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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TORBERNITE
1, syn, f-torbernite, g-torbenite
Cu[UO(2)](2)[PO(4)](2).12H(2)O
Tetragonal * P4/nnc Z = 2
R =0.024 NR =764
26 .5 .1904
Ref.Str.:
A.I. Locock, P.C. Burus (2003)
* Canad. Mineral., 41, 513-520
Reserv:
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.0267 alpha = 90.0
b = 7.0267 beta = 90.0
c = 20.807 gamma = 90.0
Unit cell volume (cub. angs.) = 1027.34
Molar volume ( cub.cm/mol.) = 309.4
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.25 0.25 0.4584 0.0 U = 1.00
2 0.25 0.75 0.5 0.0 P = 1.00
3 0.25 0.25 0.25 0.0 Cu = 1.00
4 0.25 0.25 0.3728 0.0 O = 1.00
5 0.25 0.25 0.5429 0.0 O = 1.00
6 0.25 0.9778 0.25 0.0 O = 1.00
7 0.2194 0.9238 0.4565 0.0 O = 1.00
8 0.0205 0.8333 0.3391 0.0 O = 1.00
9 0.933 0.897 0.313 0.0 H = 1.00
10 0.054 0.857 0.381 0.0 H = 1.00
11 0.185 0.893 0.278 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.25 0.4584
2 2 0.25 0.75 0.5
3 3 0.25 0.25 0.25
4 4 0.25 0.25 0.3728
5 5 0.25 0.25 0.5429
6 6 0.25 0.9778 0.25
7 7 0.2194 0.9238 0.4565
8 8 0.0205 0.8333 0.3391
9 9 0.933 0.897 0.313
10 10 0.054 0.857 0.381
11 11 0.185 0.893 0.278
12 2 0.75 0.25 0.5
13 6 0.5222 0.25 0.25
14 6 0.25 0.5222 0.25
15 6 0.9778 0.25 0.25
16 7 0.5762 0.2194 0.4565
17 7 0.2806 0.5762 0.4565
18 7 0.9238 0.2806 0.4565
19 8 0.6667 0.0205 0.3391
20 8 0.4795 0.6667 0.3391
21 8 0.8333 0.4795 0.3391
22 9 0.603 0.933 0.313
23 9 0.567 0.603 0.313
24 9 0.897 0.567 0.313
25 10 0.643 0.054 0.381
26 10 0.446 0.643 0.381
27 10 0.857 0.446 0.381
28 11 0.607 0.185 0.278
29 11 0.315 0.607 0.278
30 11 0.893 0.315 0.278
31 1 0.75 0.75 0.9584
32 2 0.75 0.25 0.0
33 3 0.75 0.75 0.75
34 4 0.75 0.75 0.8728
35 5 0.75 0.75 0.0429
36 6 0.75 0.4778 0.75
37 7 0.7806 0.4238 0.9565
38 8 0.9795 0.3333 0.8391
39 9 0.067 0.397 0.813
40 10 0.946 0.357 0.881
41 11 0.815 0.393 0.778
42 2 0.25 0.75 0.0
43 6 0.4778 0.75 0.75
44 6 0.75 0.0222 0.75
45 6 0.0222 0.75 0.75
46 7 0.4238 0.7194 0.9565
47 7 0.7194 0.0762 0.9565
48 7 0.0762 0.7806 0.9565
49 8 0.3333 0.5205 0.8391
50 8 0.5205 0.1667 0.8391
51 8 0.1667 0.9795 0.8391
52 9 0.397 0.433 0.813
53 9 0.433 0.103 0.813
54 9 0.103 0.067 0.813
55 10 0.357 0.554 0.881
56 10 0.554 0.143 0.881
57 10 0.143 0.946 0.881
58 11 0.393 0.685 0.778
59 11 0.685 0.107 0.778
60 11 0.107 0.815 0.778
61 1 0.75 0.75 0.5416
62 4 0.75 0.75 0.6272
63 5 0.75 0.75 0.4571
64 7 0.7194 0.4238 0.5435
65 8 0.5205 0.3333 0.6609
66 9 0.433 0.397 0.687
67 10 0.554 0.357 0.619
68 11 0.685 0.393 0.722
69 7 0.0762 0.7194 0.5435
70 7 0.7806 0.0762 0.5435
71 7 0.4238 0.7806 0.5435
72 8 0.1667 0.5205 0.6609
73 8 0.9795 0.1667 0.6609
74 8 0.3333 0.9795 0.6609
75 9 0.103 0.433 0.687
76 9 0.067 0.103 0.687
77 9 0.397 0.067 0.687
78 10 0.143 0.554 0.619
79 10 0.946 0.143 0.619
80 10 0.357 0.946 0.619
81 11 0.107 0.685 0.722
82 11 0.815 0.107 0.722
83 11 0.393 0.815 0.722
84 1 0.25 0.25 0.0416
85 4 0.25 0.25 0.1272
86 5 0.25 0.25 0.9571
87 7 0.2806 0.9238 0.0435
88 8 0.4795 0.8333 0.1609
89 9 0.567 0.897 0.187
90 10 0.446 0.857 0.119
91 11 0.315 0.893 0.222
92 7 0.9238 0.2194 0.0435
93 7 0.2194 0.5762 0.0435
94 7 0.5762 0.2806 0.0435
95 8 0.8333 0.0205 0.1609
96 8 0.0205 0.6667 0.1609
97 8 0.6667 0.4795 0.1609
98 9 0.897 0.933 0.187
99 9 0.933 0.603 0.187
100 9 0.603 0.567 0.187
101 10 0.857 0.054 0.119
102 10 0.054 0.643 0.119
103 10 0.643 0.446 0.119
104 11 0.893 0.185 0.222
105 11 0.185 0.607 0.222
106 11 0.607 0.315 0.222
X-ray density (g/cm cub.) = 3.26
MU (1/cm) = 581.539 Mass attenuation coefficient (cm**2/g) = 178.218
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 U 2.88 6
1.7811 4
1.7582 5
2.3025 7
2.3025 7
2.3025 7
2.3025 7
2 P 2.232 4
1.5352 7
1.5352 7
1.5352 7
1.5352 7
3 Cu 2.808 6
2.5551 4
1.9127 6
1.9127 6
1.9127 6
1.9127 6
2.5551 4
4 O 3.264 8
3.1917 6
2.8867 7
3.1917 6
3.1917 6
3.1917 6
2.8867 7
2.8867 7
2.8867 7
5 O 3.264 8
2.9209 7
2.9209 7
2.9209 7
2.9209 7
3.1597 8
3.1597 8
3.1597 8
3.1597 8
6 O 3.264 7
3.1917 4
2.6587 8
2.7049 6
3.2014 6
2.7049 6
3.1917 4
2.6587 8
7 O 3.264 8
2.8867 4
2.9209 5
2.8853 8
3.2558 7
2.48 7
3.2558 7
2.5204 7
2.5204 7
8 O 3.264 5
2.6587 6
2.8853 7
2.8126 8
2.8126 8
3.1597 5
9 H 1.632 1
0.9345 8
10 H 1.632 1
0.9183 8
11 H 1.632 1
0.9503 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 0 0 2 4.246 8.492 0.048 361.85 2 292.4 5863.6
2 1 0 1 6.644 13.288 0.075 146.43 8 141.6 2226.4
3 0 0 4 8.516 17.031 0.096 88.27 2 289.7 1404.0
4 1 1 0 8.918 17.837 0.101 80.28 4 297.3 2688.9
5 1 0 3 8.978 17.955 0.101 79.2 8 166.4 1662.9
6 1 1 2 9.893 19.785 0.112 64.84 8 171.1 1439.3
7 1 1 4 12.38 24.759 0.139 40.64 8 116.9 420.9
8 1 0 5 12.423 24.846 0.14 40.35 8 393.9 4746.1
9 2 0 0 12.665 25.329 0.142 38.74 4 447.9 2945.6
10 0 0 6 12.834 25.667 0.144 37.68 2 44.1 13.9
11 2 0 2 13.38 26.76 0.15 34.5 8 311.1 2530.1
12 2 1 1 14.353 28.707 0.161 29.72 16 136.7 842.0
13 2 1 2 14.836 29.673 0.166 27.69 16 66.8 187.6
14 2 0 4 15.341 30.682 0.172 25.77 8 257.3 1293.3
15 2 1 3 15.611 31.222 0.175 24.82 16 161.1 976.4
16 1 1 6 15.716 31.432 0.176 24.47 8 86.5 138.8
17 1 0 7 16.342 32.684 0.183 22.49 8 172.9 509.6
18 2 1 4 16.641 33.283 0.186 21.62 16 19.5 12.4
19 0 0 8 17.227 34.454 0.192 20.05 2 71.3 19.3
20 2 1 5 17.888 35.776 0.199 18.47 16 172.6 834.3
21 2 2 0 18.063 36.125 0.201 18.08 4 284.3 553.8
22 2 0 6 18.186 36.372 0.203 17.81 8 28.7 11.1
23 2 2 2 18.589 37.178 0.207 16.97 8 281.8 1021.9
24 2 1 6 19.317 38.634 0.215 15.59 16 10.9 2.8
25 3 0 1 19.326 38.652 0.215 15.58 8 178.0 374.1
26 1 1 8 19.529 39.058 0.217 15.22 8 111.7 143.9
27 2 2 4 20.097 40.193 0.223 14.28 8 179.4 348.6
28 3 1 0 20.283 40.566 0.225 13.99 8 371.6 1464.2
29 3 0 3 20.311 40.622 0.225 13.95 8 166.7 293.7
30 3 1 1 20.403 40.807 0.226 13.81 16 15.7 5.2
31 1 0 9 20.533 41.067 0.228 13.61 8 269.8 751.4
32 3 1 2 20.761 41.522 0.23 13.28 16 181.6 664.3
33 2 1 7 20.898 41.796 0.232 13.09 16 200.2 795.4
34 3 1 3 21.347 42.693 0.236 12.48 16 76.5 110.7
35 2 0 8 21.622 43.244 0.239 12.13 8 44.2 18.0
36 0 0 10 21.728 43.456 0.24 11.99 2 429.0 418.3
37 3 1 4 22.145 44.291 0.245 11.49 16 138.3 333.3
38 3 0 5 22.171 44.343 0.245 11.46 8 386.2 1295.8
39 2 2 6 22.421 44.842 0.248 11.17 8 1.0 0.0
40 2 1 8 22.609 45.218 0.25 10.97 16 48.2 38.6
41 3 1 5 23.14 46.28 0.255 10.41 16 11.7 2.2
42 3 2 1 23.389 46.779 0.258 10.16 16 107.3 177.4
43 1 1 10 23.663 47.325 0.261 9.89 8 288.7 624.9
44 3 2 2 23.711 47.422 0.261 9.85 16 10.5 1.6
45 3 2 3 24.24 48.479 0.266 9.37 16 161.8 371.7
46 3 1 6 24.312 48.625 0.267 9.3 16 78.0 85.9
47 2 1 9 24.433 48.867 0.268 9.2 16 200.0 558.0
48 3 0 7 24.752 49.505 0.272 8.93 8 214.4 311.0
49 1 0 11 24.943 49.886 0.274 8.78 8 44.6 13.2
50 3 2 4 24.966 49.931 0.274 8.76 16 27.4 10.0
51 2 2 8 25.39 50.78 0.278 8.43 8 48.4 15.0
52 2 0 10 25.484 50.967 0.279 8.36 8 250.9 398.7
53 3 1 7 25.646 51.292 0.281 8.24 16 44.6 24.9
54 3 2 5 25.877 51.754 0.283 8.07 16 276.6 936.4
55 4 0 0 26.007 52.015 0.285 7.98 4 423.0 541.1
56 2 1 10 26.359 52.719 0.288 7.74 16 9.2 1.0
57 0 0 12 26.375 52.75 0.288 7.73 2 191.7 53.8
58 4 0 2 26.404 52.808 0.289 7.71 8 209.0 255.2
59 3 2 6 26.961 53.922 0.294 7.35 16 19.0 4.0
60 4 1 1 26.968 53.936 0.294 7.35 16 96.3 103.3
61 3 1 8 27.125 54.251 0.296 7.25 16 117.5 151.6
62 4 1 2 27.259 54.517 0.297 7.17 16 26.7 7.7
63 4 0 4 27.569 55.138 0.3 6.99 8 224.4 266.7
64 3 3 0 27.716 55.432 0.302 6.9 4 364.4 347.5
65 4 1 3 27.738 55.476 0.302 6.89 16 105.9 117.2
66 3 0 9 27.914 55.828 0.304 6.79 8 274.6 388.4
67 1 1 12 28.068 56.136 0.305 6.71 8 256.9 335.7
68 3 3 2 28.096 56.191 0.306 6.69 8 182.8 169.5
69 3 2 7 28.205 56.41 0.307 6.63 16 192.3 371.9
70 2 1 11 28.379 56.758 0.309 6.54 16 17.4 3.0
71 4 1 4 28.4 56.8 0.309 6.53 16 4.8 0.2
72 3 1 9 28.738 57.477 0.312 6.36 16 30.7 9.1
73 2 2 10 28.875 57.749 0.313 6.29 8 152.5 110.9
74 3 3 4 29.215 58.43 0.317 6.13 8 161.9 121.8
75 4 1 5 29.237 58.473 0.317 6.12 16 267.4 662.9
76 4 2 0 29.357 58.713 0.318 6.06 8 360.7 597.7
77 4 0 6 29.442 58.883 0.319 6.02 8 23.5 2.5
78 4 2 1 29.448 58.897 0.319 6.02 16 15.9 2.3
79 1 0 13 29.577 59.154 0.32 5.96 8 35.8 5.8
80 3 2 8 29.597 59.194 0.321 5.95 16 9.4 0.8
81 2 0 12 29.696 59.392 0.322 5.91 8 224.8 226.2
82 4 2 2 29.723 59.445 0.322 5.89 16 191.0 326.1
83 4 2 3 30.177 60.353 0.326 5.7 16 37.9 12.4
84 4 1 6 30.239 60.479 0.327 5.67 16 11.4 1.1
85 3 1 10 30.475 60.951 0.329 5.57 16 329.9 919.8
86 2 1 12 30.49 60.979 0.329 5.57 16 14.5 1.8
87 4 2 4 30.805 61.61 0.332 5.44 16 157.2 203.8
88 3 3 6 31.025 62.049 0.335 5.36 8 85.9 30.0
89 3 2 9 31.127 62.255 0.336 5.32 16 213.5 367.5
90 0 0 14 31.217 62.434 0.336 5.29 2 303.9 92.5
91 4 1 7 31.399 62.799 0.338 5.22 16 126.9 127.4
92 3 0 11 31.563 63.126 0.34 5.16 8 28.9 3.3
93 4 2 5 31.603 63.205 0.34 5.14 16 4.4 0.2
94 4 0 8 31.947 63.894 0.343 5.02 8 21.6 1.8
95 3 1 11 32.33 64.659 0.347 4.9 16 20.9 3.2
96 4 2 6 32.562 65.125 0.349 4.82 16 24.8 4.5
97 2 1 13 32.69 65.38 0.351 4.78 16 17.4 2.2
98 4 1 8 32.709 65.418 0.351 4.77 16 25.9 4.9
99 1 1 14 32.75 65.5 0.351 4.76 8 266.1 255.5
100 3 2 10 32.789 65.578 0.352 4.75 16 17.5 2.2
101 2 2 12 32.802 65.605 0.352 4.75 8 214.4 165.3
102 4 3 1 33.323 66.646 0.357 4.59 16 130.1 117.8
103 5 0 1 33.323 66.646 0.357 4.59 8 145.6 73.8
104 3 3 8 33.462 66.923 0.358 4.55 8 125.2 54.1
105 4 3 2 33.579 67.158 0.359 4.52 16 42.2 12.2
106 4 2 7 33.678 67.355 0.36 4.49 16 24.8 4.2
107 5 1 0 33.984 67.968 0.363 4.4 8 221.4 163.6
108 4 3 3 34.004 68.008 0.363 4.4 16 120.9 97.5
109 5 0 3 34.004 68.008 0.363 4.4 8 127.5 54.2
110 5 1 1 34.069 68.138 0.364 4.38 16 22.2 3.3
111 4 1 9 34.161 68.321 0.364 4.36 16 196.6 255.4
112 2 0 14 34.246 68.492 0.365 4.33 8 222.6 162.7
113 3 1 12 34.298 68.595 0.366 4.32 16 260.9 445.9
114 5 1 2 34.322 68.644 0.366 4.31 16 135.0 119.2
115 1 0 15 34.473 68.946 0.367 4.27 8 229.4 170.5
116 3 2 11 34.576 69.151 0.368 4.25 16 41.6 11.2
117 4 3 4 34.594 69.188 0.369 4.24 16 11.6 0.9
118 5 1 3 34.743 69.485 0.37 4.21 16 16.4 1.7
119 4 2 8 34.943 69.885 0.372 4.16 16 35.0 7.7
120 2 1 14 34.982 69.965 0.372 4.15 16 16.7 1.7
121 4 0 10 35.02 70.04 0.373 4.14 8 263.0 217.0
122 5 1 4 35.327 70.655 0.375 4.07 16 101.1 63.0
123 4 3 5 35.347 70.693 0.376 4.06 16 260.6 418.2
124 5 0 5 35.347 70.693 0.376 4.06 8 202.4 126.1
125 3 0 13 35.654 71.309 0.378 3.99 8 32.7 3.2
126 4 1 10 35.749 71.499 0.379 3.97 16 5.2 0.2
127 5 1 5 36.073 72.146 0.382 3.9 16 5.6 0.2
128 4 3 6 36.257 72.514 0.384 3.87 16 6.0 0.2
129 5 2 1 36.263 72.526 0.384 3.86 16 63.6 23.7
130 0 0 16 36.322 72.644 0.384 3.85 2 73.0 3.9
131 4 2 9 36.352 72.704 0.385 3.85 16 2.7 0.0
132 3 1 13 36.378 72.757 0.385 3.84 16 39.7 9.2
133 3 3 10 36.472 72.945 0.386 3.82 8 327.3 310.3
134 3 2 12 36.485 72.971 0.386 3.82 16 1.9 0.0
135 5 2 2 36.51 73.019 0.386 3.81 16 24.0 3.3
136 5 2 3 36.919 73.838 0.39 3.74 16 122.8 85.3
137 5 1 6 36.976 73.952 0.39 3.72 16 66.1 24.7
138 2 2 14 37.153 74.306 0.392 3.69 8 165.3 76.5
139 4 3 7 37.321 74.642 0.394 3.66 16 157.6 137.8
140 5 0 7 37.321 74.642 0.394 3.66 8 177.5 87.5
141 2 1 15 37.373 74.746 0.394 3.65 16 149.9 124.5
142 4 1 11 37.472 74.944 0.395 3.63 16 36.1 7.2
143 5 2 4 37.49 74.98 0.395 3.63 16 7.8 0.3
144 1 1 16 37.754 75.508 0.397 3.59 8 90.9 22.5
145 4 2 10 37.903 75.805 0.399 3.56 16 211.1 240.4
146 5 1 7 38.033 76.066 0.4 3.54 16 10.5 0.6
147 5 2 5 38.219 76.438 0.402 3.51 16 202.3 217.6
148 4 4 0 38.325 76.649 0.403 3.49 4 303.6 122.0
149 3 2 13 38.518 77.036 0.404 3.46 16 40.2 8.5
150 4 3 8 38.536 77.072 0.404 3.46 16 42.0 9.2
151 3 1 14 38.574 77.148 0.405 3.45 16 282.3 417.1
152 4 0 12 38.623 77.247 0.405 3.45 8 156.8 64.2
153 4 4 2 38.647 77.294 0.405 3.44 8 176.7 81.4
154 5 2 6 39.105 78.209 0.409 3.37 16 6.0 0.2
155 2 0 16 39.168 78.336 0.41 3.37 8 33.2 2.8
156 5 1 8 39.24 78.481 0.411 3.36 16 95.5 46.4
157 4 1 12 39.327 78.655 0.411 3.34 16 8.0 0.3
158 4 2 11 39.592 79.184 0.414 3.31 16 23.7 2.8
159 4 4 4 39.609 79.219 0.414 3.31 8 199.4 99.6
160 1 0 17 39.704 79.408 0.415 3.29 8 142.0 50.3
161 5 3 0 39.732 79.464 0.415 3.29 8 236.6 139.6
162 5 3 1 39.812 79.624 0.416 3.28 16 22.1 2.4
163 2 1 16 39.869 79.739 0.416 3.27 16 22.6 2.5
164 4 3 9 39.899 79.797 0.416 3.27 16 217.7 234.7
165 5 0 9 39.899 79.797 0.416 3.27 8 209.3 108.5
166 3 3 12 40.028 80.056 0.417 3.25 8 266.8 175.4
167 5 3 2 40.051 80.103 0.418 3.25 16 141.0 97.9
168 5 2 7 40.144 80.287 0.418 3.24 16 148.0 107.5
169 3 0 15 40.194 80.388 0.419 3.23 8 243.2 144.8
170 5 3 3 40.449 80.899 0.421 3.2 16 24.5 2.9
171 5 1 9 40.597 81.194 0.422 3.18 16 12.1 0.7
172 3 2 14 40.677 81.354 0.423 3.17 16 16.9 1.4
173 3 1 15 40.891 81.782 0.425 3.15 16 20.8 2.1
174 5 3 4 41.005 82.011 0.426 3.14 16 110.0 57.6
175 6 0 0 41.127 82.254 0.427 3.12 4 303.5 109.1
176 4 4 6 41.201 82.401 0.428 3.12 8 41.2 4.0
177 4 1 13 41.317 82.635 0.429 3.1 16 20.4 2.0
178 5 2 8 41.335 82.669 0.429 3.1 16 25.3 3.0
179 4 3 10 41.408 82.816 0.429 3.1 16 11.3 0.6
180 4 2 12 41.421 82.841 0.429 3.09 16 140.8 93.0
181 6 0 2 41.444 82.888 0.43 3.09 8 231.3 125.4
182 5 3 5 41.718 83.435 0.432 3.06 16 11.8 0.6
183 0 0 18 41.787 83.574 0.433 3.06 2 17.4 0.2
184 6 1 1 41.9 83.8 0.433 3.05 16 100.4 46.6
185 2 2 16 41.957 83.913 0.434 3.04 8 31.6 2.3
186 5 1 10 42.101 84.202 0.435 3.03 16 227.7 238.1
187 6 1 2 42.137 84.273 0.435 3.03 16 15.9 1.2
188 6 0 4 42.392 84.783 0.438 3.0 8 207.8 98.3
189 2 1 17 42.485 84.97 0.438 3.0 16 161.1 117.9
190 6 1 3 42.531 85.062 0.439 2.99 16 137.9 86.2
191 5 3 6 42.586 85.172 0.439 2.99 16 68.3 21.1
192 5 2 9 42.677 85.354 0.44 2.98 16 153.0 105.7
193 4 0 14 42.757 85.514 0.441 2.97 8 223.9 113.0
194 3 2 15 42.969 85.938 0.442 2.96 16 183.8 151.3
195 4 3 11 43.065 86.13 0.443 2.95 16 10.5 0.5
196 5 0 11 43.065 86.13 0.443 2.95 8 7.6 0.1
197 6 1 4 43.082 86.165 0.443 2.95 16 11.8 0.6
198 1 1 18 43.17 86.339 0.444 2.94 8 73.7 12.1
199 3 1 16 43.338 86.677 0.445 2.93 16 105.9 49.8
200 4 2 13 43.392 86.784 0.446 2.93 16 28.2 3.5
201 4 4 8 43.409 86.819 0.446 2.92 8 9.1 0.2
202 4 1 14 43.447 86.894 0.446 2.92 16 7.7 0.3
203 5 3 7 43.609 87.218 0.448 2.91 16 15.7 1.1
204 5 1 11 43.755 87.509 0.449 2.9 16 19.4 1.7
205 6 1 5 43.79 87.58 0.449 2.9 16 219.1 210.9
206 6 2 0 43.893 87.785 0.45 2.89 8 307.4 207.0
207 6 0 6 43.965 87.931 0.451 2.89 8 43.3 4.1
208 6 2 1 43.971 87.942 0.451 2.89 16 21.1 1.9
209 3 3 14 44.136 88.272 0.452 2.88 8 290.5 183.9
210 5 2 10 44.171 88.343 0.452 2.87 16 8.0 0.3
211 6 2 2 44.207 88.414 0.453 2.87 16 211.8 195.2
212 2 0 18 44.548 89.096 0.455 2.85 8 12.7 0.4
213 6 2 3 44.6 89.199 0.456 2.85 16 3.8 0.1
214 6 1 6 44.654 89.308 0.456 2.85 16 16.1 1.1
215 5 4 1 44.66 89.32 0.456 2.85 16 99.7 42.9
216 5 3 8 44.787 89.575 0.457 2.84 16 96.5 40.1
217 4 3 12 44.873 89.745 0.458 2.83 16 13.3 0.8
218 5 4 2 44.896 89.791 0.458 2.83 16 6.4 0.2
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 0 2 4.246 8.492 10.4035 5863.6 100.0 100.0 5.6
2 1 0 1 6.644 13.288 6.65732 2226.4 38.0 37.9 5.6
3 0 0 4 8.516 17.031 5.20175 1404.0 23.9 23.8 5.6
4 1 1 0 8.918 17.837 4.96863 2688.9 45.9 45.6 5.6
5 1 0 3 8.978 17.955 4.93613 1662.9 28.4 28.2 5.6
6 1 1 2 9.893 19.785 4.48354 1439.3 24.5 24.4 5.6
7 1 1 4 12.38 24.759 3.59294 420.9 7.2 7.1 5.6
8 1 0 5 12.423 24.846 3.58059 4746.1 80.9 80.1 5.6
9 2 0 0 12.665 25.329 3.51335 2945.6 50.2 49.7 5.6
10 2 0 2 13.38 26.76 3.32866 2530.1 43.1 42.6 5.6
11 2 1 1 14.353 28.707 3.1072 842.0 14.4 14.2 5.6
12 2 1 2 14.836 29.673 3.0082 187.6 3.2 3.2 5.6
13 2 0 4 15.341 30.682 2.91147 1293.3 22.1 21.7 5.6
14 2 1 3 15.611 31.222 2.86234 976.4 16.7 16.4 5.6
15 1 1 6 15.716 31.432 2.8437 138.8 2.4 2.3 5.6
16 1 0 7 16.342 32.684 2.73757 509.6 8.7 8.5 5.6
17 2 1 5 17.888 35.776 2.50775 834.3 14.2 14.0 5.7
18 2 2 0 18.063 36.125 2.48431 553.8 9.4 9.3 5.7
19 2 2 2 18.589 37.178 2.41637 1021.9 17.4 17.1 5.7
20 3 0 1 19.326 38.652 2.32753 376.9 6.4 6.3 5.7
21 1 1 8 19.529 39.058 2.30427 143.9 2.5 2.4 5.7
22 2 2 4 20.097 40.193 2.24177 348.6 5.9 5.8 5.7
23 3 1 0 20.283 40.566 2.22204 1758.0 30.0 29.3 5.7
24 1 0 9 20.533 41.067 2.19608 751.4 12.8 12.5 5.7
25 3 1 2 20.761 41.522 2.17302 664.3 11.3 11.0 5.7
26 2 1 7 20.898 41.796 2.15943 795.4 13.6 13.2 5.7
27 3 1 3 21.347 42.693 2.11609 110.7 1.9 1.8 5.7
28 0 0 10 21.728 43.456 2.0807 418.3 7.1 6.9 5.7
29 3 0 5 22.171 44.343 2.04113 1629.1 27.8 27.0 5.7
30 3 2 1 23.389 46.779 1.94036 177.4 3.0 2.9 5.7
31 1 1 10 23.663 47.325 1.91921 624.9 10.7 10.3 5.7
32 3 2 3 24.24 48.479 1.87619 371.7 6.3 6.1 5.7
33 3 1 6 24.312 48.625 1.87092 85.9 1.5 1.4 5.7
34 2 1 9 24.433 48.867 1.86222 558.0 9.5 9.2 5.7
35 3 0 7 24.752 49.505 1.83971 311.0 5.3 5.1 5.7
36 2 0 10 25.484 50.967 1.7903 398.7 6.8 6.6 5.8
37 3 2 5 25.877 51.754 1.7649 936.4 16.0 15.4 5.8
38 4 0 0 26.007 52.015 1.75668 541.1 9.2 8.9 5.8
39 4 0 2 26.404 52.808 1.73216 255.2 4.4 4.2 5.8
40 4 1 1 26.968 53.936 1.69854 107.4 1.8 1.8 5.8
41 3 1 8 27.125 54.251 1.68943 151.6 2.6 2.5 5.8
42 4 0 4 27.569 55.138 1.66433 266.7 4.5 4.4 5.8
43 3 3 0 27.716 55.432 1.65621 464.6 7.9 7.6 5.8
44 3 0 9 27.914 55.828 1.64538 388.4 6.6 6.4 5.8
45 1 1 12 28.068 56.136 1.6371 505.1 8.6 8.3 5.8
46 3 2 7 28.205 56.41 1.62979 371.9 6.3 6.1 5.8
47 2 2 10 28.875 57.749 1.59514 110.9 1.9 1.8 5.8
48 4 1 5 29.237 58.473 1.5771 784.7 13.4 12.8 5.8
49 4 2 0 29.357 58.713 1.57122 597.7 10.2 9.7 5.8
50 4 2 2 29.723 59.445 1.5536 552.4 9.4 9.0 5.8
51 3 1 10 30.475 60.951 1.51879 921.6 15.7 15.0 5.8
52 4 2 4 30.805 61.61 1.5041 203.8 3.5 3.3 5.8
53 3 2 9 31.127 62.255 1.49007 367.5 6.3 6.0 5.8
54 0 0 14 31.217 62.434 1.48621 92.5 1.6 1.5 5.8
55 4 1 7 31.399 62.799 1.47846 127.4 2.2 2.1 5.9
56 1 1 14 32.75 65.5 1.42388 255.5 4.4 4.1 5.9
57 2 2 12 32.802 65.605 1.42185 167.5 2.9 2.7 5.9
58 4 3 1 33.323 66.646 1.40215 191.5 3.3 3.1 5.9
59 5 1 0 33.984 67.968 1.37805 315.3 5.4 5.1 5.9
60 4 1 9 34.161 68.321 1.37179 255.4 4.4 4.1 5.9
61 2 0 14 34.246 68.492 1.36878 162.7 2.8 2.6 5.9
62 3 1 12 34.298 68.595 1.36698 565.2 9.6 9.1 5.9
63 1 0 15 34.473 68.946 1.36087 170.5 2.9 2.7 5.9
64 4 0 10 35.02 70.04 1.34227 217.0 3.7 3.5 5.9
65 5 0 5 35.347 70.693 1.33146 607.4 10.4 9.7 5.9
66 3 3 10 36.472 72.945 1.29581 310.3 5.3 4.9 6.0
67 5 2 3 36.919 73.838 1.28233 85.3 1.5 1.4 6.0
68 2 2 14 37.153 74.306 1.27541 76.5 1.3 1.2 6.0
69 4 3 7 37.321 74.642 1.2705 225.3 3.8 3.6 6.0
70 2 1 15 37.373 74.746 1.269 124.5 2.1 2.0 6.0
71 4 2 10 37.903 75.805 1.25387 240.4 4.1 3.8 6.0
72 5 2 5 38.219 76.438 1.24506 217.6 3.7 3.4 6.0
73 4 4 0 38.325 76.649 1.24216 122.0 2.1 1.9 6.0
74 3 1 14 38.574 77.148 1.23536 417.1 7.1 6.6 6.0
75 4 4 2 38.647 77.294 1.2334 145.6 2.5 2.3 6.0
76 4 4 4 39.609 79.219 1.20819 102.5 1.7 1.6 6.0
77 5 3 0 39.732 79.464 1.20507 189.9 3.2 3.0 6.0
78 5 0 9 39.899 79.797 1.20088 345.8 5.9 5.4 6.0
79 3 3 12 40.028 80.056 1.19765 273.3 4.7 4.3 6.0
80 5 2 7 40.144 80.287 1.19478 107.5 1.8 1.7 6.0
81 3 0 15 40.194 80.388 1.19353 144.8 2.5 2.3 6.0
82 6 0 0 41.127 82.254 1.17112 109.1 1.9 1.7 6.1
83 6 0 2 41.444 82.888 1.16377 218.4 3.7 3.4 6.1
84 5 1 10 42.101 84.202 1.14892 238.1 4.1 3.7 6.1
85 6 0 4 42.392 84.783 1.14252 98.3 1.7 1.5 6.1
86 2 1 17 42.485 84.97 1.14049 117.9 2.0 1.8 6.1
87 6 1 3 42.531 85.062 1.13949 86.2 1.5 1.3 6.1
88 5 2 9 42.677 85.354 1.13633 105.7 1.8 1.6 6.1
89 4 0 14 42.757 85.514 1.13462 113.0 1.9 1.7 6.1
90 3 2 15 42.969 85.938 1.1301 151.3 2.6 2.3 6.1
91 6 1 5 43.79 87.58 1.11309 210.9 3.6 3.2 6.2
92 6 2 0 43.893 87.785 1.11102 207.0 3.5 3.2 6.2
93 3 3 14 44.136 88.272 1.10615 183.9 3.1 2.8 6.2
94 6 2 2 44.207 88.414 1.10474 195.2 3.3 3.0 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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