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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DERRIKSITE
1
Cu(4)[UO(2)][SeO(3)](2)(OH)(6)
Orthorhombic P n2(1)m Z = 2
R =0.031 NR =1542
27 .11 .1996
Ref.Str.:
Ginderow P.D., Cesbron F. (1983)
* Acta Cryst., C 39, 1605-1607
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.57 alpha = 90.0
b = 19.088 beta = 90.0
c = 5.965 gamma = 90.0
Unit cell volume (cub. angs.) = 634.2
Molar volume ( cub.cm/mol.) = 191.0
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6848 0.0 0.0 1.15 U = 1.00
2 0.9921 0.4172 0.0 1.29 Se = 1.00
3 0.6389 0.5797 0.0 1.35 Se = 1.00
4 0.6033 0.2512 0.0 0.83 Cu = 1.00
5 0.3877 0.7535 0.0 0.78 Cu = 1.00
6 0.108 0.2455 0.2498 0.85 Cu = 1.00
7 0.9525 0.0509 0.0 2.8 O = 1.00
8 0.4119 0.9523 0.0 2.8 O = 1.00
9 0.9419 0.3326 0.0 1.3 O = 1.00
10 0.6926 0.6648 0.0 1.4 O = 1.00
11 0.1809 0.4271 0.2207 2.2 O = 1.00
12 0.442 0.5739 0.2173 2.4 O = 1.00
13 0.0093 0.7993 0.0 0.9 OH = 1.00
14 0.7804 0.2062 0.2467 0.8 OH = 1.00
15 0.4292 0.2954 0.2516 0.9 OH = 1.00
16 0.2282 0.1946 0.0 0.9 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6848 0.0 0.0
2 2 0.9921 0.4172 0.0
3 3 0.6389 0.5797 0.0
4 4 0.6033 0.2512 0.0
5 5 0.3877 0.7535 0.0
6 6 0.108 0.2455 0.2498
7 7 0.9525 0.0509 0.0
8 8 0.4119 0.9523 0.0
9 9 0.9419 0.3326 0.0
10 10 0.6926 0.6648 0.0
11 11 0.1809 0.4271 0.2207
12 12 0.442 0.5739 0.2173
13 13 0.0093 0.7993 0.0
14 14 0.7804 0.2062 0.2467
15 15 0.4292 0.2954 0.2516
16 16 0.2282 0.1946 0.0
17 1 0.3152 0.5 0.5
18 2 0.0079 0.9172 0.5
19 3 0.3611 0.0797 0.5
20 4 0.3967 0.7512 0.5
21 5 0.6123 0.2535 0.5
22 6 0.892 0.7455 0.7498
23 7 0.0475 0.5509 0.5
24 8 0.5881 0.4523 0.5
25 9 0.0581 0.8326 0.5
26 10 0.3074 0.1648 0.5
27 11 0.8191 0.9271 0.7207
28 12 0.558 0.0739 0.7173
29 13 0.9907 0.2993 0.5
30 14 0.2196 0.7062 0.7467
31 15 0.5708 0.7954 0.7516
32 16 0.7718 0.6946 0.5
33 6 0.108 0.2455 0.7502
34 11 0.1809 0.4271 0.7793
35 12 0.442 0.5739 0.7827
36 14 0.7804 0.2062 0.7533
37 15 0.4292 0.2954 0.7484
38 6 0.892 0.7455 0.2502
39 11 0.8191 0.9271 0.2793
40 12 0.558 0.0739 0.2827
41 14 0.2196 0.7062 0.2533
42 15 0.5708 0.7954 0.2484
X-ray density (g/cm cub.) = 4.61
MU (1/cm) = 598.416 Mass attenuation coefficient (cm**2/g) = 129.875
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 U 2.928 6
1.7797 7
1.7719 8
2.296 11
2.3092 12
2.296 11
2.3092 12
2 Se 2.508 3
1.6389 9
1.6955 11
1.6955 11
3 Se 2.508 3
1.6517 10
1.7015 12
1.7015 12
4 Cu 2.856 6
2.4436 9
1.9689 14
1.976 15
2.3521 16
1.9689 14
1.976 15
5 Cu 2.856 6
2.3981 10
2.2818 13
1.9937 14
1.9686 15
1.9937 14
1.9686 15
6 Cu 2.856 6
2.4167 9
1.973 14
2.0269 15
1.9007 16
2.4153 10
1.9258 13
7 O 3.312 6
3.1765 8
3.1436 16
2.9853 11
2.8044 12
2.9853 11
2.8044 12
8 O 3.312 5
3.1765 7
2.8551 11
2.9822 12
2.8551 11
2.9822 12
9 O 3.312 11
2.5998 11
2.9658 14
3.1818 15
3.3033 15
3.0792 16
3.0616 13
3.0616 13
2.5998 11
2.9658 14
3.1818 15
3.3033 15
10 O 3.312 9
2.5766 12
3.115 13
3.1382 14
2.9783 15
3.0681 16
3.0681 16
2.5766 12
3.1382 14
2.9783 15
11 O 3.312 7
2.5998 9
3.1571 12
2.8751 15
2.9853 7
2.8551 8
3.1383 13
2.633 11
12 O 3.312 6
2.5766 10
3.1571 11
2.8044 7
2.9822 8
2.5924 12
2.821 14
13 OH 3.36 9
3.115 10
3.0616 9
3.0616 9
3.1383 11
2.6102 14
2.8577 15
3.1383 11
2.6102 14
2.8577 15
14 OH 3.36 8
2.9658 9
2.5936 15
2.9044 16
3.1382 10
2.6102 13
3.0219 14
2.9431 14
2.821 12
15 OH 3.36 9
3.3033 9
3.1818 9
2.8751 11
2.5936 14
2.6847 16
2.9783 10
2.8577 13
2.9634 15
3.0016 15
16 OH 3.36 8
3.1436 7
3.0792 9
2.9044 14
2.6847 15
3.0681 10
3.0681 10
2.9044 14
2.6847 15
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 4.629 9.259 0.052 304.06 2 6.2 5.9
2 0 1 1 7.775 15.551 0.088 106.32 4 68.3 493.8
3 1 0 0 7.949 15.898 0.09 101.63 2 51.9 136.1
4 1 1 0 8.283 16.566 0.094 93.43 4 130.9 1592.1
5 1 2 0 9.214 18.428 0.104 75.08 4 116.9 1020.6
6 0 4 0 9.289 18.578 0.105 73.83 2 317.4 3697.5
7 0 3 1 10.195 20.391 0.115 60.92 4 168.0 1710.4
8 1 3 0 10.591 21.182 0.119 56.3 4 162.1 1471.8
9 1 0 1 10.907 21.813 0.123 52.97 4 181.4 1733.3
10 1 1 1 11.155 22.31 0.126 50.54 8 95.4 915.7
11 1 2 1 11.871 23.741 0.134 44.38 8 167.8 2487.1
12 1 4 0 12.272 24.544 0.138 41.39 4 131.7 713.9
13 1 3 1 12.981 25.962 0.146 36.78 8 137.5 1382.2
14 0 5 1 13.86 27.721 0.155 32.01 4 261.8 2181.9
15 0 6 0 14.012 28.024 0.157 31.28 2 161.6 406.4
16 1 5 0 14.159 28.318 0.159 30.59 4 151.1 695.0
17 1 4 1 14.401 28.802 0.161 29.51 8 114.5 769.9
18 0 0 2 14.967 29.934 0.168 27.17 2 230.3 716.5
19 0 2 2 15.699 31.398 0.176 24.52 4 199.9 974.8
20 2 0 0 16.056 32.113 0.18 23.36 2 5.5 0.3
21 1 5 1 16.058 32.116 0.18 23.36 8 65.6 199.7
22 1 6 0 16.191 32.381 0.181 22.94 4 67.5 104.0
23 2 1 0 16.231 32.462 0.181 22.82 4 141.2 452.8
24 2 2 0 16.745 33.49 0.187 21.33 4 120.0 305.6
25 1 0 2 17.035 34.071 0.19 20.55 4 133.5 364.0
26 1 1 2 17.201 34.402 0.192 20.12 8 90.8 329.8
27 2 3 0 17.573 35.145 0.196 19.2 4 197.0 740.9
28 1 2 2 17.69 35.381 0.197 18.92 8 102.1 392.5
29 0 4 2 17.732 35.463 0.198 18.83 4 87.3 142.7
30 2 0 1 17.773 35.545 0.198 18.73 4 132.8 328.6
31 1 6 1 17.896 35.791 0.199 18.45 8 101.2 376.2
32 2 1 1 17.933 35.865 0.2 18.37 8 120.2 527.5
33 0 7 1 18.095 36.19 0.202 18.01 4 190.5 650.0
34 1 7 0 18.331 36.663 0.204 17.5 4 126.3 277.6
35 2 2 1 18.405 36.81 0.205 17.35 8 122.9 521.5
36 1 3 2 18.481 36.962 0.206 17.19 8 198.0 1340.5
37 2 4 0 18.677 37.355 0.208 16.8 4 84.6 119.4
38 0 8 0 18.834 37.669 0.21 16.49 2 149.6 183.5
39 2 3 1 19.17 38.34 0.213 15.86 8 103.9 340.2
40 1 4 2 19.541 39.083 0.217 15.2 8 196.9 1172.3
41 1 7 1 19.876 39.753 0.221 14.64 8 52.9 81.6
42 2 5 0 20.021 40.041 0.222 14.4 4 226.0 731.5
43 2 4 1 20.2 40.4 0.224 14.12 8 79.6 178.1
44 1 8 0 20.561 41.122 0.228 13.57 4 68.7 63.7
45 0 6 2 20.733 41.466 0.23 13.32 4 87.9 102.3
46 1 5 2 20.838 41.675 0.231 13.17 8 163.4 699.8
47 2 5 1 21.463 42.926 0.238 12.33 8 58.7 84.4
48 2 6 0 21.567 43.134 0.239 12.2 4 171.5 356.6
49 1 8 1 21.974 43.949 0.243 11.69 8 101.2 238.0
50 2 0 2 22.236 44.471 0.246 11.39 4 34.0 13.1
51 1 6 2 22.338 44.676 0.247 11.27 8 67.9 103.3
52 2 1 2 22.369 44.737 0.247 11.23 8 48.1 51.6
53 0 9 1 22.672 45.345 0.25 10.9 4 151.1 247.4
54 2 2 2 22.763 45.527 0.251 10.8 8 94.9 193.4
55 1 9 0 22.869 45.738 0.252 10.69 4 125.2 166.6
56 0 1 3 22.923 45.846 0.253 10.63 4 76.7 62.2
57 2 6 1 22.93 45.861 0.253 10.62 8 59.0 73.6
58 2 7 0 23.287 46.574 0.257 10.26 4 198.4 401.5
59 2 3 2 23.41 46.82 0.258 10.14 8 124.3 311.3
60 0 10 0 23.8 47.6 0.262 9.76 2 18.5 1.7
61 0 3 3 23.946 47.892 0.263 9.63 4 133.4 170.4
62 1 7 2 24.014 48.029 0.264 9.57 8 207.8 821.3
63 1 9 1 24.175 48.349 0.266 9.42 8 81.8 125.3
64 1 0 3 24.289 48.578 0.267 9.32 4 154.2 220.4
65 2 4 2 24.293 48.586 0.267 9.32 8 107.6 214.6
66 1 1 3 24.413 48.827 0.268 9.21 8 72.9 97.3
67 0 8 2 24.42 48.841 0.268 9.21 4 91.5 76.6
68 3 0 0 24.511 49.023 0.269 9.13 2 179.0 145.5
69 2 7 1 24.576 49.151 0.27 9.08 8 64.0 74.0
70 3 1 0 24.635 49.269 0.271 9.03 4 59.9 32.2
71 1 2 3 24.783 49.566 0.272 8.9 8 140.7 350.4
72 3 2 0 25.002 50.004 0.274 8.73 4 147.0 187.6
73 2 8 0 25.158 50.315 0.276 8.61 4 85.0 61.8
74 1 10 0 25.251 50.501 0.277 8.53 4 129.5 142.4
75 1 3 3 25.391 50.781 0.278 8.43 8 88.7 131.8
76 2 5 2 25.394 50.789 0.278 8.42 8 98.9 163.7
77 3 3 0 25.606 51.211 0.281 8.27 4 44.7 16.5
78 3 0 1 25.754 51.508 0.282 8.16 4 4.2 0.1
79 1 8 2 25.845 51.691 0.283 8.09 8 210.4 712.4
80 3 1 1 25.873 51.746 0.283 8.07 8 51.4 42.4
81 0 5 3 25.9 51.799 0.284 8.05 4 186.1 277.6
82 1 4 3 26.224 52.448 0.287 7.83 8 86.9 117.5
83 3 2 1 26.228 52.455 0.287 7.83 8 39.0 23.7
84 2 8 1 26.378 52.756 0.288 7.73 8 71.1 77.8
85 3 4 0 26.434 52.868 0.289 7.69 4 77.7 46.2
86 1 10 1 26.468 52.936 0.289 7.67 8 110.3 185.5
87 2 6 2 26.695 53.391 0.292 7.52 8 116.5 202.8
88 3 3 1 26.811 53.623 0.293 7.44 8 117.2 203.3
89 2 9 0 27.162 54.324 0.296 7.23 4 221.9 353.9
90 1 5 3 27.269 54.537 0.297 7.16 8 39.0 21.6
91 3 5 0 27.473 54.947 0.299 7.04 4 32.7 7.5
92 0 11 1 27.535 55.071 0.3 7.01 4 31.9 7.1
93 3 4 1 27.614 55.229 0.301 6.96 8 51.5 36.7
94 1 11 0 27.706 55.412 0.302 6.91 4 105.4 76.4
95 1 9 2 27.815 55.63 0.303 6.85 8 179.3 438.0
96 2 7 2 28.179 56.357 0.307 6.65 8 145.0 278.0
97 2 9 1 28.322 56.644 0.308 6.57 8 84.8 93.9
98 2 0 3 28.424 56.849 0.309 6.52 4 108.6 76.5
99 1 6 3 28.51 57.02 0.31 6.48 8 70.0 63.2
100 2 1 3 28.536 57.072 0.31 6.46 8 100.0 128.5
101 3 5 1 28.625 57.249 0.311 6.42 8 164.4 344.9
102 0 10 2 28.627 57.255 0.311 6.42 4 115.7 85.5
103 0 7 3 28.65 57.299 0.311 6.4 4 140.8 126.2
104 3 6 0 28.709 57.418 0.312 6.37 4 59.4 22.4
105 1 11 1 28.851 57.703 0.313 6.3 8 78.3 76.8
106 2 2 3 28.868 57.736 0.313 6.29 8 106.8 142.7
107 0 12 0 28.963 57.927 0.314 6.25 2 317.5 313.2
108 3 0 2 29.255 58.509 0.317 6.11 4 287.8 503.1
109 2 10 0 29.29 58.58 0.318 6.09 4 103.8 65.3
110 3 1 2 29.364 58.728 0.318 6.06 8 178.1 382.1
111 2 3 3 29.416 58.833 0.319 6.03 8 92.2 102.0
112 3 2 2 29.69 59.381 0.322 5.91 8 69.6 57.0
113 3 6 1 29.829 59.658 0.323 5.85 8 60.3 42.4
114 2 8 2 29.829 59.658 0.323 5.85 8 101.8 120.6
115 1 10 2 29.912 59.824 0.324 5.81 8 102.4 121.1
116 1 7 3 29.934 59.867 0.324 5.8 8 37.3 16.0
117 3 7 0 30.126 60.253 0.326 5.72 4 15.1 1.3
118 2 4 3 30.174 60.348 0.326 5.7 8 71.8 58.4
119 3 3 2 30.23 60.459 0.327 5.68 8 175.4 347.2
120 1 12 0 30.239 60.478 0.327 5.67 4 32.5 6.0
121 2 10 1 30.397 60.793 0.328 5.61 8 104.8 122.6
122 3 4 2 30.975 61.95 0.334 5.38 8 133.4 190.3
123 0 0 4 31.1 62.2 0.335 5.33 2 406.2 437.2
124 2 5 3 31.131 62.262 0.336 5.32 8 54.1 31.0
125 3 7 1 31.215 62.431 0.336 5.29 8 146.2 224.8
126 1 12 1 31.326 62.651 0.337 5.25 8 137.4 197.1
127 0 2 4 31.52 63.041 0.339 5.17 4 21.6 2.4
128 1 8 3 31.527 63.054 0.339 5.17 8 75.3 58.3
129 2 11 0 31.534 63.069 0.339 5.17 4 142.6 104.6
130 2 9 2 31.635 63.27 0.34 5.13 8 73.0 54.4
131 3 8 0 31.714 63.428 0.341 5.11 4 76.1 29.4
132 3 5 2 31.918 63.836 0.343 5.03 8 116.1 134.9
133 0 9 3 32.074 64.149 0.345 4.98 4 115.4 66.0
134 1 11 2 32.131 64.262 0.345 4.96 8 102.4 103.5
135 2 6 3 32.279 64.558 0.347 4.91 8 51.0 25.5
136 1 0 4 32.325 64.651 0.347 4.9 4 29.9 4.4
137 1 1 4 32.428 64.857 0.348 4.86 8 75.8 55.6
138 2 11 1 32.596 65.193 0.35 4.81 8 115.3 127.1
139 0 13 1 32.702 65.403 0.351 4.78 4 20.0 1.9
140 1 2 4 32.737 65.474 0.351 4.77 8 62.2 36.7
141 0 4 4 32.763 65.526 0.351 4.76 4 219.2 227.4
142 3 8 1 32.773 65.546 0.351 4.75 8 52.8 26.4
143 1 13 0 32.856 65.711 0.352 4.73 4 51.4 12.4
144 3 6 2 33.051 66.102 0.354 4.67 8 35.3 11.6
145 1 3 4 33.248 66.495 0.356 4.61 8 102.9 97.1
146 1 9 3 33.28 66.56 0.356 4.6 8 60.1 33.1
147 0 12 2 33.286 66.572 0.356 4.6 4 181.6 150.8
148 3 9 0 33.462 66.924 0.358 4.55 4 57.3 14.8
149 4 0 0 33.584 67.169 0.359 4.51 2 114.2 29.3
150 2 10 2 33.588 67.175 0.359 4.51 8 82.1 60.4
151 2 7 3 33.608 67.216 0.359 4.51 8 55.1 27.2
152 4 1 0 33.685 67.371 0.36 4.49 4 82.0 30.0
153 2 12 0 33.895 67.79 0.362 4.43 4 26.5 3.1
154 1 13 1 33.896 67.791 0.362 4.43 8 63.0 34.9
155 1 4 4 33.956 67.912 0.363 4.41 8 79.4 55.4
156 4 2 0 33.988 67.976 0.363 4.4 4 112.4 55.3
157 3 7 2 34.365 68.73 0.366 4.3 8 91.3 71.4
158 0 14 0 34.399 68.799 0.367 4.29 2 43.8 4.1
159 1 12 2 34.47 68.94 0.367 4.28 8 135.8 156.8
160 4 3 0 34.49 68.979 0.368 4.27 4 134.5 76.8
161 3 9 1 34.493 68.986 0.368 4.27 8 108.6 100.1
162 3 0 3 34.585 69.17 0.368 4.25 4 0.9 0.0
163 4 0 1 34.613 69.227 0.369 4.24 4 134.9 76.8
164 3 1 3 34.685 69.369 0.369 4.22 8 34.2 9.8
165 4 1 1 34.713 69.426 0.37 4.21 8 36.3 11.1
166 0 6 4 34.783 69.565 0.37 4.2 4 100.6 42.3
167 1 5 4 34.857 69.713 0.371 4.18 8 105.2 91.9
168 2 12 1 34.92 69.839 0.372 4.16 8 105.8 92.7
169 3 2 3 34.983 69.966 0.372 4.15 8 33.2 9.1
170 4 2 1 35.012 70.023 0.372 4.14 8 117.5 113.8
171 2 8 3 35.11 70.22 0.373 4.12 8 62.4 31.9
172 4 4 0 35.186 70.372 0.374 4.1 4 139.3 79.2
173 1 10 3 35.186 70.373 0.374 4.1 8 91.1 67.7
174 3 10 0 35.363 70.727 0.376 4.06 4 107.1 46.4
175 3 3 3 35.478 70.956 0.377 4.03 8 95.6 73.3
176 4 3 1 35.506 71.013 0.377 4.03 8 65.4 34.2
177 1 14 0 35.566 71.132 0.378 4.01 4 53.4 11.4
178 2 11 2 35.683 71.366 0.379 3.99 8 104.1 85.9
179 3 8 2 35.852 71.705 0.38 3.95 8 91.0 65.0
180 2 0 4 35.868 71.736 0.38 3.95 4 8.3 0.3
181 1 6 4 35.944 71.887 0.381 3.93 8 49.0 18.8
182 2 1 4 35.966 71.933 0.381 3.93 8 107.8 90.8
183 4 5 0 36.073 72.146 0.382 3.9 4 114.9 51.2
184 0 11 3 36.098 72.196 0.382 3.9 4 36.0 5.0
185 3 4 3 36.166 72.332 0.383 3.88 8 46.0 16.4
186 4 4 1 36.194 72.389 0.383 3.88 8 77.9 46.8
187 2 2 4 36.26 72.521 0.384 3.87 8 87.5 58.9
188 3 10 1 36.37 72.739 0.385 3.84 8 24.1 4.4
189 2 13 0 36.374 72.747 0.385 3.84 4 126.3 60.9
190 1 14 1 36.57 73.139 0.387 3.8 8 108.0 88.2
191 2 3 4 36.748 73.496 0.388 3.77 8 155.3 180.8
192 2 9 3 36.779 73.558 0.389 3.76 8 74.4 41.4
193 1 13 2 36.932 73.863 0.39 3.73 8 100.9 75.6
194 3 5 3 37.043 74.087 0.391 3.71 8 145.9 157.1
195 4 5 1 37.071 74.142 0.391 3.71 8 40.3 12.0
196 4 6 0 37.145 74.29 0.392 3.69 4 114.5 48.2
197 1 7 4 37.211 74.422 0.393 3.68 8 101.9 76.0
198 1 11 3 37.242 74.484 0.393 3.68 8 60.0 26.3
199 2 13 1 37.369 74.738 0.394 3.65 8 93.5 63.5
200 3 11 0 37.415 74.831 0.394 3.64 4 29.4 3.1
201 2 4 4 37.427 74.854 0.394 3.64 8 50.2 18.3
202 3 9 2 37.508 75.016 0.395 3.63 8 113.6 93.1
203 0 8 4 37.526 75.052 0.395 3.62 4 139.8 70.5
204 4 0 2 37.625 75.249 0.396 3.61 4 0.2 0.0
205 4 1 2 37.721 75.442 0.397 3.59 8 101.1 73.0
206 2 12 2 37.921 75.841 0.399 3.56 8 48.3 16.5
207 4 2 2 38.01 76.02 0.4 3.54 8 52.5 19.4
208 3 6 3 38.105 76.211 0.401 3.53 8 56.2 22.1
209 4 6 1 38.133 76.266 0.401 3.52 8 88.6 55.1
210 0 15 1 38.238 76.477 0.402 3.51 4 90.9 28.8
211 2 5 4 38.293 76.587 0.402 3.5 8 152.9 162.5
212 1 15 0 38.383 76.765 0.403 3.48 4 127.9 56.6
213 4 7 0 38.398 76.795 0.403 3.48 4 146.0 73.8
214 3 11 1 38.401 76.802 0.403 3.48 8 34.3 8.1
215 0 14 2 38.403 76.806 0.403 3.48 4 103.4 37.0
216 4 3 2 38.49 76.979 0.404 3.47 8 90.4 56.4
217 2 10 3 38.612 77.223 0.405 3.45 8 91.5 57.5
218 1 8 4 38.654 77.309 0.405 3.44 8 47.1 15.2
219 2 14 0 38.978 77.957 0.408 3.39 4 78.5 20.8
220 4 4 2 39.158 78.316 0.41 3.37 8 53.1 18.9
221 3 10 2 39.329 78.658 0.411 3.34 8 57.8 22.2
222 2 6 4 39.344 78.688 0.412 3.34 8 118.2 92.9
223 3 7 3 39.348 78.696 0.412 3.34 8 133.5 118.4
224 1 15 1 39.36 78.721 0.412 3.34 8 48.1 15.4
225 4 7 1 39.375 78.751 0.412 3.34 8 26.2 4.5
226 1 12 3 39.448 78.896 0.412 3.33 8 122.0 98.5
227 1 14 2 39.524 79.048 0.413 3.32 8 80.0 42.2
228 3 12 0 39.618 79.236 0.414 3.3 4 142.5 66.7
229 4 8 0 39.827 79.655 0.416 3.28 4 133.0 57.6
230 2 14 1 39.952 79.904 0.417 3.26 8 94.4 57.8
231 4 5 2 40.013 80.026 0.417 3.25 8 112.6 82.1
232 0 16 0 40.216 80.431 0.419 3.23 2 190.4 58.2
233 1 9 4 40.271 80.542 0.42 3.22 8 86.9 48.4
234 2 13 2 40.304 80.608 0.42 3.22 8 20.6 2.7
235 0 1 5 40.31 80.62 0.42 3.22 4 32.1 3.3
236 2 7 4 40.576 81.153 0.422 3.19 8 141.2 126.2
237 3 12 1 40.588 81.175 0.422 3.18 8 9.6 0.6
238 2 11 3 40.607 81.213 0.422 3.18 8 98.7 61.7
239 0 13 3 40.703 81.406 0.423 3.17 4 31.7 3.2
240 3 8 3 40.769 81.538 0.424 3.16 8 49.1 15.2
241 4 8 1 40.796 81.592 0.424 3.16 8 60.0 22.6
242 0 10 4 40.956 81.912 0.425 3.14 4 10.0 0.3
243 4 6 2 41.052 82.104 0.426 3.13 8 4.2 0.1
244 0 3 5 41.065 82.13 0.426 3.13 4 86.2 23.2
245 3 11 2 41.315 82.63 0.429 3.1 8 90.3 50.4
246 1 0 5 41.324 82.647 0.429 3.1 4 96.2 28.5
247 1 16 0 41.324 82.647 0.429 3.1 4 92.8 26.6
248 1 1 5 41.418 82.835 0.429 3.09 8 50.8 15.9
249 4 9 0 41.432 82.865 0.43 3.09 4 102.1 32.1
250 3 0 4 41.492 82.984 0.43 3.09 4 132.8 54.1
251 3 1 4 41.586 83.172 0.431 3.08 8 46.0 13.0
252 1 2 5 41.7 83.399 0.432 3.07 8 92.0 51.6
253 2 15 0 41.721 83.443 0.432 3.06 4 148.2 67.0
254 1 13 3 41.808 83.617 0.433 3.06 8 57.6 20.2
255 3 2 4 41.868 83.735 0.433 3.05 8 108.8 71.8
256 3 13 0 41.977 83.953 0.434 3.04 4 77.4 18.1
257 2 8 4 41.988 83.976 0.434 3.04 8 59.0 21.1
258 1 10 4 42.06 84.12 0.435 3.03 8 81.9 40.5
259 1 3 5 42.169 84.337 0.436 3.02 8 71.1 30.4
260 1 15 2 42.259 84.517 0.437 3.02 8 103.4 64.1
261 4 7 2 42.274 84.547 0.437 3.01 8 57.6 19.9
262 1 16 1 42.285 84.57 0.437 3.01 8 67.9 27.7
263 3 3 4 42.337 84.673 0.437 3.01 8 26.9 4.3
264 3 9 3 42.367 84.733 0.437 3.01 8 97.9 57.3
265 4 9 1 42.393 84.787 0.438 3.0 8 51.6 15.9
266 4 0 3 42.48 84.959 0.438 3.0 4 103.8 32.1
267 0 5 5 42.568 85.135 0.439 2.99 4 150.1 67.0
268 4 1 3 42.573 85.147 0.439 2.99 8 31.0 5.7
269 2 15 1 42.681 85.363 0.44 2.98 8 65.5 25.4
270 2 12 3 42.767 85.535 0.441 2.97 8 90.4 48.3
271 1 4 5 42.824 85.649 0.441 2.97 8 69.9 28.8
272 2 14 2 42.842 85.685 0.441 2.97 8 62.8 23.3
273 4 2 3 42.854 85.708 0.441 2.97 8 93.6 51.7
274 3 13 1 42.936 85.872 0.442 2.96 8 31.1 5.7
275 3 4 4 42.992 85.984 0.443 2.95 8 55.9 18.4
276 4 10 0 43.213 86.426 0.444 2.94 4 122.4 43.8
277 4 3 3 43.322 86.643 0.445 2.93 8 55.9 18.2
278 3 12 2 43.471 86.941 0.447 2.92 8 181.2 190.6
279 2 9 4 43.579 87.158 0.447 2.91 8 163.3 154.4
280 1 5 5 43.666 87.331 0.448 2.91 8 39.3 8.9
281 4 8 2 43.677 87.353 0.448 2.91 8 37.3 8.0
282 5 0 0 43.745 87.491 0.449 2.9 2 12.7 0.2
283 3 5 4 43.833 87.666 0.45 2.9 8 23.7 3.2
284 5 1 0 43.839 87.677 0.45 2.89 4 28.1 2.3
285 4 4 3 43.976 87.951 0.451 2.89 8 71.3 29.2
286 1 11 4 44.024 88.049 0.451 2.88 8 76.6 33.6
287 0 16 2 44.059 88.119 0.451 2.88 4 81.6 19.1
288 5 2 0 44.119 88.238 0.452 2.88 4 68.4 13.4
289 3 10 3 44.143 88.286 0.452 2.88 8 22.4 2.9
290 4 10 1 44.17 88.339 0.452 2.87 8 86.2 42.4
291 0 17 1 44.272 88.544 0.453 2.87 4 124.1 44.0
292 1 14 3 44.334 88.668 0.454 2.86 8 98.7 55.5
293 1 17 0 44.413 88.825 0.454 2.86 4 56.6 9.1
294 3 14 0 44.501 89.003 0.455 2.85 4 95.3 25.8
295 5 3 0 44.585 89.171 0.456 2.85 4 61.2 10.6
296 2 0 5 44.621 89.242 0.456 2.85 4 81.7 18.9
297 2 16 0 44.621 89.242 0.456 2.85 4 60.0 10.2
298 1 6 5 44.693 89.385 0.457 2.84 8 65.1 24.0
299 5 0 1 44.701 89.402 0.457 2.84 4 49.2 6.8
300 2 1 5 44.714 89.428 0.457 2.84 8 74.3 31.2
301 5 1 1 44.794 89.589 0.457 2.84 8 98.5 54.8
302 0 7 5 44.81 89.619 0.457 2.84 4 124.6 43.8
303 4 5 3 44.815 89.631 0.458 2.84 8 34.8 6.8
304 3 6 4 44.86 89.719 0.458 2.84 8 39.3 8.7
305 2 2 5 44.994 89.988 0.459 2.83 8 73.6 30.5
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 1 1 7.775 15.551 5.69347 493.8 13.4 13.4 5.6
2 1 0 0 7.949 15.898 5.57 136.1 3.7 3.7 5.6
3 1 1 0 8.283 16.566 5.347 1592.1 43.1 43.1 5.6
4 1 2 0 9.214 18.428 4.81066 1020.6 27.6 27.6 5.6
5 0 4 0 9.289 18.578 4.772 3697.5 100.0 100.0 5.6
6 0 3 1 10.195 20.391 4.35169 1710.4 46.3 46.2 5.6
7 1 3 0 10.591 21.182 4.19098 1471.8 39.8 39.7 5.6
8 1 0 1 10.907 21.813 4.07107 1733.3 46.9 46.8 5.6
9 1 1 1 11.155 22.31 3.98152 915.7 24.8 24.7 5.6
10 1 2 1 11.871 23.741 3.74463 2487.1 67.3 67.0 5.6
11 1 4 0 12.272 24.544 3.62391 713.9 19.3 19.2 5.6
12 1 3 1 12.981 25.962 3.4292 1382.2 37.4 37.2 5.6
13 0 5 1 13.86 27.721 3.21546 2181.9 59.0 58.6 5.6
14 0 6 0 14.012 28.024 3.18133 406.4 11.0 10.9 5.6
15 1 5 0 14.159 28.318 3.14897 695.0 18.8 18.7 5.6
16 1 4 1 14.401 28.802 3.09714 769.9 20.8 20.7 5.6
17 0 0 2 14.967 29.934 2.9825 716.5 19.4 19.2 5.6
18 0 2 2 15.699 31.398 2.84674 974.8 26.4 26.1 5.6
19 1 5 1 16.058 32.116 2.78475 199.7 5.4 5.3 5.6
20 1 6 0 16.191 32.381 2.7625 104.0 2.8 2.8 5.6
21 2 1 0 16.231 32.462 2.75582 452.8 12.2 12.1 5.6
22 2 2 0 16.745 33.49 2.6735 305.6 8.3 8.2 5.7
23 1 0 2 17.035 34.071 2.62929 364.0 9.8 9.7 5.7
24 1 1 2 17.201 34.402 2.6047 329.8 8.9 8.8 5.7
25 2 3 0 17.573 35.145 2.5513 740.9 20.0 19.8 5.7
26 1 2 2 17.69 35.381 2.53486 392.5 10.6 10.5 5.7
27 0 4 2 17.732 35.463 2.52915 142.7 3.9 3.8 5.7
28 2 0 1 17.773 35.545 2.5235 328.6 8.9 8.8 5.7
29 1 6 1 17.896 35.791 2.50673 376.2 10.2 10.0 5.7
30 2 1 1 17.933 35.865 2.50174 527.5 14.3 14.1 5.7
31 0 7 1 18.095 36.19 2.48001 650.0 17.6 17.3 5.7
32 1 7 0 18.331 36.663 2.44912 277.6 7.5 7.4 5.7
33 2 2 1 18.405 36.81 2.43966 521.5 14.1 13.9 5.7
34 1 3 2 18.481 36.962 2.42999 1340.5 36.3 35.7 5.7
35 2 4 0 18.677 37.355 2.40533 119.4 3.2 3.2 5.7
36 0 8 0 18.834 37.669 2.386 183.5 5.0 4.9 5.7
37 2 3 1 19.17 38.34 2.34575 340.2 9.2 9.1 5.7
38 1 4 2 19.541 39.083 2.30287 1172.3 31.7 31.2 5.7
39 1 7 1 19.876 39.753 2.26559 81.6 2.2 2.2 5.7
40 2 5 0 20.021 40.041 2.24993 731.5 19.8 19.4 5.7
41 2 4 1 20.2 40.4 2.23079 178.1 4.8 4.7 5.7
42 1 8 0 20.561 41.122 2.19324 63.7 1.7 1.7 5.7
43 0 6 2 20.733 41.466 2.17584 102.3 2.8 2.7 5.7
44 1 5 2 20.838 41.675 2.16541 699.8 18.9 18.6 5.7
45 2 5 1 21.463 42.926 2.10515 84.4 2.3 2.2 5.7
46 2 6 0 21.567 43.134 2.09549 356.6 9.6 9.4 5.7
47 1 8 1 21.974 43.949 2.05851 238.0 6.4 6.3 5.7
48 1 6 2 22.338 44.676 2.0267 103.3 2.8 2.7 5.7
49 2 1 2 22.369 44.737 2.02406 51.6 1.4 1.4 5.7
50 0 9 1 22.672 45.345 1.99833 247.4 6.7 6.5 5.7
51 2 2 2 22.763 45.527 1.99076 193.4 5.2 5.1 5.7
52 1 9 0 22.869 45.738 1.98206 166.6 4.5 4.4 5.7
53 2 6 1 22.93 45.861 1.97705 135.8 3.7 3.6 5.7
54 2 7 0 23.287 46.574 1.94841 401.5 10.9 10.6 5.7
55 2 3 2 23.41 46.82 1.93874 311.3 8.4 8.2 5.7
56 0 3 3 23.946 47.892 1.89782 170.4 4.6 4.5 5.7
57 1 7 2 24.014 48.029 1.89274 821.3 22.2 21.6 5.7
58 1 9 1 24.175 48.349 1.88094 125.3 3.4 3.3 5.7
59 1 0 3 24.289 48.578 1.8726 435.0 11.8 11.5 5.7
60 1 1 3 24.413 48.827 1.86365 173.9 4.7 4.6 5.7
61 3 0 0 24.511 49.023 1.85667 145.5 3.9 3.8 5.7
62 2 7 1 24.576 49.151 1.85211 74.0 2.0 1.9 5.7
63 1 2 3 24.783 49.566 1.83756 350.4 9.5 9.2 5.7
64 3 2 0 25.002 50.004 1.8225 187.6 5.1 4.9 5.7
65 2 8 0 25.158 50.315 1.81195 61.8 1.7 1.6 5.8
66 1 10 0 25.251 50.501 1.80571 142.4 3.9 3.7 5.8
67 2 5 2 25.394 50.789 1.79616 295.6 8.0 7.8 5.8
68 1 8 2 25.845 51.691 1.76692 754.8 20.4 19.8 5.8
69 0 5 3 25.9 51.799 1.76348 277.6 7.5 7.3 5.8
70 1 4 3 26.224 52.448 1.74319 141.2 3.8 3.7 5.8
71 2 8 1 26.378 52.756 1.73373 77.8 2.1 2.0 5.8
72 3 4 0 26.434 52.868 1.73031 46.2 1.2 1.2 5.8
73 1 10 1 26.468 52.936 1.72826 185.5 5.0 4.9 5.8
74 2 6 2 26.695 53.391 1.7146 202.8 5.5 5.3 5.8
75 3 3 1 26.811 53.623 1.70773 203.3 5.5 5.3 5.8
76 2 9 0 27.162 54.324 1.68732 353.9 9.6 9.2 5.8
77 1 11 0 27.706 55.412 1.65674 76.4 2.1 2.0 5.8
78 1 9 2 27.815 55.63 1.65078 438.0 11.8 11.4 5.8
79 2 7 2 28.179 56.357 1.63118 278.0 7.5 7.2 5.8
80 2 9 1 28.322 56.644 1.62361 93.9 2.5 2.4 5.8
81 2 0 3 28.424 56.849 1.61824 76.5 2.1 2.0 5.8
82 2 1 3 28.536 57.072 1.61245 191.6 5.2 5.0 5.8
83 3 5 1 28.625 57.249 1.60787 556.6 15.1 14.5 5.8
84 2 2 3 28.868 57.736 1.59546 219.5 5.9 5.7 5.8
85 0 12 0 28.963 57.927 1.59067 313.2 8.5 8.1 5.8
86 3 0 2 29.255 58.509 1.5762 503.1 13.6 13.1 5.8
87 2 10 0 29.29 58.58 1.57448 65.3 1.8 1.7 5.8
88 3 1 2 29.364 58.728 1.57086 382.1 10.3 9.9 5.8
89 2 3 3 29.416 58.833 1.56831 102.0 2.8 2.7 5.8
90 3 2 2 29.69 59.381 1.55514 57.0 1.5 1.5 5.8
91 2 8 2 29.829 59.658 1.54857 163.0 4.4 4.2 5.8
92 1 10 2 29.912 59.824 1.54467 137.1 3.7 3.6 5.8
93 2 4 3 30.174 60.348 1.53252 58.4 1.6 1.5 5.8
94 3 3 2 30.23 60.459 1.52996 353.1 9.6 9.2 5.8
95 2 10 1 30.397 60.793 1.52234 122.6 3.3 3.2 5.8
96 3 4 2 30.975 61.95 1.49667 190.3 5.1 4.9 5.8
97 0 0 4 31.1 62.2 1.49125 437.2 11.8 11.3 5.8
98 3 7 1 31.215 62.431 1.48629 224.8 6.1 5.8 5.8
99 1 12 1 31.326 62.651 1.48159 197.1 5.3 5.1 5.8
100 2 11 0 31.534 63.069 1.47278 165.2 4.5 4.3 5.9
101 2 9 2 31.635 63.27 1.46859 54.4 1.5 1.4 5.9
102 3 5 2 31.918 63.836 1.45691 134.9 3.6 3.5 5.9
103 0 9 3 32.074 64.149 1.45056 66.0 1.8 1.7 5.9
104 1 11 2 32.131 64.262 1.44829 103.5 2.8 2.7 5.9
105 1 1 4 32.428 64.857 1.43643 55.6 1.5 1.4 5.9
106 2 11 1 32.596 65.193 1.42984 127.1 3.4 3.3 5.9
107 0 4 4 32.763 65.526 1.42337 290.5 7.9 7.5 5.9
108 1 3 4 33.248 66.495 1.40496 97.1 2.6 2.5 5.9
109 0 12 2 33.286 66.572 1.40353 183.9 5.0 4.7 5.9
110 2 10 2 33.588 67.175 1.39237 116.9 3.2 3.0 5.9
111 1 13 1 33.896 67.791 1.38122 38.0 1.0 1.0 5.9
112 1 4 4 33.956 67.912 1.37905 55.4 1.5 1.4 5.9
113 4 2 0 33.988 67.976 1.37791 55.3 1.5 1.4 5.9
114 3 7 2 34.365 68.73 1.36463 71.4 1.9 1.8 5.9
115 1 12 2 34.47 68.94 1.36099 333.8 9.0 8.5 5.9
116 4 0 1 34.613 69.227 1.35604 76.8 2.1 2.0 5.9
117 0 6 4 34.783 69.565 1.35027 42.3 1.1 1.1 5.9
118 1 5 4 34.857 69.713 1.34776 91.9 2.5 2.3 5.9
119 2 12 1 34.92 69.839 1.34564 92.7 2.5 2.4 5.9
120 4 2 1 35.012 70.023 1.34256 122.9 3.3 3.1 5.9
121 4 4 0 35.186 70.372 1.33675 146.9 4.0 3.7 5.9
122 3 10 0 35.363 70.727 1.33091 46.4 1.3 1.2 5.9
123 3 3 3 35.478 70.956 1.32717 107.5 2.9 2.7 5.9
124 2 11 2 35.683 71.366 1.32055 85.9 2.3 2.2 5.9
125 3 8 2 35.852 71.705 1.31515 65.3 1.8 1.7 5.9
126 2 1 4 35.966 71.933 1.31154 109.6 3.0 2.8 5.9
127 4 5 0 36.073 72.146 1.30819 56.3 1.5 1.4 5.9
128 4 4 1 36.194 72.389 1.3044 63.2 1.7 1.6 5.9
129 2 2 4 36.26 72.521 1.30235 58.9 1.6 1.5 5.9
130 2 13 0 36.374 72.747 1.29885 65.4 1.8 1.7 6.0
131 1 14 1 36.57 73.139 1.29285 88.2 2.4 2.2 6.0
132 2 3 4 36.748 73.496 1.28745 180.8 4.9 4.6 6.0
133 2 9 3 36.779 73.558 1.28652 41.4 1.1 1.0 6.0
134 1 13 2 36.932 73.863 1.28196 75.6 2.0 1.9 6.0
135 3 5 3 37.043 74.087 1.27864 169.1 4.6 4.3 6.0
136 4 6 0 37.145 74.29 1.27565 48.2 1.3 1.2 6.0
137 1 7 4 37.211 74.422 1.27371 76.0 2.1 1.9 6.0
138 2 13 1 37.369 74.738 1.26911 63.5 1.7 1.6 6.0
139 3 9 2 37.508 75.016 1.26509 163.6 4.4 4.1 6.0
140 4 1 2 37.721 75.442 1.259 73.0 2.0 1.8 6.0
141 4 6 1 38.133 76.266 1.24744 77.2 2.1 1.9 6.0
142 2 5 4 38.293 76.587 1.24301 162.5 4.4 4.1 6.0
143 4 7 0 38.398 76.795 1.24016 175.5 4.7 4.4 6.0
144 4 3 2 38.49 76.979 1.23765 56.4 1.5 1.4 6.0
145 2 10 3 38.612 77.223 1.23435 57.5 1.6 1.4 6.0
146 3 7 3 39.348 78.696 1.2149 253.4 6.9 6.4 6.0
147 1 12 3 39.448 78.896 1.21232 98.5 2.7 2.5 6.0
148 1 14 2 39.524 79.048 1.21037 42.2 1.1 1.1 6.0
149 3 12 0 39.618 79.236 1.20797 66.7 1.8 1.7 6.0
150 4 8 0 39.827 79.655 1.20267 57.6 1.6 1.4 6.0
151 2 14 1 39.952 79.904 1.19954 57.8 1.6 1.4 6.0
152 4 5 2 40.013 80.026 1.19801 82.1 2.2 2.1 6.0
153 0 16 0 40.216 80.431 1.193 58.2 1.6 1.5 6.0
154 1 9 4 40.271 80.542 1.19164 48.4 1.3 1.2 6.1
155 2 7 4 40.576 81.153 1.18421 188.5 5.1 4.7 6.1
156 4 8 1 40.796 81.592 1.17894 37.8 1.0 0.9 6.1
157 3 11 2 41.315 82.63 1.16674 105.5 2.9 2.6 6.1
158 4 9 0 41.432 82.865 1.16403 47.9 1.3 1.2 6.1
159 3 0 4 41.492 82.984 1.16266 54.1 1.5 1.3 6.1
160 2 15 0 41.721 83.443 1.15743 118.6 3.2 2.9 6.1
161 3 2 4 41.868 83.735 1.15413 71.8 1.9 1.8 6.1
162 2 8 4 41.988 83.976 1.15144 39.2 1.1 1.0 6.1
163 1 10 4 42.06 84.12 1.14983 40.5 1.1 1.0 6.1
164 1 15 2 42.259 84.517 1.14543 111.7 3.0 2.8 6.1
165 3 9 3 42.367 84.733 1.14307 77.6 2.1 1.9 6.1
166 0 5 5 42.568 85.135 1.13869 72.7 2.0 1.8 6.1
167 2 12 3 42.767 85.535 1.13439 48.3 1.3 1.2 6.1
168 4 2 3 42.854 85.708 1.13254 103.8 2.8 2.6 6.1
169 4 10 0 43.213 86.426 1.12496 43.8 1.2 1.1 6.1
170 3 12 2 43.471 86.941 1.11962 190.6 5.2 4.7 6.1
171 2 9 4 43.579 87.158 1.11739 154.4 4.2 3.8 6.2
172 4 10 1 44.17 88.339 1.10548 42.4 1.1 1.0 6.2
173 0 17 1 44.272 88.544 1.10344 44.0 1.2 1.1 6.2
174 1 14 3 44.334 88.668 1.10222 55.5 1.5 1.4 6.2
175 2 1 5 44.714 89.428 1.09482 62.0 1.7 1.5 6.2
176 5 1 1 44.794 89.589 1.09327 105.4 2.9 2.6 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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