 4 50.6 49.0
92 2 4 -1 27.922 55.843 0.304 6.79 4 114.9 252.7
93 3 2 2 28.093 56.185 0.306 6.7 4 60.6 69.3
94 1 2 -4 28.233 56.467 0.307 6.62 4 129.5 312.8
95 0 2 4 28.241 56.482 0.307 6.62 4 26.6 13.2
96 4 0 -2 28.362 56.724 0.308 6.55 2 159.7 235.6
97 2 3 -3 28.429 56.858 0.309 6.52 4 243.2 1087.1
98 1 4 2 28.522 57.044 0.31 6.47 4 62.1 70.3
99 3 3 1 28.56 57.12 0.31 6.45 4 43.5 34.4
100 3 2 -3 28.681 57.362 0.312 6.39 4 156.2 439.3
101 2 4 1 28.811 57.622 0.313 6.32 4 253.7 1147.0
102 3 3 -2 28.91 57.82 0.314 6.27 4 30.4 16.3
103 4 1 -2 29.054 58.108 0.315 6.2 4 131.4 301.9
104 4 1 1 29.362 58.724 0.318 6.06 4 119.4 243.6
105 4 2 -1 29.668 59.337 0.321 5.92 4 61.9 64.0
106 4 2 0 29.77 59.54 0.322 5.87 4 65.3 70.6
107 2 4 -2 29.81 59.62 0.323 5.86 4 33.9 19.0
108 2 2 -4 29.961 59.921 0.324 5.79 4 4.3 0.3
109 1 2 4 29.983 59.965 0.324 5.78 4 224.6 821.8
110 3 1 3 30.539 61.077 0.33 5.55 4 215.4 726.0
111 3 0 -4 30.66 61.319 0.331 5.5 2 316.3 775.7
112 2 0 4 30.696 61.392 0.331 5.49 2 252.3 492.4
113 2 3 3 31.019 62.039 0.335 5.36 4 45.2 30.9
114 0 4 3 31.041 62.082 0.335 5.35 4 178.4 480.1
115 0 5 1 31.042 62.084 0.335 5.35 4 114.2 196.7
116 4 2 -2 31.072 62.144 0.335 5.34 4 119.0 213.2
117 1 5 0 31.133 62.267 0.336 5.32 4 202.8 616.5
118 1 4 -3 31.244 62.488 0.337 5.28 4 204.5 621.7
119 3 1 -4 31.32 62.64 0.337 5.25 4 12.7 2.4
120 2 1 4 31.356 62.712 0.338 5.23 4 81.2 97.3
121 4 2 1 31.368 62.736 0.338 5.23 4 190.6 535.8
122 3 3 2 31.476 62.953 0.339 5.19 4 163.8 392.7
123 2 4 2 31.505 63.01 0.339 5.18 4 100.9 148.7
124 1 3 -4 31.608 63.215 0.34 5.14 4 32.3 15.1
125 0 3 4 31.615 63.23 0.34 5.14 4 132.3 253.5
126 1 5 -1 31.662 63.324 0.341 5.12 4 34.0 16.7
127 4 0 2 31.792 63.585 0.342 5.08 2 205.8 303.2
128 3 4 0 31.86 63.721 0.343 5.05 4 65.8 61.7
129 4 1 -3 31.955 63.911 0.344 5.02 4 113.3 181.8
130 3 4 -1 31.97 63.94 0.344 5.02 4 332.6 1564.2
131 3 3 -3 32.026 64.053 0.344 5.0 4 14.3 2.9
132 1 5 1 32.077 64.153 0.345 4.98 4 39.7 22.1
133 4 1 2 32.44 64.88 0.348 4.86 4 68.4 64.2
134 1 4 3 32.487 64.975 0.349 4.84 4 214.8 630.0
135 3 2 3 32.502 65.004 0.349 4.84 4 21.5 6.3
136 1 1 -5 32.775 65.55 0.351 4.75 4 66.3 58.9
137 4 3 -1 32.954 65.908 0.353 4.7 4 149.5 296.2
138 0 1 5 32.986 65.972 0.353 4.69 4 245.5 796.7
139 4 3 0 33.05 66.099 0.354 4.67 4 153.4 309.6
140 2 4 -3 33.079 66.158 0.354 4.66 4 47.6 29.8
141 3 4 1 33.199 66.398 0.355 4.63 4 18.8 4.6
142 0 5 2 33.227 66.454 0.356 4.62 4 199.7 519.1
143 2 3 -4 33.229 66.459 0.356 4.62 4 185.4 447.2
144 1 3 4 33.25 66.501 0.356 4.61 4 213.2 590.8
145 3 2 -4 33.258 66.515 0.356 4.61 4 73.3 69.9
146 2 2 4 33.292 66.585 0.356 4.6 4 158.2 324.6
147 3 4 -2 33.52 67.041 0.358 4.53 4 103.8 137.7
148 2 5 0 33.58 67.159 0.359 4.51 4 31.6 12.7
149 1 5 -2 33.624 67.249 0.359 4.5 4 164.6 343.8
150 4 2 -3 33.873 67.747 0.362 4.43 4 15.7 3.1
151 2 5 -1 33.887 67.775 0.362 4.43 4 4.2 0.2
152 2 1 -5 34.168 68.337 0.365 4.35 4 221.5 602.1
153 4 3 -2 34.282 68.564 0.366 4.32 4 279.8 954.3
154 4 2 2 34.344 68.688 0.366 4.31 4 12.8 2.0
155 1 5 2 34.426 68.852 0.367 4.29 4 122.9 182.5
156 5 0 0 34.547 69.095 0.368 4.26 2 277.9 463.5
157 4 3 1 34.563 69.126 0.368 4.25 4 213.5 546.4
158 1 2 -5 34.67 69.34 0.369 4.23 4 111.6 148.5
159 2 5 1 34.686 69.372 0.369 4.22 4 115.3 158.3
160 1 1 5 34.786 69.572 0.37 4.2 4 26.8 8.5
161 0 2 5 34.875 69.75 0.371 4.17 4 46.7 25.7
162 5 1 -1 34.879 69.757 0.371 4.17 4 121.9 174.8
163 5 1 0 35.169 70.338 0.374 4.1 4 117.4 159.6
164 5 0 -2 35.363 70.725 0.376 4.06 2 276.6 438.0
165 2 4 3 35.476 70.951 0.377 4.03 4 144.2 236.4
166 4 0 -4 35.493 70.987 0.377 4.03 2 146.9 122.6
167 3 0 4 35.54 71.081 0.377 4.02 2 182.9 189.6
168 2 5 -2 35.592 71.184 0.378 4.01 4 299.7 1015.1
169 3 3 3 35.645 71.29 0.378 4.0 4 164.6 305.1
170 3 4 2 35.903 71.806 0.381 3.94 4 36.5 14.8
171 5 1 -2 35.978 71.956 0.381 3.92 4 101.0 112.9
172 1 4 -4 36.026 72.053 0.382 3.91 4 236.2 615.7
173 2 2 -5 36.028 72.056 0.382 3.91 4 96.2 102.0
174 0 4 4 36.033 72.066 0.382 3.91 4 13.6 2.0
175 4 1 -4 36.108 72.216 0.383 3.9 4 101.6 113.5
176 3 1 4 36.155 72.309 0.383 3.89 4 152.8 255.9
177 3 3 -4 36.37 72.739 0.385 3.84 4 252.8 692.4
178 2 3 4 36.403 72.806 0.385 3.84 4 76.7 63.6
179 3 4 -3 36.42 72.84 0.385 3.83 4 94.9 97.4
180 1 2 5 36.632 73.265 0.387 3.79 4 197.3 415.8
181 0 5 3 36.721 73.441 0.388 3.77 4 38.8 16.0
182 5 2 -1 36.723 73.445 0.388 3.77 4 128.8 176.5
183 4 1 3 36.748 73.496 0.388 3.77 4 145.7 225.5
184 5 1 1 36.836 73.672 0.389 3.75 4 29.2 9.0
185 1 5 -3 36.908 73.816 0.39 3.74 4 0.7 0.0
186 4 3 -3 36.962 73.924 0.39 3.73 4 57.8 35.1
187 5 2 0 37.007 74.015 0.391 3.72 4 212.2 472.2
188 3 1 -5 37.08 74.16 0.391 3.7 4 68.8 49.5
189 2 5 2 37.149 74.298 0.392 3.69 4 202.5 426.7
190 0 6 0 37.252 74.505 0.393 3.67 2 48.7 12.3
191 4 4 -1 37.296 74.591 0.393 3.67 4 28.8 8.6
192 4 4 0 37.386 74.772 0.394 3.65 4 34.8 12.4
193 4 3 2 37.416 74.831 0.394 3.64 4 215.2 475.9
194 3 5 0 37.479 74.957 0.395 3.63 4 78.0 62.3
195 2 4 -4 37.557 75.113 0.396 3.62 4 63.3 40.8
196 1 4 4 37.576 75.153 0.396 3.62 4 17.1 3.0
197 3 5 -1 37.581 75.161 0.396 3.61 4 47.8 23.3
198 1 3 -5 37.73 75.461 0.397 3.59 4 41.4 17.3
199 5 2 -2 37.8 75.601 0.398 3.58 4 46.2 21.6
200 4 2 -4 37.928 75.856 0.399 3.56 4 155.0 240.8
201 0 3 5 37.929 75.858 0.399 3.56 4 112.4 126.7
202 0 6 1 37.931 75.862 0.399 3.56 4 243.7 595.3
203 3 2 4 37.974 75.948 0.399 3.55 4 4.0 0.2
204 1 6 0 38.015 76.029 0.4 3.54 4 129.7 168.0
205 1 5 3 38.062 76.125 0.4 3.53 4 102.3 104.4
206 2 1 5 38.074 76.149 0.4 3.53 4 44.6 19.8
207 5 1 -3 38.419 76.839 0.403 3.48 4 186.4 340.5
208 1 6 -1 38.498 76.996 0.404 3.46 4 88.6 76.7
209 4 2 3 38.557 77.114 0.405 3.46 4 159.6 248.1
210 4 4 -2 38.558 77.117 0.405 3.46 4 67.1 43.9
211 2 5 -3 38.616 77.232 0.405 3.45 4 114.8 128.0
212 5 2 1 38.644 77.288 0.405 3.44 4 18.3 3.3
213 3 5 1 38.728 77.457 0.406 3.43 4 68.0 44.7
214 4 4 1 38.827 77.654 0.407 3.41 4 57.9 32.2
215 1 6 1 38.879 77.758 0.407 3.41 4 56.9 31.1
216 3 2 -5 38.884 77.767 0.407 3.41 4 20.5 4.0
217 3 5 -2 39.031 78.061 0.409 3.39 4 3.9 0.1
218 2 3 -5 39.047 78.095 0.409 3.38 4 17.1 2.8
219 5 0 2 39.221 78.442 0.41 3.36 2 230.8 252.2
220 1 0 -6 39.557 79.114 0.413 3.31 2 21.1 2.1
221 1 3 5 39.635 79.271 0.414 3.3 4 161.9 244.1
222 5 3 -1 39.723 79.447 0.415 3.29 4 56.9 30.0
223 5 1 2 39.815 79.63 0.416 3.28 4 63.8 37.6
224 2 2 5 39.864 79.727 0.416 3.27 4 15.0 2.1
225 3 4 3 39.865 79.731 0.416 3.27 4 153.7 218.0
226 0 0 6 39.941 79.883 0.417 3.26 2 48.3 10.7
227 0 6 2 39.944 79.889 0.417 3.26 4 120.8 134.2
228 5 3 0 40.001 80.002 0.417 3.25 4 11.4 1.2
229 1 1 -6 40.15 80.299 0.419 3.24 4 110.1 110.5
230 5 2 -3 40.204 80.409 0.419 3.23 4 114.7 119.7
231 2 6 0 40.273 80.547 0.42 3.22 4 74.4 50.3
232 1 6 -2 40.315 80.63 0.42 3.22 4 129.9 153.0
233 0 1 6 40.533 81.065 0.422 3.19 4 60.6 33.0
234 2 6 -1 40.561 81.122 0.422 3.19 4 1.8 0.0
235 3 4 -4 40.564 81.128 0.422 3.19 4 45.4 18.5
236 2 4 4 40.596 81.193 0.422 3.18 4 32.2 9.3
237 2 0 -6 40.669 81.338 0.423 3.17 2 159.2 113.5
238 5 3 -2 40.777 81.553 0.424 3.16 4 114.7 117.4
239 2 5 3 40.885 81.769 0.425 3.15 4 61.5 33.6
240 4 3 -4 40.901 81.803 0.425 3.15 4 70.0 43.5
241 3 3 4 40.946 81.893 0.425 3.14 4 51.4 23.5
242 1 6 2 41.067 82.134 0.426 3.13 4 126.0 140.1
243 4 4 -3 41.137 82.275 0.427 3.12 4 156.3 215.1
244 2 1 -6 41.258 82.516 0.428 3.11 4 165.5 240.2
245 3 5 2 41.294 82.587 0.428 3.11 4 223.9 439.1
246 2 6 1 41.312 82.624 0.429 3.11 4 219.4 421.4
247 4 1 -5 41.401 82.802 0.429 3.1 4 84.6 62.4
248 1 5 -4 41.412 82.823 0.429 3.1 4 108.6 103.0
249 0 5 4 41.418 82.836 0.429 3.09 4 105.8 97.7
250 4 3 3 41.519 83.037 0.43 3.08 4 47.1 19.3
251 5 0 -4 41.548 83.097 0.431 3.08 2 71.2 22.0
252 4 4 2 41.578 83.156 0.431 3.08 4 93.3 75.5
253 5 2 2 41.585 83.17 0.431 3.08 4 141.4 173.6
254 5 3 1 41.604 83.207 0.431 3.08 4 61.7 33.0
255 4 0 4 41.606 83.212 0.431 3.08 2 32.4 4.6
256 3 5 -3 41.789 83.579 0.433 3.06 4 108.2 101.0
257 1 0 6 41.813 83.626 0.433 3.06 2 333.6 479.3
258 3 3 -5 41.84 83.679 0.433 3.05 4 229.2 452.0
259 1 4 -5 41.884 83.769 0.433 3.05 4 258.7 575.2
260 1 2 -6 41.916 83.833 0.434 3.05 4 172.6 255.7
261 0 4 5 42.078 84.155 0.435 3.03 4 97.3 81.0
262 5 1 -4 42.135 84.27 0.435 3.03 4 124.9 133.0
263 2 6 -2 42.171 84.341 0.436 3.02 4 88.7 67.0
264 4 1 4 42.193 84.385 0.436 3.02 4 74.5 47.3
265 0 2 6 42.296 84.593 0.437 3.01 4 12.9 1.4
266 1 1 6 42.399 84.799 0.438 3.0 4 147.9 185.1
267 4 5 -1 42.634 85.268 0.44 2.98 4 76.7 49.5
268 4 5 0 42.722 85.443 0.44 2.98 4 312.4 818.7
269 3 1 5 42.754 85.507 0.441 2.97 4 244.4 500.8
270 2 3 5 42.805 85.61 0.441 2.97 4 186.2 290.2
271 6 0 0 42.883 85.766 0.442 2.96 2 114.8 55.0
272 2 5 -4 42.887 85.774 0.442 2.96 4 179.9 270.4
273 1 5 4 42.906 85.812 0.442 2.96 4 162.1 219.3
274 6 1 -1 43.008 86.015 0.443 2.95 4 43.1 15.5
275 2 2 -6 43.017 86.033 0.443 2.95 4 201.6 338.4
276 5 3 -3 43.141 86.283 0.444 2.94 4 144.9 174.3
277 4 2 -5 43.159 86.317 0.444 2.94 4 106.0 93.3
278 2 4 -5 43.171 86.342 0.444 2.94 4 3.6 0.1
279 0 6 3 43.249 86.499 0.445 2.94 4 175.8 255.7
280 3 0 -6 43.255 86.509 0.445 2.93 2 1.2 0.0
281 6 0 -2 43.278 86.556 0.445 2.93 2 225.2 209.6
282 1 6 -3 43.429 86.858 0.446 2.92 4 77.8 49.8
283 6 1 0 43.468 86.935 0.447 2.92 4 116.2 111.1
284 2 6 2 43.662 87.323 0.448 2.91 4 78.2 50.1
285 1 4 5 43.748 87.497 0.449 2.9 4 72.5 43.0
286 5 4 -1 43.835 87.67 0.45 2.89 4 32.7 8.7
287 3 1 -6 43.838 87.677 0.45 2.89 4 110.0 98.7
288 4 5 -2 43.861 87.722 0.45 2.89 4 15.6 2.0
289 6 1 -2 43.862 87.724 0.45 2.89 4 63.8 33.2
290 5 2 -4 43.889 87.778 0.45 2.89 4 109.2 97.2
291 4 2 4 43.946 87.893 0.45 2.89 4 224.0 408.7
292 3 6 0 43.98 87.959 0.451 2.89 4 25.4 5.3
293 5 1 3 44.052 88.105 0.451 2.88 4 172.0 240.2
294 3 6 -1 44.078 88.156 0.452 2.88 4 131.6 140.6
295 5 4 0 44.109 88.217 0.452 2.88 4 102.2 84.7
296 4 5 1 44.123 88.247 0.452 2.88 4 11.5 1.1
297 1 2 6 44.152 88.305 0.452 2.87 4 59.2 28.4
298 3 2 5 44.505 89.011 0.455 2.85 4 45.4 16.6
299 5 3 2 44.509 89.018 0.455 2.85 4 17.6 2.5
300 1 6 3 44.545 89.09 0.455 2.85 4 108.6 94.8
301 6 2 -1 44.759 89.518 0.457 2.84 4 92.2 68.1
302 1 3 -6 44.838 89.676 0.458 2.84 4 157.0 197.2
303 5 4 -2 44.874 89.748 0.458 2.83 4 30.9 7.6
304 4 4 -4 44.998 89.995 0.459 2.83 4 127.0 128.7
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 0 0 6.512 13.025 6.79153 207.8 2.0 2.0 5.6
2 1 1 -1 10.182 20.363 4.35754 2122.6 20.5 20.6 5.6
3 1 1 1 11.201 22.402 3.96532 8849.6 85.3 85.8 5.6
4 0 2 0 11.641 23.282 3.8175 313.3 3.0 3.0 5.6
5 0 0 2 12.357 24.714 3.59942 635.2 6.1 6.2 5.6
6 1 0 -2 13.204 26.407 3.3723 2228.5 21.5 21.6 5.6
7 0 1 2 13.685 27.371 3.25576 230.0 2.2 2.2 5.6
8 1 2 -1 14.392 28.785 3.09896 4469.1 43.1 43.1 5.6
9 1 1 -2 14.46 28.92 3.0848 723.5 7.0 7.0 5.6
10 1 0 2 14.788 29.576 3.01787 1054.4 10.2 10.2 5.6
11 2 1 -1 14.955 29.91 2.9849 10368.8 100.0 100.0 5.6
12 1 1 2 15.93 31.859 2.80658 6121.2 59.0 58.9 5.6
13 2 1 1 16.384 32.769 2.73071 1483.7 14.3 14.3 5.6
14 2 0 -2 16.876 33.752 2.65336 898.4 8.7 8.6 5.7
15 0 2 2 17.105 34.21 2.61888 6787.6 65.5 65.2 5.7
16 2 2 0 17.673 35.347 2.53722 2986.2 28.8 28.7 5.7
17 1 2 -2 17.744 35.489 2.52739 1761.0 17.0 16.9 5.7
18 2 1 -2 17.899 35.797 2.50632 450.8 4.3 4.3 5.7
19 2 2 -1 18.159 36.318 2.47157 1431.8 13.8 13.7 5.7
20 0 3 1 18.725 37.449 2.39947 2096.7 20.2 20.1 5.7
21 1 3 0 18.858 37.715 2.38317 3894.0 37.6 37.3 5.7
22 2 0 2 19.39 38.781 2.32011 2136.3 20.6 20.4 5.7
23 1 3 -1 19.613 39.227 2.29475 2367.5 22.8 22.6 5.7
24 0 1 3 19.663 39.325 2.28921 3426.8 33.0 32.8 5.7
25 3 0 0 19.892 39.785 2.26384 1220.9 11.8 11.7 5.7
26 1 1 -3 19.944 39.889 2.25819 443.1 4.3 4.2 5.7
27 1 3 1 20.194 40.388 2.23141 585.7 5.6 5.6 5.7
28 2 1 2 20.303 40.607 2.21987 265.2 2.6 2.5 5.7
29 2 2 -2 20.704 41.408 2.17877 210.1 2.0 2.0 5.7
30 3 1 0 20.787 41.574 2.17044 1249.1 12.0 11.9 5.7
31 3 1 -1 20.935 41.87 2.15579 837.9 8.1 8.0 5.7
32 1 1 3 21.625 43.25 2.09014 629.6 6.1 6.0 5.7
33 0 3 2 21.757 43.515 2.07803 230.1 2.2 2.2 5.7
34 3 0 -2 22.146 44.292 2.04334 341.7 3.3 3.3 5.7
35 2 3 0 22.224 44.448 2.03652 640.4 6.2 6.1 5.7
36 0 2 3 22.281 44.562 2.03159 522.6 5.0 5.0 5.7
37 2 1 -3 22.4 44.8 2.02137 1336.1 12.9 12.7 5.7
38 1 2 -3 22.536 45.072 2.00981 4238.6 40.9 40.3 5.7
39 2 2 2 22.862 45.723 1.98266 706.3 6.8 6.7 5.7
40 3 1 -2 22.969 45.939 1.97388 1681.2 16.2 16.0 5.7
41 1 3 2 23.323 46.647 1.94554 2052.6 19.8 19.5 5.7
42 2 3 1 23.656 47.312 1.91973 156.7 1.5 1.5 5.7
43 1 2 3 24.071 48.141 1.88859 240.8 2.3 2.3 5.7
44 0 4 1 24.677 49.353 1.845 567.5 5.5 5.4 5.7
45 1 4 0 24.783 49.567 1.83756 1629.7 15.7 15.4 5.7
46 3 2 1 24.93 49.859 1.82745 1860.3 17.9 17.6 5.7
47 3 0 2 25.181 50.362 1.81039 140.1 1.4 1.3 5.8
48 3 2 -2 25.314 50.628 1.80151 2520.8 24.3 23.8 5.8
49 1 4 -1 25.395 50.791 1.7961 431.4 4.2 4.1 5.8
50 1 4 1 25.872 51.744 1.76524 415.8 4.0 3.9 5.8
51 3 1 2 25.93 51.86 1.76155 685.7 6.6 6.5 5.8
52 0 1 4 26.087 52.174 1.7517 429.1 4.1 4.0 5.8
53 3 1 -3 26.551 53.101 1.72326 192.9 1.9 1.8 5.8
54 2 3 2 26.696 53.392 1.71457 414.3 4.0 3.9 5.8
55 4 0 0 26.979 53.959 1.69788 154.4 1.5 1.5 5.8
56 1 0 4 27.206 54.412 1.68481 1397.0 13.5 13.1 5.8
57 2 2 3 27.602 55.204 1.6625 1476.1 14.2 13.9 5.8
58 4 1 0 27.694 55.389 1.65739 123.3 1.2 1.2 5.8
59 1 3 3 27.781 55.562 1.65263 358.5 3.5 3.4 5.8
60 2 4 -1 27.922 55.843 1.64497 444.7 4.3 4.2 5.8
61 1 2 -4 28.233 56.467 1.62828 326.1 3.1 3.1 5.8
62 4 0 -2 28.362 56.724 1.6215 235.6 2.3 2.2 5.8
63 2 3 -3 28.429 56.858 1.61801 1087.1 10.5 10.2 5.8
64 3 2 -3 28.681 57.362 1.60498 439.3 4.2 4.1 5.8
65 2 4 1 28.811 57.622 1.59836 1147.0 11.1 10.7 5.8
66 4 1 -2 29.054 58.108 1.58612 301.9 2.9 2.8 5.8
67 4 1 1 29.362 58.724 1.57095 243.6 2.3 2.3 5.8
68 1 2 4 29.983 59.965 1.54137 821.8 7.9 7.7 5.8
69 3 1 3 30.539 61.077 1.51594 726.0 7.0 6.8 5.8
70 3 0 -4 30.66 61.319 1.51054 775.7 7.5 7.2 5.8
71 2 0 4 30.696 61.392 1.50893 492.4 4.7 4.6 5.8
72 0 5 1 31.042 62.084 1.49376 707.7 6.8 6.6 5.8
73 4 2 -2 31.072 62.144 1.49245 213.2 2.1 2.0 5.8
74 1 5 0 31.133 62.267 1.48981 616.5 5.9 5.7 5.8
75 1 4 -3 31.244 62.488 1.48508 621.7 6.0 5.8 5.8
76 4 2 1 31.368 62.736 1.47979 633.1 6.1 5.9 5.9
77 3 3 2 31.476 62.953 1.47522 541.5 5.2 5.0 5.9
78 0 3 4 31.615 63.23 1.46942 268.6 2.6 2.5 5.9
79 4 0 2 31.792 63.585 1.46207 303.2 2.9 2.8 5.9
80 3 4 -1 31.97 63.94 1.4548 1746.0 16.8 16.2 5.9
81 1 4 3 32.487 64.975 1.43411 636.3 6.1 5.9 5.9
82 4 3 -1 32.954 65.908 1.41605 296.2 2.9 2.7 5.9
83 0 1 5 32.986 65.972 1.41483 796.7 7.7 7.4 5.9
84 4 3 0 33.05 66.099 1.41241 339.4 3.3 3.1 5.9
85 1 3 4 33.25 66.501 1.40486 1631.6 15.7 15.1 5.9
86 2 2 4 33.292 66.585 1.40329 324.6 3.1 3.0 5.9
87 3 4 -2 33.52 67.041 1.39485 137.7 1.3 1.3 5.9
88 1 5 -2 33.624 67.249 1.39104 343.8 3.3 3.2 5.9
89 2 1 -5 34.168 68.337 1.37152 602.1 5.8 5.5 5.9
90 4 3 -2 34.282 68.564 1.36752 954.3 9.2 8.8 5.9
91 1 5 2 34.426 68.852 1.36251 182.5 1.8 1.7 5.9
92 4 3 1 34.563 69.126 1.35776 1009.8 9.7 9.3 5.9
93 2 5 1 34.686 69.372 1.35356 306.7 3.0 2.8 5.9
94 5 1 -1 34.879 69.757 1.34702 200.5 1.9 1.8 5.9
95 5 1 0 35.169 70.338 1.33731 159.6 1.5 1.5 5.9
96 5 0 -2 35.363 70.725 1.33094 438.0 4.2 4.0 5.9
97 2 4 3 35.476 70.951 1.32726 359.0 3.5 3.3 5.9
98 3 0 4 35.54 71.081 1.32515 189.6 1.8 1.7 5.9
99 2 5 -2 35.592 71.184 1.32348 1015.1 9.8 9.3 5.9
100 3 3 3 35.645 71.29 1.32177 305.1 2.9 2.8 5.9
101 5 1 -2 35.978 71.956 1.31117 112.9 1.1 1.0 5.9
102 1 4 -4 36.026 72.053 1.30965 719.8 6.9 6.6 5.9
103 4 1 -4 36.108 72.216 1.30709 113.5 1.1 1.0 5.9
104 3 1 4 36.155 72.309 1.30563 255.9 2.5 2.3 5.9
105 3 3 -4 36.37 72.739 1.29897 692.4 6.7 6.3 6.0
106 3 4 -3 36.42 72.84 1.29743 161.0 1.6 1.5 6.0
107 1 2 5 36.632 73.265 1.29095 415.8 4.0 3.8 6.0
108 4 1 3 36.748 73.496 1.28745 418.0 4.0 3.8 6.0
109 5 2 0 37.007 74.015 1.27971 472.2 4.6 4.3 6.0
110 2 5 2 37.149 74.298 1.27553 426.7 4.1 3.9 6.0
111 4 3 2 37.416 74.831 1.26776 488.3 4.7 4.4 6.0
112 0 6 1 37.931 75.862 1.25307 962.8 9.3 8.7 6.0
113 1 6 0 38.015 76.029 1.25074 168.0 1.6 1.5 6.0
114 1 5 3 38.062 76.125 1.2494 124.2 1.2 1.1 6.0
115 5 1 -3 38.419 76.839 1.23956 340.5 3.3 3.1 6.0
116 4 2 3 38.557 77.114 1.23582 292.0 2.8 2.6 6.0
117 2 5 -3 38.616 77.232 1.23424 131.3 1.3 1.2 6.0
118 5 0 2 39.221 78.442 1.21819 252.2 2.4 2.3 6.0
119 1 3 5 39.635 79.271 1.20753 244.1 2.4 2.2 6.0
120 3 4 3 39.865 79.731 1.20171 220.1 2.1 2.0 6.0
121 0 6 2 39.944 79.889 1.19973 144.9 1.4 1.3 6.0
122 1 1 -6 40.15 80.299 1.19463 110.5 1.1 1.0 6.0
123 5 2 -3 40.204 80.409 1.19328 119.7 1.2 1.1 6.0
124 1 6 -2 40.315 80.63 1.19056 153.0 1.5 1.4 6.1
125 2 0 -6 40.669 81.338 1.18197 113.5 1.1 1.0 6.1
126 5 3 -2 40.777 81.553 1.1794 117.4 1.1 1.1 6.1
127 1 6 2 41.067 82.134 1.17253 140.1 1.4 1.3 6.1
128 4 4 -3 41.137 82.275 1.17087 215.1 2.1 1.9 6.1
129 2 1 -6 41.258 82.516 1.16806 240.2 2.3 2.1 6.1
130 3 5 2 41.294 82.587 1.16724 860.5 8.3 7.7 6.1
131 0 5 4 41.418 82.836 1.16436 263.1 2.5 2.3 6.1
132 5 2 2 41.585 83.17 1.16053 286.6 2.8 2.6 6.1
133 1 0 6 41.813 83.626 1.15536 1032.3 10.0 9.2 6.1
134 1 4 -5 41.884 83.769 1.15376 575.2 5.5 5.1 6.1
135 1 2 -6 41.916 83.833 1.15304 255.7 2.5 2.3 6.1
136 5 1 -4 42.135 84.27 1.14816 133.0 1.3 1.2 6.1
137 2 6 -2 42.171 84.341 1.14738 114.3 1.1 1.0 6.1
138 1 1 6 42.399 84.799 1.14235 185.1 1.8 1.6 6.1
139 4 5 0 42.722 85.443 1.13537 818.7 7.9 7.3 6.1
140 3 1 5 42.754 85.507 1.13469 500.8 4.8 4.4 6.1
141 2 3 5 42.805 85.61 1.13359 290.2 2.8 2.6 6.1
142 1 5 4 42.906 85.812 1.13144 544.7 5.3 4.8 6.1
143 2 2 -6 43.017 86.033 1.12909 353.9 3.4 3.1 6.1
144 5 3 -3 43.141 86.283 1.12647 267.7 2.6 2.4 6.1
145 0 6 3 43.249 86.499 1.12421 465.4 4.5 4.1 6.1
146 6 1 0 43.468 86.935 1.11968 111.1 1.1 1.0 6.1
147 6 1 -2 43.862 87.724 1.11164 239.8 2.3 2.1 6.2
148 4 2 4 43.946 87.893 1.10994 408.7 3.9 3.6 6.2
149 5 1 3 44.052 88.105 1.10781 380.8 3.7 3.4 6.2
150 1 3 -6 44.838 89.676 1.09243 197.2 1.9 1.7 6.2
151 4 4 -4 44.998 89.995 1.08938 128.7 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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