Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
SOUCEKITE
1
CuPbBi[S(1.77)[Se(1.19)Te(0.04)]
Orthorhombic P n2(1)m Z = 4
Pn2(1)m
6 .7 .1994
Ref.Str.:
Edenhrter A., Nowacki W., Tokeughi Y. (1970)
* Z. Kristallogr., 131, 397-417
Ref.Composition & Lattice:
Cech F., Vavrin I. (1979)
* Neues Jb. Miner., Mh., H.7, 289-295
Reserv:
The coordinates of atoms are from bournonite. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.153 alpha = 90.0
b = 8.498 beta = 90.0
c = 8.08 gamma = 90.0
Unit cell volume (cub. angs.) = 559.82
Molar volume ( cub.cm/mol.) = 84.3
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0738 0.9905 0.0 0.0 Pb = 1.00
2 0.5571 0.177 0.5 0.0 Pb = 1.00
3 0.0705 0.0409 0.5 0.0 Bi = 1.00
4 0.5066 0.1496 0.0 0.0 Bi = 1.00
5 0.276 0.4227 0.2438 0.0 Cu = 1.00
6 0.24 0.2792 0.0 0.0 S = 0.6 , Se = 0.4
7 0.2319 0.2886 0.5 0.0 S = 0.6 , Se = 0.4
8 0.1057 0.6387 0.2375 0.0 S = 0.6 , Se = 0.4
9 0.5633 0.4816 0.2683 0.0 S = 0.6 , Se = 0.4
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0738 0.9905 0.0
2 2 0.5571 0.177 0.5
3 3 0.0705 0.0409 0.5
4 4 0.5066 0.1496 0.0
5 5 0.276 0.4227 0.2438
6 6 0.24 0.2792 0.0
7 7 0.2319 0.2886 0.5
8 8 0.1057 0.6387 0.2375
9 9 0.5633 0.4816 0.2683
10 1 0.9262 0.4905 0.5
11 2 0.4429 0.677 0.0
12 3 0.9295 0.5409 0.0
13 4 0.4934 0.6496 0.5
14 5 0.724 0.9227 0.7438
15 6 0.76 0.7792 0.5
16 7 0.7681 0.7886 0.0
17 8 0.8943 0.1387 0.7375
18 9 0.4367 0.9816 0.7683
19 5 0.276 0.4227 0.7562
20 8 0.1057 0.6387 0.7625
21 9 0.5633 0.4816 0.7317
22 5 0.724 0.9227 0.2562
23 8 0.8943 0.1387 0.2625
24 9 0.4367 0.9816 0.2317
X-ray density (g/cm cub.) = 7.5
MU (1/cm) = 1368.636 Mass attenuation coefficient (cm**2/g) = 182.524
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.828 8
2.8023 6
3.5621 8
3.0256 7
2.8681 8
3.5019 9
3.5621 8
2.8681 8
3.5019 9
2 Pb 3.828 8
2.8161 7
3.1956 9
3.7637 6
3.3685 8
2.9014 9
3.1956 9
3.3685 8
2.9014 9
3 Bi 3.756 6
2.4822 7
3.3695 6
2.5374 8
3.7237 9
2.5374 8
3.7237 9
4 Bi 3.756 6
2.4366 6
3.5885 9
3.7361 7
2.422 9
3.5885 9
2.422 9
5 Cu 3.492 4
2.336 6
2.3902 7
2.3015 8
2.4039 9
6 S ,Se 4.632 10
4.0413 7
4.0413 7
3.7704 8
3.8225 9
3.7236 8
3.5312 9
3.7704 8
3.8225 9
3.7236 8
3.5312 9
7 S ,Se 4.632 10
4.0413 6
4.0413 6
3.7956 8
3.6741 9
3.5891 8
3.7804 9
3.7956 8
3.6741 9
3.5891 8
3.7804 9
8 S ,Se 4.632 11
3.7704 6
3.7956 7
3.9702 9
4.6258 9
3.7236 6
3.5891 7
4.2415 8
3.8385 8
4.5898 8
4.5898 8
3.9719 9
9 S ,Se 4.632 11
3.8225 6
3.6741 7
4.6258 8
3.9702 8
3.5312 6
3.7804 7
3.7443 9
4.3357 9
3.9719 8
4.3827 9
4.3827 9
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 5.421 10.843 0.061 221.09 2 42.2 251.2
2 1 1 0 7.523 15.046 0.085 113.72 4 48.5 341.7
3 0 1 1 7.559 15.118 0.085 112.63 4 69.3 690.3
4 1 0 1 7.713 15.427 0.087 108.07 4 59.7 492.4
5 1 1 1 9.321 18.641 0.105 73.32 8 56.2 591.7
6 0 2 0 10.445 20.889 0.118 57.95 2 311.5 3588.9
7 2 0 0 10.892 21.784 0.123 53.12 2 328.3 3654.2
8 0 0 2 10.991 21.983 0.124 52.12 2 394.4 5172.9
9 1 2 0 11.796 23.592 0.133 44.97 4 282.7 4587.8
10 2 1 0 12.097 24.195 0.136 42.66 4 195.5 2081.4
11 2 0 1 12.219 24.437 0.137 41.78 4 83.6 372.4
12 1 0 2 12.286 24.572 0.138 41.3 4 12.9 8.8
13 1 2 1 13.036 26.072 0.146 36.45 8 15.7 23.1
14 2 1 1 13.311 26.622 0.149 34.88 8 41.6 154.0
15 1 1 2 13.373 26.746 0.15 34.54 8 167.9 2485.4
16 2 2 0 15.18 30.36 0.17 26.36 4 370.4 4615.1
17 0 2 2 15.254 30.507 0.171 26.09 4 284.8 2701.3
18 2 0 2 15.571 31.142 0.174 24.96 4 353.2 3974.4
19 2 2 1 16.181 32.362 0.181 22.98 8 127.6 955.6
20 1 2 2 16.233 32.466 0.181 22.82 8 492.3 14114.3
21 2 1 2 16.459 32.917 0.184 22.14 8 362.1 7413.1
22 3 0 0 16.465 32.931 0.184 22.12 2 169.3 404.6
23 1 3 0 16.731 33.461 0.187 21.37 4 247.8 1675.1
24 0 3 1 16.747 33.495 0.187 21.32 4 69.9 133.1
25 3 1 0 17.312 34.624 0.193 19.84 4 394.2 3934.8
26 3 0 1 17.4 34.8 0.194 19.62 4 106.7 285.1
27 0 1 3 17.459 34.917 0.195 19.48 4 46.3 53.4
28 1 0 3 17.529 35.059 0.196 19.31 4 12.4 3.8
29 1 3 1 17.653 35.305 0.197 19.01 8 170.3 1407.0
30 3 1 1 18.208 36.417 0.203 17.76 8 79.7 288.0
31 1 1 3 18.333 36.666 0.204 17.5 8 28.1 35.3
32 2 2 2 18.9 37.8 0.21 16.36 8 215.3 1935.7
33 2 3 0 19.338 38.675 0.215 15.56 4 102.6 209.2
34 3 2 0 19.661 39.322 0.218 14.99 4 251.7 1212.5
35 3 0 2 19.974 39.948 0.222 14.48 4 142.7 376.1
36 2 0 3 20.046 40.093 0.223 14.36 4 69.1 87.4
37 2 3 1 20.156 40.313 0.224 14.19 8 12.9 6.1
38 1 3 2 20.199 40.399 0.224 14.12 8 154.8 863.6
39 3 2 1 20.469 40.937 0.227 13.71 8 39.9 55.7
40 1 2 3 20.582 41.164 0.228 13.54 8 31.1 33.5
41 3 1 2 20.696 41.393 0.229 13.38 8 120.7 497.8
42 2 1 3 20.767 41.533 0.23 13.27 8 6.5 1.4
43 0 4 0 21.258 42.516 0.235 12.6 2 208.3 348.9
44 1 4 0 22.004 44.009 0.243 11.66 4 346.2 1783.0
45 4 0 0 22.204 44.409 0.245 11.42 2 152.2 168.8
46 0 0 4 22.416 44.832 0.248 11.18 2 759.3 4114.0
47 2 3 2 22.464 44.928 0.248 11.13 8 99.6 281.6
48 1 4 1 22.744 45.488 0.251 10.82 8 108.7 326.5
49 3 2 2 22.751 45.501 0.251 10.81 8 156.0 671.8
50 2 2 3 22.816 45.631 0.252 10.74 8 153.3 644.5
51 4 1 0 22.869 45.739 0.252 10.69 4 220.2 661.3
52 4 0 1 22.939 45.878 0.253 10.61 4 100.6 137.0
53 3 3 0 23.128 46.256 0.255 10.42 4 398.1 2107.3
54 1 0 4 23.132 46.265 0.255 10.41 4 30.2 12.1
55 0 3 3 23.243 46.487 0.256 10.3 4 43.6 25.0
56 4 1 1 23.588 47.175 0.26 9.96 8 111.8 318.0
57 3 0 3 23.744 47.488 0.261 9.82 4 65.6 53.9
58 1 1 4 23.777 47.554 0.262 9.78 8 39.1 38.1
59 3 3 1 23.84 47.68 0.262 9.73 8 92.7 213.4
60 1 3 3 23.941 47.881 0.263 9.63 8 158.0 613.9
61 2 4 0 24.133 48.266 0.265 9.46 4 100.4 121.7
62 0 4 2 24.183 48.365 0.266 9.42 4 139.7 234.5
63 3 1 3 24.376 48.753 0.268 9.25 8 73.5 127.4
64 4 2 0 24.781 49.561 0.272 8.91 4 105.5 126.4
65 2 4 1 24.823 49.647 0.273 8.87 8 57.8 75.6
66 1 4 2 24.86 49.72 0.273 8.84 8 439.2 4354.1
67 0 2 4 24.975 49.95 0.274 8.75 4 250.3 699.5
68 4 0 2 25.042 50.084 0.275 8.7 4 119.5 158.5
69 2 0 4 25.187 50.374 0.276 8.58 4 264.6 767.1
70 4 2 1 25.458 50.916 0.279 8.38 8 159.2 541.7
71 1 2 4 25.637 51.274 0.281 8.24 8 249.2 1306.9
72 4 1 2 25.651 51.301 0.281 8.23 8 428.1 3853.0
73 2 1 4 25.793 51.586 0.282 8.13 8 177.4 653.3
74 3 3 2 25.888 51.776 0.283 8.06 8 294.2 1781.1
75 2 3 3 25.947 51.894 0.284 8.02 8 25.2 13.0
76 3 2 3 26.205 52.409 0.287 7.84 8 56.1 63.1
77 2 4 2 26.816 53.632 0.293 7.44 8 223.8 951.5
78 3 4 0 27.401 54.801 0.299 7.09 4 161.7 236.3
79 4 2 2 27.418 54.835 0.299 7.08 8 273.5 1351.0
80 2 2 4 27.554 55.107 0.3 7.0 8 310.7 1724.4
81 1 5 0 27.578 55.156 0.301 6.98 4 183.7 300.9
82 0 5 1 27.589 55.179 0.301 6.98 4 174.0 269.4
83 4 3 0 27.748 55.495 0.302 6.89 4 116.2 118.7
84 3 4 1 28.033 56.066 0.305 6.73 8 210.4 760.6
85 1 4 3 28.122 56.245 0.306 6.68 8 83.5 118.8
86 5 0 0 28.19 56.379 0.307 6.64 2 302.1 386.9
87 1 5 1 28.208 56.415 0.307 6.63 8 165.3 462.9
88 4 0 3 28.29 56.58 0.308 6.59 4 83.9 59.2
89 3 0 4 28.368 56.735 0.308 6.55 4 137.6 158.2
90 4 3 1 28.375 56.75 0.308 6.55 8 128.2 274.7
91 1 3 4 28.541 57.082 0.31 6.46 8 204.9 692.0
92 5 1 0 28.751 57.503 0.312 6.35 4 107.8 94.2
93 5 0 1 28.81 57.621 0.313 6.32 4 88.0 62.5
94 4 1 3 28.85 57.7 0.313 6.3 8 89.8 129.8
95 3 1 4 28.927 57.854 0.314 6.27 8 329.8 1739.6
96 0 1 5 29.026 58.051 0.315 6.22 4 61.6 30.1
97 3 3 3 29.07 58.139 0.315 6.2 8 106.8 180.4
98 1 0 5 29.074 58.147 0.315 6.2 4 77.2 47.1
99 5 1 1 29.365 58.729 0.318 6.06 8 121.0 226.5
100 2 5 0 29.408 58.816 0.319 6.04 4 135.4 141.3
101 1 1 5 29.624 59.249 0.321 5.94 8 69.8 73.9
102 3 4 2 29.877 59.754 0.323 5.83 8 197.7 581.6
103 2 4 3 29.931 59.862 0.324 5.8 8 83.8 104.1
104 2 5 1 30.013 60.026 0.325 5.77 8 156.3 359.7
105 1 5 2 30.045 60.09 0.325 5.75 8 108.0 171.3
106 4 3 2 30.206 60.411 0.327 5.69 8 81.0 95.2
107 2 3 4 30.334 60.667 0.328 5.63 8 89.9 116.2
108 5 2 0 30.397 60.793 0.328 5.61 4 188.8 255.1
109 4 2 3 30.492 60.984 0.329 5.57 8 165.8 390.6
110 3 2 4 30.566 61.133 0.33 5.54 8 218.9 677.4
111 5 0 2 30.625 61.25 0.331 5.51 4 111.4 87.3
112 2 0 5 30.847 61.694 0.333 5.43 4 69.9 33.8
113 5 2 1 30.99 61.979 0.334 5.37 8 52.9 38.3
114 5 1 2 31.159 62.318 0.336 5.31 8 114.7 178.4
115 1 2 5 31.241 62.483 0.337 5.28 8 2.9 0.1
116 2 1 5 31.379 62.758 0.338 5.23 8 58.8 46.1
117 4 4 0 31.582 63.163 0.34 5.15 4 120.2 95.0
118 0 4 4 31.748 63.496 0.342 5.09 4 177.3 204.3
119 2 5 2 31.786 63.571 0.342 5.08 8 190.4 470.3
120 4 4 1 32.162 64.324 0.346 4.95 8 54.9 38.1
121 3 5 0 32.313 64.626 0.347 4.9 4 147.1 135.4
122 1 4 4 32.317 64.633 0.347 4.9 8 307.2 1180.7
123 0 5 3 32.405 64.811 0.348 4.87 4 177.4 195.7
124 4 0 4 32.471 64.941 0.348 4.85 4 135.7 114.0
125 5 2 2 32.732 65.464 0.351 4.77 8 167.0 339.4
126 3 4 3 32.809 65.617 0.352 4.74 8 191.5 444.3
127 3 5 1 32.887 65.773 0.352 4.72 8 62.4 46.9
128 2 2 5 32.946 65.892 0.353 4.7 8 73.4 64.7
129 0 6 0 32.946 65.893 0.353 4.7 2 284.5 242.8
130 1 5 3 32.968 65.936 0.353 4.69 8 181.3 393.7
131 4 1 4 32.988 65.976 0.353 4.69 8 200.6 481.7
132 5 3 0 33.029 66.058 0.354 4.68 4 327.8 641.1
133 4 3 3 33.121 66.241 0.355 4.65 8 100.4 119.7
134 3 3 4 33.192 66.383 0.355 4.63 8 341.8 1380.2
135 0 3 5 33.283 66.565 0.356 4.6 4 83.8 41.3
136 1 6 0 33.504 67.009 0.358 4.54 4 124.5 89.8
137 5 0 3 33.519 67.039 0.358 4.53 4 55.3 17.7
138 5 3 1 33.596 67.193 0.359 4.51 8 97.0 108.3
139 3 0 5 33.681 67.361 0.36 4.49 4 111.1 70.7
140 1 3 5 33.838 67.675 0.361 4.44 8 138.3 217.1
141 4 4 2 33.872 67.744 0.362 4.43 8 117.7 156.7
142 2 4 4 33.992 67.985 0.363 4.4 8 86.1 83.3
143 5 1 3 34.029 68.058 0.363 4.39 8 138.7 215.6
144 1 6 1 34.068 68.135 0.364 4.38 8 80.0 71.6
145 3 1 5 34.189 68.377 0.365 4.35 8 67.8 51.0
146 4 2 4 34.517 69.034 0.368 4.26 8 92.8 93.8
147 6 0 0 34.532 69.064 0.368 4.26 2 308.1 258.0
148 3 5 2 34.578 69.156 0.368 4.25 8 172.7 323.5
149 2 5 3 34.628 69.255 0.369 4.24 8 136.4 201.1
150 0 0 6 34.889 69.778 0.371 4.17 2 309.8 255.6
151 6 1 0 35.035 70.069 0.373 4.14 4 225.4 268.1
152 6 0 1 35.088 70.175 0.373 4.12 4 90.0 42.6
153 2 6 0 35.152 70.304 0.374 4.11 4 338.4 600.4
154 0 6 2 35.191 70.383 0.374 4.1 4 288.1 434.4
155 5 3 2 35.271 70.543 0.375 4.08 8 252.9 666.2
156 1 0 6 35.432 70.865 0.376 4.04 4 2.7 0.0
157 2 3 5 35.478 70.956 0.377 4.03 8 34.4 12.2
158 5 2 3 35.536 71.072 0.377 4.02 8 78.7 63.6
159 6 1 1 35.587 71.173 0.378 4.01 8 177.1 321.0
160 3 2 5 35.693 71.386 0.379 3.99 8 27.9 7.9
161 2 6 1 35.703 71.406 0.379 3.98 8 139.3 197.3
162 1 6 2 35.732 71.465 0.379 3.98 8 118.3 142.2
163 1 1 6 35.929 71.858 0.381 3.93 8 127.1 162.4
164 4 5 0 36.164 72.328 0.383 3.88 4 221.2 242.5
165 6 2 0 36.523 73.047 0.386 3.81 4 190.5 176.5
166 5 4 0 36.548 73.095 0.387 3.81 4 108.2 56.9
167 4 4 3 36.635 73.27 0.387 3.79 8 81.8 64.7
168 3 4 4 36.703 73.406 0.388 3.78 8 144.6 201.7
169 4 5 1 36.709 73.418 0.388 3.78 8 66.8 43.1
170 6 0 2 36.732 73.464 0.388 3.77 4 74.5 26.7
171 1 5 4 36.854 73.708 0.389 3.75 8 161.3 248.9
172 0 2 6 36.872 73.744 0.389 3.74 4 220.7 232.7
173 4 3 4 36.999 73.999 0.391 3.72 8 102.2 99.2
174 2 0 6 37.041 74.083 0.391 3.71 4 283.8 381.5
175 6 2 1 37.066 74.132 0.391 3.71 8 77.1 56.3
176 5 4 1 37.09 74.181 0.391 3.7 8 179.5 304.6
177 6 1 2 37.222 74.444 0.393 3.68 8 152.0 216.9
178 3 5 3 37.318 74.637 0.394 3.66 8 61.8 35.7
179 1 4 5 37.322 74.643 0.394 3.66 8 106.8 106.6
180 2 6 2 37.336 74.673 0.394 3.66 8 145.6 197.9
181 5 0 4 37.38 74.759 0.394 3.65 4 268.9 336.8
182 1 2 6 37.403 74.807 0.394 3.65 8 359.3 1201.6
183 4 0 5 37.466 74.932 0.395 3.64 4 91.9 39.2
184 2 1 6 37.53 75.06 0.395 3.62 8 261.3 631.7
185 3 6 0 37.827 75.654 0.398 3.57 4 188.9 162.8
186 5 1 4 37.866 75.733 0.398 3.57 8 92.2 77.3
187 4 1 5 37.953 75.905 0.399 3.55 8 106.9 103.7
188 5 3 3 37.991 75.982 0.4 3.55 8 96.9 84.9
189 3 3 5 38.144 76.288 0.401 3.52 8 60.7 33.2
190 4 5 2 38.326 76.653 0.403 3.49 8 231.9 479.1
191 3 6 1 38.363 76.727 0.403 3.49 8 203.5 368.5
192 1 6 3 38.44 76.879 0.404 3.47 8 66.8 39.5
193 2 5 4 38.441 76.881 0.404 3.47 8 122.1 132.2
194 6 2 2 38.678 77.356 0.406 3.44 8 80.0 56.2
195 5 4 2 38.702 77.404 0.406 3.43 8 100.2 87.9
196 2 4 5 38.902 77.803 0.408 3.4 8 26.7 6.2
197 6 3 0 38.956 77.911 0.408 3.4 4 85.0 31.3
198 2 2 6 38.982 77.965 0.408 3.39 8 170.3 251.0
199 5 2 4 39.315 78.63 0.411 3.34 8 169.7 245.9
200 4 2 5 39.4 78.8 0.412 3.33 8 121.8 126.1
201 6 0 3 39.415 78.829 0.412 3.33 4 49.2 10.3
202 6 3 1 39.487 78.974 0.413 3.32 8 206.4 361.3
203 3 0 6 39.67 79.34 0.414 3.3 4 117.8 58.4
204 1 3 6 39.818 79.635 0.416 3.28 8 127.2 135.3
205 6 1 3 39.894 79.787 0.416 3.27 8 164.4 225.5
206 1 7 0 39.903 79.806 0.416 3.27 4 130.5 71.1
207 0 7 1 39.913 79.825 0.416 3.27 4 299.1 372.9
208 3 6 2 39.959 79.917 0.417 3.26 8 68.2 38.8
209 2 6 3 40.006 80.012 0.417 3.25 8 130.9 142.3
210 3 1 6 40.148 80.296 0.419 3.24 8 104.4 90.0
211 4 4 4 40.378 80.757 0.421 3.21 8 109.4 98.0
212 1 7 1 40.431 80.863 0.421 3.2 8 56.8 26.4
213 5 5 0 40.892 81.785 0.425 3.15 4 166.5 111.4
214 4 5 3 40.977 81.954 0.426 3.14 8 58.6 27.5
215 3 5 4 41.042 82.085 0.426 3.13 8 131.1 137.4
216 6 3 2 41.071 82.142 0.426 3.13 8 43.9 15.4
217 0 5 5 41.127 82.254 0.427 3.12 4 142.9 81.4
218 6 2 3 41.323 82.646 0.429 3.1 8 83.6 55.4
219 5 4 3 41.346 82.693 0.429 3.1 8 153.9 187.6
220 2 3 6 41.37 82.741 0.429 3.1 8 76.9 46.8
221 7 0 0 41.403 82.805 0.429 3.1 2 131.6 34.2
222 5 5 1 41.418 82.836 0.429 3.09 8 188.2 279.7
223 2 7 0 41.455 82.911 0.43 3.09 4 148.8 87.3
224 4 6 0 41.473 82.946 0.43 3.09 4 84.5 28.2
225 3 4 5 41.496 82.992 0.43 3.09 8 185.2 270.2
226 3 2 6 41.575 83.151 0.431 3.08 8 123.0 118.8
227 0 6 4 41.623 83.245 0.431 3.07 4 252.0 249.1
228 1 5 5 41.642 83.285 0.431 3.07 8 119.9 112.8
229 5 3 4 41.699 83.397 0.432 3.07 8 292.7 670.8
230 4 3 5 41.783 83.565 0.433 3.06 8 128.1 128.0
231 7 1 0 41.877 83.753 0.433 3.05 4 94.4 34.7
232 7 0 1 41.927 83.854 0.434 3.05 4 6.9 0.2
233 2 7 1 41.979 83.959 0.434 3.04 8 194.9 294.9
234 4 6 1 41.997 83.994 0.434 3.04 8 176.9 242.8
235 1 7 2 42.007 84.015 0.434 3.04 8 23.3 4.2
236 1 6 4 42.137 84.274 0.435 3.03 8 110.3 94.0
237 5 0 5 42.151 84.302 0.436 3.02 4 98.5 37.4
238 6 4 0 42.291 84.583 0.437 3.01 4 210.6 170.5
239 0 1 7 42.334 84.668 0.437 3.01 4 27.6 2.9
240 1 0 7 42.375 84.749 0.437 3.0 4 16.6 1.1
241 7 1 1 42.4 84.8 0.438 3.0 8 139.0 148.1
242 3 6 3 42.585 85.171 0.439 2.99 8 155.7 184.8
243 5 1 5 42.624 85.247 0.44 2.98 8 84.5 54.4
244 0 4 6 42.627 85.254 0.44 2.98 4 110.0 46.1
245 6 4 1 42.814 85.628 0.441 2.97 8 17.2 2.2
246 1 1 7 42.847 85.694 0.441 2.97 8 28.7 6.2
247 5 5 2 42.988 85.975 0.443 2.95 8 178.4 240.2
248 6 0 4 43.094 86.187 0.443 2.95 4 273.1 280.5
249 1 4 6 43.14 86.28 0.444 2.94 8 344.1 889.9
250 2 5 5 43.183 86.366 0.444 2.94 8 144.7 157.1
251 4 0 6 43.28 86.559 0.445 2.93 4 92.6 32.1
252 7 2 0 43.294 86.588 0.445 2.93 4 147.7 81.6
253 7 0 2 43.494 86.989 0.447 2.92 4 335.3 418.7
254 2 7 2 43.547 87.093 0.447 2.91 8 175.2 228.2
255 4 6 2 43.564 87.128 0.447 2.91 8 177.9 235.3
256 6 1 4 43.565 87.13 0.447 2.91 8 204.9 312.2
257 2 6 4 43.676 87.351 0.448 2.91 8 303.2 681.7
258 6 3 3 43.686 87.372 0.448 2.9 8 175.7 229.0
259 4 1 6 43.751 87.502 0.449 2.9 8 332.6 818.9
260 7 2 1 43.815 87.631 0.449 2.9 8 34.4 8.7
261 2 0 7 43.912 87.825 0.45 2.89 4 48.9 8.8
262 3 3 6 43.937 87.874 0.45 2.89 8 239.1 421.6
263 7 1 2 43.965 87.931 0.451 2.89 8 168.8 209.9
264 3 7 0 44.021 88.043 0.451 2.88 4 78.1 22.4
265 5 2 5 44.038 88.077 0.451 2.88 8 23.5 4.0
266 0 7 3 44.105 88.21 0.452 2.88 4 267.6 263.1
267 1 2 7 44.261 88.523 0.453 2.87 8 34.4 8.7
268 6 4 2 44.378 88.757 0.454 2.86 8 271.9 540.2
269 2 1 7 44.383 88.767 0.454 2.86 8 16.5 2.0
270 3 7 1 44.542 89.084 0.455 2.85 8 62.4 28.3
271 1 7 3 44.616 89.233 0.456 2.85 8 77.2 43.3
272 4 5 4 44.635 89.27 0.456 2.85 8 203.2 300.1
273 2 4 6 44.675 89.351 0.456 2.85 8 179.0 232.6
274 6 2 4 44.978 89.956 0.459 2.83 8 170.1 208.9
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 5.421 10.843 8.153 251.2 1.8 1.8 5.6
2 1 1 0 7.523 15.046 5.88323 341.7 2.4 2.5 5.6
3 0 1 1 7.559 15.118 5.85562 690.3 4.9 5.0 5.6
4 1 0 1 7.713 15.427 5.73906 492.4 3.5 3.5 5.6
5 1 1 1 9.321 18.641 4.75606 591.7 4.2 4.2 5.6
6 0 2 0 10.445 20.889 4.249 3588.9 25.4 25.7 5.6
7 2 0 0 10.892 21.784 4.0765 3654.2 25.9 26.1 5.6
8 0 0 2 10.991 21.983 4.04 5172.9 36.6 37.0 5.6
9 1 2 0 11.796 23.592 3.768 4587.8 32.5 32.7 5.6
10 2 1 0 12.097 24.195 3.67549 2081.4 14.7 14.8 5.6
11 2 0 1 12.219 24.437 3.63953 372.4 2.6 2.7 5.6
12 2 1 1 13.311 26.622 3.34561 154.0 1.1 1.1 5.6
13 1 1 2 13.373 26.746 3.33038 2485.4 17.6 17.7 5.6
14 2 2 0 15.18 30.36 2.94161 4615.1 32.7 32.8 5.6
15 0 2 2 15.254 30.507 2.92781 2701.3 19.1 19.2 5.6
16 2 0 2 15.571 31.142 2.86953 3974.4 28.2 28.2 5.6
17 2 2 1 16.181 32.362 2.76413 955.6 6.8 6.8 5.6
18 1 2 2 16.233 32.466 2.75552 14114.3 100.0 100.0 5.6
19 2 1 2 16.459 32.917 2.71872 7817.7 55.4 55.4 5.6
20 1 3 0 16.731 33.461 2.67577 1808.1 12.8 12.8 5.7
21 3 1 0 17.312 34.624 2.58852 3934.8 27.9 27.8 5.7
22 3 0 1 17.4 34.8 2.57587 285.1 2.0 2.0 5.7
23 1 3 1 17.653 35.305 2.54011 1407.0 10.0 9.9 5.7
24 3 1 1 18.208 36.417 2.46511 288.0 2.0 2.0 5.7
25 2 2 2 18.9 37.8 2.37803 1935.7 13.7 13.6 5.7
26 2 3 0 19.338 38.675 2.3262 209.2 1.5 1.5 5.7
27 3 2 0 19.661 39.322 2.28943 1212.5 8.6 8.5 5.7
28 3 0 2 19.974 39.948 2.25495 376.1 2.7 2.6 5.7
29 1 3 2 20.199 40.399 2.23084 863.6 6.1 6.1 5.7
30 3 1 2 20.696 41.393 2.17952 497.8 3.5 3.5 5.7
31 0 4 0 21.258 42.516 2.1245 348.9 2.5 2.4 5.7
32 1 4 0 22.004 44.009 2.05585 1783.0 12.6 12.5 5.7
33 4 0 0 22.204 44.409 2.03825 168.8 1.2 1.2 5.7
34 0 0 4 22.416 44.832 2.02 4114.0 29.1 28.8 5.7
35 2 3 2 22.464 44.928 2.0159 281.6 2.0 2.0 5.7
36 3 2 2 22.751 45.501 1.99183 998.3 7.1 7.0 5.7
37 2 2 3 22.816 45.631 1.98646 644.5 4.6 4.5 5.7
38 4 1 0 22.869 45.739 1.98204 661.3 4.7 4.6 5.7
39 3 3 0 23.128 46.256 1.96108 2119.4 15.0 14.8 5.7
40 4 1 1 23.588 47.175 1.92497 318.0 2.3 2.2 5.7
41 3 3 1 23.84 47.68 1.90575 213.4 1.5 1.5 5.7
42 1 3 3 23.941 47.881 1.89823 613.9 4.3 4.3 5.7
43 0 4 2 24.183 48.365 1.88036 234.5 1.7 1.6 5.7
44 1 4 2 24.86 49.72 1.83226 4354.1 30.8 30.3 5.7
45 0 2 4 24.975 49.95 1.82433 699.5 5.0 4.9 5.7
46 4 0 2 25.042 50.084 1.81977 158.5 1.1 1.1 5.7
47 2 0 4 25.187 50.374 1.80997 767.1 5.4 5.3 5.8
48 4 2 1 25.458 50.916 1.79198 541.7 3.8 3.8 5.8
49 4 1 2 25.651 51.301 1.77942 5159.9 36.6 35.8 5.8
50 2 1 4 25.793 51.586 1.77026 653.3 4.6 4.5 5.8
51 3 3 2 25.888 51.776 1.76421 1781.1 12.6 12.4 5.8
52 2 4 2 26.816 53.632 1.70746 951.5 6.7 6.6 5.8
53 4 2 2 27.418 54.835 1.6728 1587.4 11.2 11.0 5.8
54 2 2 4 27.554 55.107 1.66519 2025.3 14.3 14.0 5.8
55 0 5 1 27.589 55.179 1.6632 269.4 1.9 1.9 5.8
56 3 4 1 28.033 56.066 1.63897 760.6 5.4 5.3 5.8
57 1 5 1 28.208 56.415 1.62964 849.9 6.0 5.9 5.8
58 4 3 1 28.375 56.75 1.62083 432.9 3.1 3.0 5.8
59 1 3 4 28.541 57.082 1.61218 692.0 4.9 4.8 5.8
60 3 1 4 28.927 57.854 1.59249 1739.6 12.3 12.0 5.8
61 3 3 3 29.07 58.139 1.58535 227.6 1.6 1.6 5.8
62 5 1 1 29.365 58.729 1.57083 226.5 1.6 1.6 5.8
63 2 5 0 29.408 58.816 1.56872 141.3 1.0 1.0 5.8
64 3 4 2 29.877 59.754 1.54631 581.6 4.1 4.0 5.8
65 2 5 1 30.013 60.026 1.53996 359.7 2.5 2.5 5.8
66 1 5 2 30.045 60.09 1.53847 171.3 1.2 1.2 5.8
67 5 2 0 30.397 60.793 1.52235 255.1 1.8 1.7 5.8
68 4 2 3 30.492 60.984 1.51803 390.6 2.8 2.7 5.8
69 3 2 4 30.566 61.133 1.5147 677.4 4.8 4.6 5.8
70 5 1 2 31.159 62.318 1.4887 178.4 1.3 1.2 5.8
71 0 4 4 31.748 63.496 1.46391 204.3 1.4 1.4 5.9
72 2 5 2 31.786 63.571 1.46234 470.3 3.3 3.2 5.9
73 1 4 4 32.317 64.633 1.44086 1316.1 9.3 9.0 5.9
74 0 5 3 32.405 64.811 1.43734 195.7 1.4 1.3 5.9
75 5 2 2 32.732 65.464 1.42457 339.4 2.4 2.3 5.9
76 3 4 3 32.809 65.617 1.42161 444.3 3.1 3.0 5.9
77 1 5 3 32.968 65.936 1.41551 1182.8 8.4 8.0 5.9
78 5 3 0 33.029 66.058 1.41319 641.1 4.5 4.4 5.9
79 3 3 4 33.192 66.383 1.40706 1380.2 9.8 9.4 5.9
80 1 3 5 33.838 67.675 1.3833 217.1 1.5 1.5 5.9
81 4 4 2 33.872 67.744 1.38207 156.7 1.1 1.1 5.9
82 5 1 3 34.029 68.058 1.37646 215.6 1.5 1.5 5.9
83 6 0 0 34.532 69.064 1.35883 351.8 2.5 2.4 5.9
84 3 5 2 34.578 69.156 1.35725 323.5 2.3 2.2 5.9
85 2 5 3 34.628 69.255 1.35555 201.1 1.4 1.4 5.9
86 0 0 6 34.889 69.778 1.34667 255.6 1.8 1.7 5.9
87 6 1 0 35.035 70.069 1.34179 268.1 1.9 1.8 5.9
88 2 6 0 35.152 70.304 1.33788 600.4 4.3 4.1 5.9
89 0 6 2 35.191 70.383 1.33658 434.4 3.1 2.9 5.9
90 5 3 2 35.271 70.543 1.33393 666.2 4.7 4.5 5.9
91 6 1 1 35.587 71.173 1.32366 321.0 2.3 2.2 5.9
92 2 6 1 35.703 71.406 1.31991 347.4 2.5 2.3 5.9
93 1 1 6 35.929 71.858 1.31272 162.4 1.2 1.1 5.9
94 4 5 0 36.164 72.328 1.30534 242.5 1.7 1.6 5.9
95 6 2 0 36.523 73.047 1.29426 233.5 1.7 1.6 6.0
96 3 4 4 36.703 73.406 1.28882 271.4 1.9 1.8 6.0
97 1 5 4 36.854 73.708 1.28427 481.6 3.4 3.2 6.0
98 2 0 6 37.041 74.083 1.2787 437.8 3.1 2.9 6.0
99 5 4 1 37.09 74.181 1.27726 304.6 2.2 2.0 6.0
100 6 1 2 37.222 74.444 1.27339 216.9 1.5 1.5 6.0
101 2 6 2 37.336 74.673 1.27005 340.2 2.4 2.3 6.0
102 1 2 6 37.403 74.807 1.26811 1538.4 10.9 10.3 6.0
103 2 1 6 37.53 75.06 1.26447 631.7 4.5 4.2 6.0
104 3 6 0 37.827 75.654 1.256 162.8 1.2 1.1 6.0
105 4 5 2 38.326 76.653 1.24211 479.1 3.4 3.2 6.0
106 3 6 1 38.363 76.727 1.24109 368.5 2.6 2.5 6.0
107 2 5 4 38.441 76.881 1.23898 171.7 1.2 1.1 6.0
108 5 4 2 38.702 77.404 1.23192 144.1 1.0 1.0 6.0
109 2 2 6 38.982 77.965 1.22446 282.4 2.0 1.9 6.0
110 5 2 4 39.315 78.63 1.21575 245.9 1.7 1.6 6.0
111 6 3 1 39.487 78.974 1.21132 361.3 2.6 2.4 6.0
112 0 7 1 39.913 79.825 1.20053 669.5 4.7 4.4 6.0
113 2 6 3 40.006 80.012 1.1982 142.3 1.0 0.9 6.0
114 3 5 4 41.042 82.085 1.1731 152.8 1.1 1.0 6.1
115 5 4 3 41.346 82.693 1.16602 289.9 2.1 1.9 6.1
116 5 5 1 41.418 82.836 1.16436 313.9 2.2 2.1 6.1
117 3 4 5 41.496 82.992 1.16257 270.2 1.9 1.8 6.1
118 0 6 4 41.623 83.245 1.15968 361.9 2.6 2.4 6.1
119 5 3 4 41.699 83.397 1.15795 670.8 4.8 4.4 6.1
120 2 7 1 41.979 83.959 1.15162 541.9 3.8 3.6 6.1
121 6 4 0 42.291 84.583 1.14471 170.5 1.2 1.1 6.1
122 7 1 1 42.4 84.8 1.14234 149.2 1.1 1.0 6.1
123 3 6 3 42.585 85.171 1.13831 184.8 1.3 1.2 6.1
124 5 5 2 42.988 85.975 1.12971 240.2 1.7 1.6 6.1
125 6 0 4 43.094 86.187 1.12747 280.5 2.0 1.8 6.1
126 1 4 6 43.14 86.28 1.1265 889.9 6.3 5.8 6.1
127 2 5 5 43.183 86.366 1.1256 157.1 1.1 1.0 6.1
128 7 0 2 43.494 86.989 1.11913 418.7 3.0 2.7 6.1
129 6 1 4 43.565 87.13 1.11768 775.8 5.5 5.0 6.2
130 2 6 4 43.676 87.351 1.11542 910.7 6.5 5.9 6.2
131 4 1 6 43.751 87.502 1.11389 818.9 5.8 5.3 6.2
132 3 3 6 43.937 87.874 1.11013 640.4 4.5 4.2 6.2
133 0 7 3 44.105 88.21 1.10677 263.1 1.9 1.7 6.2
134 6 4 2 44.378 88.757 1.10136 542.2 3.8 3.5 6.2
135 4 5 4 44.635 89.27 1.09635 343.4 2.4 2.2 6.2
136 2 4 6 44.675 89.351 1.09557 232.6 1.6 1.5 6.2
137 6 2 4 44.978 89.956 1.08976 208.9 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)
|