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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RUTHERFORDINE
2, f-rutherfordine
UO(2)CO(3)
Orthorhombic I mm2 Z = 2
R =0.022 NR =306
16 .10 .1901
Ref.Str.:
R.J.Finch, M.A.Cooper, F.C.Hawthorne (1999)
* Canad. Mineral., 37, 929-938
Reserv:
There are U(ij) in the article. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.84 alpha = 90.0
b = 9.273 beta = 90.0
c = 4.298 gamma = 90.0
Unit cell volume (cub. angs.) = 192.9
Molar volume ( cub.cm/mol.) = 58.1
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 U = 1.00
2 0.5 0.0 0.3864 0.0 C = 1.00
3 0.0 0.812 0.9951 0.0 O = 1.00
4 0.2638 0.0 0.5066 0.0 O = 1.00
5 0.5 0.0 0.0795 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.5 0.0 0.3864
3 3 0.0 0.812 0.9951
4 4 0.2638 0.0 0.5066
5 5 0.5 0.0 0.0795
6 3 0.0 0.188 0.9951
7 4 0.7362 0.0 0.5066
8 1 0.5 0.5 0.5
9 2 0.0 0.5 0.8864
10 3 0.5 0.688 0.4951
11 4 0.2362 0.5 0.0066
12 5 0.0 0.5 0.5795
13 3 0.5 0.312 0.4951
14 4 0.7638 0.5 0.0066
X-ray density (g/cm cub.) = 5.68
MU (1/cm) = 2025.166 Mass attenuation coefficient (cm**2/g) = 356.529
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 U 2.88 8
1.7435 3
2.5241 4
2.4753 4
2.444 5
2.444 5
1.7435 3
2.5241 4
2.4753 4
2 C 1.872 3
1.2545 4
1.3191 5
1.2545 4
3 O 3.264 8
3.0826 4
3.0129 4
3.0045 5
3.0045 5
3.0826 4
3.0129 4
3.1112 4
3.1112 4
4 O 3.264 10
3.0129 3
3.0826 3
2.7148 5
2.1626 5
3.0129 3
3.0826 3
2.2864 4
2.5536 4
3.1112 3
3.1112 3
5 O 3.264 8
3.0045 3
3.0045 3
2.1626 4
2.7148 4
3.0045 3
3.0045 3
2.1626 4
2.7148 4
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 2 0 11.123 22.246 0.108 50.84 2 203.3 11296.5
2 1 1 0 12.032 24.065 0.117 43.14 4 153.8 10963.5
3 0 1 1 13.26 26.521 0.128 35.16 4 155.5 9141.8
4 1 0 1 16.16 32.32 0.156 23.04 4 185.4 8514.3
5 1 2 1 19.794 39.589 0.189 14.77 8 137.3 5990.2
6 1 3 0 20.081 40.163 0.192 14.31 4 113.5 1982.7
7 0 3 1 20.882 41.763 0.199 13.11 4 116.0 1895.4
8 2 0 0 21.692 43.383 0.207 12.04 2 171.3 1898.9
9 0 4 0 22.696 45.391 0.216 10.87 2 190.6 2121.8
10 0 0 2 24.596 49.193 0.233 9.06 2 195.4 1859.6
11 2 2 0 24.641 49.282 0.233 9.02 4 130.4 1648.7
12 2 1 1 25.785 51.571 0.243 8.14 8 177.8 5527.3
13 0 2 2 27.307 54.614 0.256 7.14 4 155.8 1862.6
14 1 1 2 27.743 55.486 0.26 6.89 8 143.4 3044.4
15 1 4 1 28.408 56.815 0.266 6.53 8 141.0 2791.2
16 2 3 1 30.896 61.792 0.287 5.41 8 144.2 2418.4
17 1 5 0 31.097 62.194 0.289 5.33 4 139.7 1118.2
18 0 5 1 31.687 63.374 0.294 5.11 4 140.7 1088.4
19 2 4 0 32.297 64.593 0.299 4.91 4 134.7 956.8
20 1 3 2 32.654 65.308 0.302 4.79 8 115.5 1374.6
21 2 0 2 33.824 67.648 0.311 4.45 4 140.7 946.1
22 3 1 0 34.246 68.492 0.315 4.33 4 132.3 815.4
23 0 4 2 34.579 69.159 0.317 4.25 4 155.0 1097.6
24 0 6 0 35.363 70.726 0.324 4.06 2 171.5 641.8
25 2 2 2 36.095 72.19 0.329 3.9 8 112.2 1055.1
26 3 0 1 36.313 72.625 0.331 3.85 4 140.6 818.6
27 3 2 1 38.522 77.045 0.348 3.46 8 113.6 960.4
28 3 3 0 38.711 77.422 0.35 3.43 4 109.1 439.1
29 0 1 3 39.179 78.357 0.353 3.36 4 123.8 554.3
30 1 6 1 39.956 79.912 0.359 3.26 8 136.3 1302.9
31 2 5 1 39.962 79.925 0.359 3.26 8 157.2 1731.4
32 1 0 3 40.625 81.251 0.364 3.18 4 139.8 668.2
33 1 5 2 41.554 83.108 0.371 3.08 8 133.6 1182.3
34 2 4 2 42.632 85.264 0.379 2.98 8 117.3 882.0
35 1 2 3 42.772 85.545 0.38 2.97 8 115.2 848.4
36 2 6 0 43.37 86.74 0.384 2.93 4 131.6 544.5
37 0 3 3 43.483 86.965 0.385 2.92 4 103.8 338.3
38 3 1 2 44.423 88.845 0.391 2.86 8 127.9 1004.9
39 1 7 0 44.431 88.861 0.391 2.86 4 107.8 356.8
40 0 7 1 44.955 89.91 0.395 2.83 4 108.8 360.4
41 3 4 1 44.975 89.949 0.395 2.83 8 118.2 849.8
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 2 0 11.123 22.246 4.6365 11296.5 100.0 100.0 5.6
2 1 1 0 12.032 24.065 4.29071 10963.5 97.1 96.9 5.6
3 0 1 1 13.26 26.521 3.8995 9141.8 80.9 80.7 5.6
4 1 0 1 16.16 32.32 3.21376 8514.3 75.4 74.8 5.6
5 1 2 1 19.794 39.589 2.64129 5990.2 53.0 52.3 5.7
6 1 3 0 20.081 40.163 2.60507 1982.7 17.6 17.3 5.7
7 0 3 1 20.882 41.763 2.50944 1895.4 16.8 16.5 5.7
8 2 0 0 21.692 43.383 2.42 1898.9 16.8 16.5 5.7
9 0 4 0 22.696 45.391 2.31825 2121.8 18.8 18.4 5.7
10 0 0 2 24.596 49.193 2.149 1859.6 16.5 16.1 5.7
11 2 2 0 24.641 49.282 2.14535 1648.7 14.6 14.2 5.7
12 2 1 1 25.785 51.571 2.05622 5527.3 48.9 47.6 5.8
13 0 2 2 27.307 54.614 1.94975 1862.6 16.5 16.0 5.8
14 1 1 2 27.743 55.486 1.92147 3044.4 26.9 26.1 5.8
15 1 4 1 28.408 56.815 1.88013 2791.2 24.7 23.9 5.8
16 2 3 1 30.896 61.792 1.74196 2418.4 21.4 20.5 5.8
17 1 5 0 31.097 62.194 1.73181 1118.2 9.9 9.5 5.8
18 0 5 1 31.687 63.374 1.70283 1088.4 9.6 9.2 5.9
19 2 4 0 32.297 64.593 1.67407 956.8 8.5 8.1 5.9
20 1 3 2 32.654 65.308 1.65774 1374.6 12.2 11.6 5.9
21 2 0 2 33.824 67.648 1.60688 946.1 8.4 8.0 5.9
22 3 1 0 34.246 68.492 1.58946 815.4 7.2 6.8 5.9
23 0 4 2 34.579 69.159 1.57601 1097.6 9.7 9.2 5.9
24 0 6 0 35.363 70.726 1.5455 641.8 5.7 5.4 5.9
25 2 2 2 36.095 72.19 1.51828 1055.1 9.3 8.8 5.9
26 3 0 1 36.313 72.625 1.51043 818.6 7.2 6.8 6.0
27 3 2 1 38.522 77.045 1.43614 960.4 8.5 7.9 6.0
28 3 3 0 38.711 77.422 1.43024 439.1 3.9 3.6 6.0
29 0 1 3 39.179 78.357 1.41587 554.3 4.9 4.6 6.0
30 2 5 1 39.962 79.925 1.39262 3034.3 26.9 24.9 6.0
31 1 0 3 40.625 81.251 1.37375 668.2 5.9 5.5 6.1
32 1 5 2 41.554 83.108 1.34845 1182.3 10.5 9.6 6.1
33 2 4 2 42.632 85.264 1.32065 882.0 7.8 7.1 6.1
34 1 2 3 42.772 85.545 1.31715 848.4 7.5 6.9 6.1
35 2 6 0 43.37 86.74 1.30254 544.5 4.8 4.4 6.1
36 0 3 3 43.483 86.965 1.29983 338.3 3.0 2.7 6.1
37 3 1 2 44.423 88.845 1.2779 1361.7 12.1 10.9 6.2
38 3 4 1 44.975 89.949 1.26552 1210.2 10.7 9.7 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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