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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AIKINITE
1, like-antimonite, s-aikinite
BiCuPbS(3)
Orthorhombic P nma Z = 4
Pnma
20 .4 .1988
Ref.Str.:
Ohmasa M., Nowacki W. (1970)
* Z. Kristallogr., 132, 71-86
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.638 alpha = 90.0
b = 4.039 beta = 90.0
c = 11.319 gamma = 90.0
Unit cell volume (cub. angs.) = 532.06
Molar volume ( cub.cm/mol.) = 80.12
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0189 0.25 0.6827 2.53 Bi = 1.00
2 0.2338 0.25 0.2085 3.75 Cu = 1.00
3 0.8329 0.25 0.0105 3.13 Pb = 1.00
4 0.716 0.25 0.6986 1.87 S = 1.00
5 0.0467 0.25 0.14 2.11 S = 1.00
6 0.3775 0.25 0.0559 2.1 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0189 0.25 0.6827
2 2 0.2338 0.25 0.2085
3 3 0.8329 0.25 0.0105
4 4 0.716 0.25 0.6986
5 5 0.0467 0.25 0.14
6 6 0.3775 0.25 0.0559
7 1 0.4811 0.75 0.1827
8 2 0.2662 0.75 0.7085
9 3 0.6671 0.75 0.5105
10 4 0.784 0.75 0.1986
11 5 0.4533 0.75 0.64
12 6 0.1225 0.75 0.5559
13 1 0.5189 0.25 0.8173
14 2 0.7338 0.25 0.2915
15 3 0.3329 0.25 0.4895
16 4 0.216 0.25 0.8014
17 5 0.5467 0.25 0.36
18 6 0.8775 0.25 0.4441
19 1 0.9811 0.75 0.3173
20 2 0.7662 0.75 0.7915
21 3 0.1671 0.75 0.9895
22 4 0.284 0.75 0.3014
23 5 0.9533 0.75 0.86
24 6 0.6225 0.75 0.9441
X-ray density (g/cm cub.) = 7.19
MU (1/cm) = 1374.736 Mass attenuation coefficient (cm**2/g) = 191.276
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Bi 3.624 7
3.5297 4
2.7554 6
2.7554 6
2.6584 4
3.1626 6
2.9477 5
2.9477 5
2 Cu 3.36 4
2.3114 5
2.4042 6
2.3506 4
2.3506 4
3 Pb 3.696 7
2.8879 5
2.9892 4
2.9892 4
2.9906 5
2.9906 5
3.2618 6
3.2618 6
4 S 4.368 10
4.039 4
4.039 4
3.7236 5
3.7236 5
4.3094 5
3.4396 6
3.8785 5
3.8785 5
3.6034 6
3.6034 6
5 S 4.368 11
4.039 5
4.039 5
3.9658 6
3.7236 4
3.7236 4
4.3094 4
3.9656 6
3.8785 4
3.8785 4
3.9121 5
3.9121 5
6 S 4.368 9
3.9658 5
4.039 6
4.039 6
3.4396 4
3.9656 5
3.6034 4
3.6034 4
3.7161 6
3.7161 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 1 0 1 5.447 10.895 0.062 218.96 4 27.6 236.4
2 2 0 0 7.607 15.214 0.086 111.19 2 38.1 113.8
3 0 0 2 7.822 15.645 0.088 105.02 2 9.1 6.1
4 2 0 1 8.56 17.12 0.097 87.34 4 76.7 725.4
5 1 0 2 8.705 17.41 0.098 84.38 4 50.5 304.6
6 2 0 2 10.945 21.889 0.123 52.58 4 201.6 3020.5
7 0 1 1 11.683 23.365 0.131 45.89 4 132.4 1136.2
8 3 0 1 12.116 24.233 0.136 42.52 4 331.3 6592.5
9 1 1 1 12.3 24.6 0.138 41.2 8 158.5 2925.6
10 1 0 3 12.393 24.786 0.139 40.55 4 306.5 5383.2
11 2 1 0 13.424 26.847 0.151 34.26 4 142.8 987.1
12 3 0 2 13.93 27.859 0.156 31.68 4 109.1 532.7
13 2 1 1 14.0 28.0 0.157 31.34 8 249.0 5489.3
14 2 0 3 14.082 28.165 0.158 30.95 4 55.0 132.3
15 1 1 2 14.091 28.182 0.158 30.91 8 230.2 4627.4
16 4 0 0 15.352 30.704 0.172 25.73 2 184.9 621.8
17 2 1 2 15.611 31.222 0.175 24.82 8 316.6 7033.3
18 0 0 4 15.796 31.591 0.177 24.2 2 224.1 858.8
19 4 0 1 15.864 31.728 0.177 23.98 4 58.5 116.0
20 0 1 3 16.223 32.446 0.181 22.85 4 146.7 694.7
21 1 0 4 16.268 32.537 0.182 22.71 4 87.0 242.9
22 3 1 1 16.475 32.95 0.184 22.1 8 12.5 9.8
23 3 0 3 16.546 33.093 0.185 21.89 4 16.1 8.0
24 1 1 3 16.685 33.37 0.186 21.5 8 263.3 4211.2
25 4 0 2 17.318 34.637 0.193 19.82 4 378.3 4009.2
26 2 0 4 17.619 35.238 0.196 19.09 4 223.7 1349.5
27 3 1 2 17.886 35.771 0.199 18.47 8 184.1 1770.2
28 2 1 3 18.008 36.016 0.201 18.2 8 97.6 489.5
29 4 1 0 19.043 38.087 0.212 16.09 4 271.6 1676.9
30 4 1 1 19.47 38.939 0.216 15.32 8 150.5 981.2
31 4 0 3 19.531 39.062 0.217 15.22 4 88.4 167.8
32 3 0 4 19.69 39.38 0.219 14.95 4 28.2 16.7
33 5 0 1 19.746 39.493 0.219 14.85 4 85.7 154.1
34 1 1 4 19.809 39.619 0.22 14.75 8 235.0 2301.9
35 3 1 3 20.044 40.089 0.222 14.36 8 141.5 813.1
36 1 0 5 20.282 40.564 0.225 13.99 4 79.6 125.2
37 4 1 2 20.704 41.407 0.229 13.36 8 156.2 921.7
38 2 1 4 20.963 41.925 0.232 13.0 8 195.2 1399.2
39 5 0 2 20.967 41.934 0.232 12.99 4 157.7 456.6
40 2 0 5 21.414 42.828 0.237 12.39 4 83.6 122.3
41 4 0 4 22.316 44.633 0.246 11.29 4 97.9 153.0
42 0 2 0 22.422 44.843 0.248 11.17 2 592.5 2771.8
43 4 1 3 22.637 45.274 0.25 10.94 8 20.4 12.8
44 3 1 4 22.778 45.556 0.251 10.78 8 234.0 1669.2
45 5 1 1 22.828 45.656 0.252 10.73 8 144.6 633.8
46 5 0 3 22.882 45.765 0.252 10.67 4 224.8 762.2
47 0 1 5 22.958 45.917 0.253 10.59 4 193.0 557.3
48 1 2 1 23.145 46.29 0.255 10.4 8 15.3 6.9
49 3 0 5 23.201 46.402 0.256 10.34 4 404.9 2395.8
50 1 1 5 23.306 46.611 0.257 10.24 8 88.5 226.7
51 6 0 0 23.398 46.796 0.258 10.15 2 275.0 542.1
52 6 0 1 23.76 47.52 0.262 9.8 4 78.1 84.6
53 2 2 0 23.812 47.624 0.262 9.75 4 32.1 14.2
54 0 2 2 23.89 47.779 0.263 9.68 4 10.5 1.5
55 5 1 2 23.921 47.842 0.263 9.65 8 157.2 674.4
56 0 0 6 24.099 48.198 0.265 9.49 2 355.8 848.9
57 2 2 1 24.169 48.339 0.266 9.43 8 52.0 72.0
58 1 2 2 24.227 48.454 0.266 9.38 8 33.8 30.3
59 2 1 5 24.325 48.65 0.267 9.29 8 25.3 16.8
60 1 0 6 24.434 48.868 0.269 9.2 4 3.5 0.2
61 6 0 2 24.822 49.643 0.272 8.87 4 139.2 242.8
62 4 1 4 25.146 50.291 0.276 8.62 8 96.2 225.4
63 2 2 2 25.218 50.436 0.277 8.56 8 143.8 500.3
64 5 0 4 25.373 50.745 0.278 8.44 4 133.4 212.3
65 2 0 6 25.419 50.838 0.279 8.41 4 74.0 65.0
66 4 0 5 25.539 51.078 0.28 8.32 4 58.9 40.8
67 5 1 3 25.664 51.328 0.281 8.22 8 165.5 636.7
68 3 2 1 25.808 51.617 0.283 8.12 8 232.7 1242.5
69 1 2 3 25.954 51.909 0.284 8.02 8 221.2 1108.6
70 3 1 5 25.957 51.913 0.284 8.01 8 152.7 528.1
71 6 1 0 26.138 52.277 0.286 7.89 4 253.6 716.9
72 6 1 1 26.472 52.944 0.289 7.66 8 164.9 588.9
73 6 0 3 26.521 53.042 0.29 7.63 4 71.6 55.3
74 3 2 2 26.81 53.62 0.293 7.45 8 74.9 118.0
75 2 2 3 26.899 53.798 0.294 7.39 8 36.9 28.5
76 3 0 6 27.003 54.005 0.295 7.33 4 3.2 0.1
77 1 1 6 27.096 54.193 0.296 7.27 8 93.5 179.6
78 6 1 2 27.457 54.914 0.299 7.05 8 118.9 281.7
79 4 2 0 27.665 55.33 0.301 6.93 4 135.4 179.5
80 7 0 1 27.923 55.845 0.304 6.79 4 15.4 2.3
81 0 2 4 27.943 55.886 0.304 6.78 4 156.8 235.5
82 5 1 4 27.971 55.942 0.304 6.76 8 103.4 204.2
83 4 2 1 27.986 55.972 0.305 6.75 8 45.0 38.6
84 2 1 6 28.014 56.029 0.305 6.74 8 70.5 94.5
85 4 1 5 28.127 56.253 0.306 6.68 8 30.3 17.3
86 1 2 4 28.245 56.49 0.307 6.61 8 62.4 72.8
87 5 0 5 28.337 56.673 0.308 6.57 4 2.8 0.1
88 3 2 3 28.425 56.851 0.309 6.52 8 17.3 5.5
89 1 0 7 28.747 57.494 0.312 6.36 4 140.1 176.3
90 6 0 4 28.781 57.561 0.313 6.34 4 122.1 133.6
91 7 0 2 28.874 57.748 0.313 6.29 4 69.8 43.3
92 4 2 2 28.936 57.872 0.314 6.26 8 270.4 1294.1
93 6 1 3 29.048 58.096 0.315 6.21 8 94.8 157.5
94 4 0 6 29.119 58.239 0.316 6.17 4 82.9 59.9
95 2 2 4 29.139 58.278 0.316 6.16 8 158.4 437.1
96 3 1 6 29.502 59.005 0.32 5.99 8 31.7 17.0
97 2 0 7 29.631 59.262 0.321 5.94 4 127.6 136.5
98 7 1 1 30.373 60.745 0.328 5.62 8 204.6 664.6
99 7 0 3 30.417 60.834 0.329 5.6 4 235.1 437.3
100 4 2 3 30.478 60.955 0.329 5.57 8 63.5 63.6
101 3 2 4 30.592 61.185 0.33 5.53 8 23.8 8.8
102 5 2 1 30.633 61.266 0.331 5.51 8 59.2 54.6
103 5 1 5 30.766 61.532 0.332 5.46 8 99.0 151.3
104 0 1 7 30.872 61.744 0.333 5.42 4 86.6 57.4
105 1 2 5 31.024 62.049 0.335 5.36 8 62.6 59.3
106 3 0 7 31.07 62.141 0.335 5.34 4 77.5 45.3
107 1 1 7 31.156 62.312 0.336 5.31 8 194.5 567.5
108 6 1 4 31.188 62.377 0.336 5.3 8 13.7 2.8
109 7 1 2 31.277 62.555 0.337 5.26 8 69.3 71.4
110 4 1 6 31.511 63.022 0.339 5.18 8 190.4 530.4
111 6 0 5 31.531 63.061 0.339 5.17 4 65.0 30.9
112 5 2 2 31.533 63.067 0.339 5.17 8 115.5 194.9
113 5 0 6 31.707 63.415 0.341 5.11 4 95.1 65.3
114 2 2 5 31.87 63.741 0.343 5.05 8 60.3 51.9
115 8 0 0 31.971 63.942 0.344 5.02 2 56.1 11.2
116 2 1 7 32.0 64.0 0.344 5.01 8 186.8 493.7
117 8 0 1 32.266 64.532 0.347 4.92 4 120.4 100.8
118 7 0 4 32.504 65.007 0.349 4.84 4 149.6 153.0
119 4 2 4 32.562 65.124 0.349 4.82 8 72.3 71.3
120 7 1 3 32.753 65.506 0.351 4.76 8 15.9 3.4
121 0 0 8 32.985 65.969 0.353 4.69 2 81.7 22.1
122 5 2 3 33.003 66.006 0.354 4.68 8 167.7 372.1
123 4 0 7 33.024 66.048 0.354 4.68 4 10.7 0.8
124 8 0 2 33.141 66.283 0.355 4.64 4 136.4 122.0
125 3 2 5 33.254 66.507 0.356 4.61 8 299.2 1165.6
126 1 0 8 33.259 66.518 0.356 4.61 4 74.4 36.0
127 3 1 7 33.381 66.761 0.357 4.57 8 77.2 77.0
128 6 2 0 33.41 66.82 0.357 4.56 4 204.9 270.8
129 6 2 1 33.698 67.396 0.36 4.48 8 61.5 47.8
130 6 1 5 33.824 67.648 0.361 4.45 8 97.1 118.6
131 0 2 6 33.969 67.939 0.363 4.41 4 264.4 435.2
132 5 1 6 33.994 67.989 0.363 4.4 8 115.2 165.0
133 2 0 8 34.075 68.15 0.364 4.38 4 146.2 132.2
134 1 2 6 34.24 68.479 0.365 4.34 8 4.7 0.3
135 8 1 0 34.249 68.498 0.365 4.33 4 33.2 6.7
136 8 1 1 34.534 69.067 0.368 4.26 8 55.6 37.2
137 6 2 2 34.555 69.11 0.368 4.25 8 97.7 114.8
138 8 0 3 34.575 69.15 0.368 4.25 4 33.9 6.9
139 6 0 6 34.721 69.442 0.37 4.21 4 214.7 274.4
140 7 1 4 34.764 69.527 0.37 4.2 8 93.7 104.3
141 5 2 4 35.006 70.013 0.372 4.14 8 99.8 116.6
142 2 2 6 35.045 70.089 0.373 4.13 8 58.6 40.1
143 7 0 5 35.088 70.175 0.373 4.12 4 72.0 30.2
144 4 2 5 35.144 70.287 0.374 4.11 8 43.5 22.0
145 0 3 1 35.181 70.362 0.374 4.1 4 79.0 36.2
146 4 1 7 35.267 70.535 0.375 4.08 8 175.6 355.6
147 8 1 2 35.381 70.763 0.376 4.06 8 144.1 238.0
148 3 0 8 35.415 70.83 0.376 4.05 4 58.0 19.2
149 1 3 1 35.447 70.895 0.376 4.04 8 81.4 75.7
150 5 0 7 35.453 70.906 0.377 4.04 4 32.0 5.8
151 1 1 8 35.495 70.991 0.377 4.03 8 77.4 68.2
152 2 3 0 35.962 71.924 0.381 3.93 4 70.2 27.3
153 6 2 3 35.962 71.925 0.381 3.93 8 56.9 35.9
154 2 3 1 36.24 72.481 0.384 3.87 8 134.0 196.4
155 1 3 2 36.286 72.571 0.384 3.86 8 125.3 171.2
156 2 1 8 36.288 72.576 0.384 3.86 8 108.9 129.3
157 3 2 6 36.369 72.738 0.385 3.84 8 6.4 0.4
158 8 0 4 36.539 73.077 0.386 3.81 4 40.3 8.7
159 8 1 3 36.775 73.55 0.389 3.76 8 1.7 0.0
160 9 0 1 36.838 73.676 0.389 3.75 4 169.5 152.3
161 6 1 6 36.917 73.834 0.39 3.74 8 82.4 71.7
162 2 3 2 37.072 74.143 0.391 3.71 8 165.6 287.2
163 7 2 1 37.154 74.308 0.392 3.69 8 14.2 2.1
164 4 0 8 37.256 74.512 0.393 3.67 4 176.1 160.8
165 7 1 5 37.275 74.55 0.393 3.67 8 226.2 530.5
166 0 3 3 37.406 74.813 0.394 3.65 4 82.6 35.1
167 5 2 5 37.511 75.022 0.395 3.63 8 1.2 0.0
168 3 3 1 37.548 75.095 0.396 3.62 8 6.9 0.5
169 3 1 8 37.595 75.189 0.396 3.61 8 12.9 1.7
170 5 1 7 37.632 75.263 0.396 3.61 8 100.3 102.5
171 9 0 2 37.664 75.328 0.397 3.6 4 128.3 83.7
172 1 3 3 37.666 75.332 0.397 3.6 8 135.3 186.1
173 1 2 7 37.867 75.734 0.398 3.57 8 106.4 114.1
174 6 2 4 37.896 75.793 0.399 3.56 8 90.6 82.6
175 7 2 2 37.978 75.955 0.399 3.55 8 55.7 31.1
176 1 0 9 38.027 76.054 0.4 3.54 4 152.8 116.8
177 7 0 6 38.138 76.275 0.401 3.52 4 45.7 10.4
178 4 2 6 38.192 76.384 0.401 3.51 8 66.5 43.9
179 6 0 7 38.329 76.659 0.403 3.49 4 84.7 35.4
180 3 3 2 38.368 76.736 0.403 3.48 8 106.0 110.5
181 2 3 3 38.442 76.884 0.404 3.47 8 51.9 26.4
182 2 2 7 38.641 77.282 0.405 3.44 8 97.2 91.9
183 8 1 4 38.694 77.389 0.406 3.43 8 146.7 209.0
184 2 0 9 38.8 77.601 0.407 3.42 4 15.3 1.1
185 9 1 1 38.988 77.976 0.408 3.39 8 21.2 4.3
186 8 0 5 39.006 78.011 0.409 3.39 4 1.8 0.0
187 9 0 3 39.028 78.055 0.409 3.39 4 86.0 35.4
188 4 3 0 39.081 78.162 0.409 3.38 4 148.9 105.8
189 7 2 3 39.338 78.675 0.411 3.34 8 178.4 300.5
190 4 3 1 39.352 78.703 0.412 3.34 8 91.7 79.3
191 4 1 8 39.398 78.796 0.412 3.33 8 68.5 44.2
192 1 3 4 39.571 79.142 0.414 3.31 8 135.5 171.7
193 5 0 8 39.576 79.153 0.414 3.31 4 55.1 14.2
194 3 3 3 39.724 79.448 0.415 3.29 8 77.7 56.1
195 9 1 2 39.799 79.599 0.415 3.28 8 2.0 0.0
196 0 1 9 39.902 79.803 0.416 3.27 4 183.5 155.5
197 3 2 7 39.922 79.843 0.417 3.26 8 56.3 29.2
198 3 0 9 40.079 80.159 0.418 3.24 4 47.1 10.2
199 1 1 9 40.157 80.313 0.419 3.24 8 56.4 29.1
200 4 3 2 40.161 80.323 0.419 3.23 8 80.7 59.5
201 7 1 6 40.265 80.531 0.42 3.22 8 64.0 37.3
202 2 3 4 40.336 80.672 0.42 3.21 8 106.0 102.0
203 6 2 5 40.336 80.673 0.42 3.21 8 49.9 22.6
204 6 1 7 40.454 80.909 0.421 3.2 8 48.4 21.2
205 5 2 6 40.496 80.992 0.422 3.19 8 67.8 41.5
206 8 2 0 40.735 81.471 0.424 3.17 4 43.4 8.4
207 9 0 4 40.914 81.828 0.425 3.15 4 125.2 69.7
208 2 1 9 40.919 81.838 0.425 3.15 8 86.9 67.1
209 8 2 1 41.004 82.007 0.426 3.14 8 89.3 70.7
210 8 1 5 41.121 82.243 0.427 3.13 8 60.9 32.7
211 9 1 3 41.143 82.286 0.427 3.12 8 95.0 79.6
212 7 2 4 41.221 82.442 0.428 3.11 8 118.0 122.5
213 10 0 0 41.442 82.885 0.43 3.09 2 29.6 1.9
214 4 3 3 41.502 83.005 0.43 3.09 8 7.0 0.4
215 3 3 4 41.603 83.207 0.431 3.08 8 136.6 162.1
216 5 3 1 41.639 83.279 0.431 3.07 8 75.9 50.0
217 7 0 7 41.645 83.29 0.431 3.07 4 101.1 44.4
218 0 2 8 41.662 83.324 0.431 3.07 4 66.5 19.2
219 5 1 8 41.685 83.37 0.432 3.07 8 54.4 25.6
220 4 2 7 41.698 83.396 0.432 3.07 8 9.2 0.7
221 10 0 1 41.71 83.419 0.432 3.07 4 90.3 35.3
222 0 3 5 41.733 83.467 0.432 3.06 4 108.6 51.0
223 8 2 2 41.806 83.612 0.433 3.06 8 101.0 88.1
224 4 0 9 41.854 83.709 0.433 3.05 4 108.6 50.9
225 1 2 8 41.914 83.829 0.434 3.05 8 52.3 23.5
226 8 0 6 41.962 83.925 0.434 3.04 4 13.0 0.7
227 1 3 5 41.986 83.972 0.434 3.04 8 49.6 21.1
228 3 1 9 42.183 84.366 0.436 3.02 8 17.3 2.6
229 6 0 8 42.366 84.732 0.437 3.01 4 20.7 1.8
230 5 3 2 42.44 84.88 0.438 3.0 8 90.2 68.9
231 10 0 2 42.51 85.019 0.439 2.99 4 66.7 18.8
232 2 2 8 42.671 85.342 0.44 2.98 8 112.2 106.1
233 2 3 5 42.742 85.484 0.441 2.97 8 17.2 2.5
234 0 0 10 42.884 85.768 0.442 2.96 2 150.2 47.2
235 9 1 4 43.01 86.021 0.443 2.95 8 95.5 76.1
236 1 0 10 43.136 86.272 0.444 2.94 4 50.0 10.4
237 8 2 3 43.138 86.276 0.444 2.94 8 25.2 5.3
238 6 2 6 43.275 86.549 0.445 2.93 8 163.4 221.4
239 9 0 5 43.315 86.63 0.445 2.93 4 90.5 33.9
240 4 3 4 43.367 86.735 0.446 2.93 8 50.3 20.9
241 10 1 0 43.535 87.069 0.447 2.92 4 225.5 209.5
242 7 2 5 43.619 87.239 0.448 2.91 8 56.8 26.5
243 7 1 7 43.736 87.472 0.449 2.9 8 8.4 0.6
244 5 3 3 43.77 87.539 0.449 2.9 8 93.4 71.5
245 10 1 1 43.8 87.601 0.449 2.9 8 83.5 57.1
246 10 0 3 43.839 87.678 0.45 2.89 4 24.5 2.5
247 2 0 10 43.89 87.78 0.45 2.89 4 48.3 9.5
248 3 2 8 43.928 87.856 0.45 2.89 8 42.7 14.9
249 4 1 9 43.944 87.888 0.45 2.89 8 54.2 24.0
250 5 2 7 43.964 87.928 0.451 2.89 8 23.6 4.5
251 3 3 5 43.999 87.999 0.451 2.88 8 86.9 61.6
252 8 1 6 44.052 88.103 0.451 2.88 8 3.0 0.1
253 5 0 9 44.119 88.239 0.452 2.88 4 99.9 40.5
254 6 3 0 44.143 88.285 0.452 2.88 4 150.9 92.5
255 6 3 1 44.408 88.816 0.454 2.86 8 93.8 71.1
256 6 1 8 44.454 88.907 0.455 2.86 8 103.3 86.2
257 10 1 2 44.597 89.193 0.456 2.85 8 36.7 10.9
258 1 3 6 44.91 89.821 0.458 2.83 8 52.0 21.6
259 8 2 4 44.997 89.993 0.459 2.83 8 30.1 7.3
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 1 0 1 5.447 10.895 8.11417 236.4 3.4 3.4 5.6
2 2 0 0 7.607 15.214 5.819 113.8 1.6 1.6 5.6
3 2 0 1 8.56 17.12 5.17517 725.4 10.3 10.4 5.6
4 1 0 2 8.705 17.41 5.0896 304.6 4.3 4.4 5.6
5 2 0 2 10.945 21.889 4.05709 3020.5 42.9 43.3 5.6
6 0 1 1 11.683 23.365 3.80407 1136.2 16.2 16.3 5.6
7 3 0 1 12.116 24.233 3.66979 6592.5 93.7 94.3 5.6
8 1 1 1 12.3 24.6 3.61581 2925.6 41.6 41.8 5.6
9 1 0 3 12.393 24.786 3.5891 5383.2 76.5 76.9 5.6
10 2 1 0 13.424 26.847 3.31804 987.1 14.0 14.1 5.6
11 3 0 2 13.93 27.859 3.19978 532.7 7.6 7.6 5.6
12 2 1 1 14.0 28.0 3.18406 5489.3 78.0 78.3 5.6
13 1 1 2 14.091 28.182 3.16382 4759.7 67.7 67.8 5.6
14 4 0 0 15.352 30.704 2.9095 621.8 8.8 8.8 5.6
15 2 1 2 15.611 31.222 2.86238 7033.3 100.0 100.0 5.6
16 0 0 4 15.796 31.591 2.82975 858.8 12.2 12.2 5.6
17 4 0 1 15.864 31.728 2.8179 116.0 1.6 1.6 5.6
18 0 1 3 16.223 32.446 2.75716 694.7 9.9 9.9 5.6
19 1 0 4 16.268 32.537 2.74964 242.9 3.5 3.4 5.6
20 1 1 3 16.685 33.37 2.6829 4211.2 59.9 59.8 5.7
21 4 0 2 17.318 34.637 2.58759 4009.2 57.0 56.8 5.7
22 2 0 4 17.619 35.238 2.5448 1349.5 19.2 19.1 5.7
23 3 1 2 17.886 35.771 2.5081 1770.2 25.2 25.1 5.7
24 2 1 3 18.008 36.016 2.49162 489.5 7.0 6.9 5.7
25 4 1 0 19.043 38.087 2.36077 1676.9 23.8 23.7 5.7
26 4 1 1 19.47 38.939 2.31104 981.2 14.0 13.9 5.7
27 4 0 3 19.531 39.062 2.30402 167.8 2.4 2.4 5.7
28 5 0 1 19.746 39.493 2.27989 154.1 2.2 2.2 5.7
29 1 1 4 19.809 39.619 2.27293 2301.9 32.7 32.5 5.7
30 3 1 3 20.044 40.089 2.24737 813.1 11.6 11.5 5.7
31 1 0 5 20.282 40.564 2.22215 125.2 1.8 1.8 5.7
32 4 1 2 20.704 41.407 2.17881 921.7 13.1 13.0 5.7
33 2 1 4 20.963 41.925 2.15308 1855.8 26.4 26.1 5.7
34 2 0 5 21.414 42.828 2.10977 122.3 1.7 1.7 5.7
35 4 0 4 22.316 44.633 2.02854 153.0 2.2 2.1 5.7
36 0 2 0 22.422 44.843 2.0195 2771.8 39.4 38.9 5.7
37 3 1 4 22.778 45.556 1.98956 1669.2 23.7 23.4 5.7
38 5 1 1 22.828 45.656 1.98543 633.8 9.0 8.9 5.7
39 5 0 3 22.882 45.765 1.98097 762.2 10.8 10.7 5.7
40 0 1 5 22.958 45.917 1.97477 557.3 7.9 7.8 5.7
41 3 0 5 23.201 46.402 1.95524 2395.8 34.1 33.6 5.7
42 1 1 5 23.306 46.611 1.94694 226.7 3.2 3.2 5.7
43 6 0 0 23.398 46.796 1.93967 542.1 7.7 7.6 5.7
44 6 0 1 23.76 47.52 1.9118 84.6 1.2 1.2 5.7
45 5 1 2 23.921 47.842 1.89969 674.4 9.6 9.4 5.7
46 0 0 6 24.099 48.198 1.8865 848.9 12.1 11.9 5.7
47 2 2 1 24.169 48.339 1.88133 72.0 1.0 1.0 5.7
48 6 0 2 24.822 49.643 1.83489 242.8 3.5 3.4 5.7
49 4 1 4 25.146 50.291 1.81276 225.4 3.2 3.1 5.8
50 2 2 2 25.218 50.436 1.8079 500.3 7.1 7.0 5.8
51 5 0 4 25.373 50.745 1.79761 212.3 3.0 3.0 5.8
52 5 1 3 25.664 51.328 1.77857 636.7 9.1 8.9 5.8
53 3 2 1 25.808 51.617 1.76929 1242.5 17.7 17.3 5.8
54 1 2 3 25.954 51.909 1.76001 1636.6 23.3 22.8 5.8
55 6 1 0 26.138 52.277 1.74849 716.9 10.2 10.0 5.8
56 6 1 1 26.472 52.944 1.728 588.9 8.4 8.2 5.8
57 3 2 2 26.81 53.62 1.70781 118.0 1.7 1.6 5.8
58 1 1 6 27.096 54.193 1.69111 179.6 2.6 2.5 5.8
59 6 1 2 27.457 54.914 1.67058 281.7 4.0 3.9 5.8
60 4 2 0 27.665 55.33 1.65902 179.5 2.6 2.5 5.8
61 5 1 4 27.971 55.942 1.6423 480.7 6.8 6.7 5.8
62 2 1 6 28.014 56.029 1.63996 94.5 1.3 1.3 5.8
63 1 2 4 28.245 56.49 1.62766 72.8 1.0 1.0 5.8
64 1 0 7 28.747 57.494 1.60161 176.3 2.5 2.4 5.8
65 6 0 4 28.781 57.561 1.59989 133.6 1.9 1.8 5.8
66 4 2 2 28.936 57.872 1.59203 1294.1 18.4 17.9 5.8
67 6 1 3 29.048 58.096 1.58642 157.5 2.2 2.2 5.8
68 2 2 4 29.139 58.278 1.58191 497.0 7.1 6.9 5.8
69 2 0 7 29.631 59.262 1.55797 136.5 1.9 1.9 5.8
70 7 1 1 30.373 60.745 1.52343 664.6 9.4 9.1 5.8
71 7 0 3 30.417 60.834 1.52141 437.3 6.2 6.0 5.8
72 5 1 5 30.766 61.532 1.50583 151.3 2.2 2.1 5.8
73 1 1 7 31.156 62.312 1.48883 567.5 8.1 7.8 5.8
74 7 1 2 31.277 62.555 1.48365 71.4 1.0 1.0 5.8
75 4 1 6 31.511 63.022 1.47375 756.1 10.8 10.4 5.9
76 2 1 7 32.0 64.0 1.45358 504.9 7.2 6.9 5.9
77 8 0 1 32.266 64.532 1.44288 100.8 1.4 1.4 5.9
78 7 0 4 32.504 65.007 1.43347 153.0 2.2 2.1 5.9
79 4 2 4 32.562 65.124 1.43119 71.3 1.0 1.0 5.9
80 5 2 3 33.003 66.006 1.41418 394.3 5.6 5.4 5.9
81 8 0 2 33.141 66.283 1.40895 122.0 1.7 1.7 5.9
82 3 2 5 33.254 66.507 1.40473 1201.7 17.1 16.4 5.9
83 6 2 0 33.41 66.82 1.39892 347.8 4.9 4.7 5.9
84 6 1 5 33.824 67.648 1.3838 118.6 1.7 1.6 5.9
85 0 2 6 33.969 67.939 1.37858 600.2 8.5 8.2 5.9
86 2 0 8 34.075 68.15 1.37482 132.2 1.9 1.8 5.9
87 6 2 2 34.555 69.11 1.35805 158.8 2.3 2.2 5.9
88 6 0 6 34.721 69.442 1.35236 274.4 3.9 3.7 5.9
89 7 1 4 34.764 69.527 1.35091 104.3 1.5 1.4 5.9
90 5 2 4 35.006 70.013 1.34273 116.6 1.7 1.6 5.9
91 4 1 7 35.267 70.535 1.33406 355.6 5.1 4.8 5.9
92 8 1 2 35.381 70.763 1.33033 238.0 3.4 3.2 5.9
93 1 3 1 35.447 70.895 1.32817 81.5 1.2 1.1 5.9
94 2 3 1 36.24 72.481 1.30296 196.4 2.8 2.6 5.9
95 1 3 2 36.286 72.571 1.30157 300.5 4.3 4.0 6.0
96 9 0 1 36.838 73.676 1.28475 152.3 2.2 2.0 6.0
97 6 1 6 36.917 73.834 1.28239 71.7 1.0 1.0 6.0
98 2 3 2 37.072 74.143 1.27781 287.2 4.1 3.9 6.0
99 7 1 5 37.275 74.55 1.27184 691.3 9.8 9.3 6.0
100 5 1 7 37.632 75.263 1.26155 102.5 1.5 1.4 6.0
101 1 3 3 37.666 75.332 1.26056 269.8 3.8 3.6 6.0
102 1 2 7 37.867 75.734 1.25488 196.7 2.8 2.6 6.0
103 1 0 9 38.027 76.054 1.25039 116.8 1.7 1.6 6.0
104 3 3 2 38.368 76.736 1.24096 110.5 1.6 1.5 6.0
105 2 2 7 38.641 77.282 1.23355 91.9 1.3 1.2 6.0
106 8 1 4 38.694 77.389 1.23212 209.0 3.0 2.8 6.0
107 4 3 0 39.081 78.162 1.22186 105.8 1.5 1.4 6.0
108 7 2 3 39.338 78.675 1.21517 379.8 5.4 5.1 6.0
109 1 3 4 39.571 79.142 1.20917 185.9 2.6 2.5 6.0
110 0 1 9 39.902 79.803 1.2008 184.7 2.6 2.5 6.0
111 4 3 2 40.161 80.323 1.19434 88.6 1.3 1.2 6.0
112 2 3 4 40.336 80.672 1.19005 124.5 1.8 1.6 6.1
113 9 0 4 40.914 81.828 1.17613 136.8 1.9 1.8 6.1
114 8 2 1 41.004 82.007 1.17402 70.7 1.0 0.9 6.1
115 9 1 3 41.143 82.286 1.17075 112.3 1.6 1.5 6.1
116 7 2 4 41.221 82.442 1.16893 122.5 1.7 1.6 6.1
117 3 3 4 41.603 83.207 1.16011 162.1 2.3 2.1 6.1
118 5 3 1 41.639 83.279 1.15929 113.6 1.6 1.5 6.1
119 10 0 1 41.71 83.419 1.1577 112.7 1.6 1.5 6.1
120 8 2 2 41.806 83.612 1.15552 88.1 1.3 1.2 6.1
121 2 2 8 42.671 85.342 1.13647 106.1 1.5 1.4 6.1
122 9 1 4 43.01 86.021 1.12923 76.1 1.1 1.0 6.1
123 6 2 6 43.275 86.549 1.12368 221.4 3.1 2.9 6.1
124 10 1 0 43.535 87.069 1.1183 209.5 3.0 2.7 6.1
125 5 3 3 43.77 87.539 1.11351 71.5 1.0 0.9 6.2
126 6 3 0 44.143 88.285 1.10601 133.1 1.9 1.7 6.2
127 6 3 1 44.408 88.816 1.10077 71.1 1.0 0.9 6.2
128 6 1 8 44.454 88.907 1.09988 86.2 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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