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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THORIANITE
1, t-fluorite, g-uraninite
ThO(2)
Cubic F m3m Z = 4
Fm3m
22 .5 .1992
Ref.Str.:
Wyckoff R.W.G. (1963)
* Crystal Structures, 1, 241
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.5997 alpha = 90.0
b = 5.5997 beta = 90.0
c = 5.5997 gamma = 90.0
Unit cell volume (cub. angs.) = 175.59
Molar volume ( cub.cm/mol.) = 26.44
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 Th = 1.00
2 0.25 0.25 0.25 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 0.25 0.25 0.25
3 2 0.75 0.75 0.75
4 2 0.75 0.25 0.25
5 2 0.75 0.75 0.25
6 2 0.25 0.75 0.25
7 2 0.25 0.75 0.75
8 2 0.25 0.25 0.75
9 2 0.75 0.25 0.75
10 1 0.5 0.0 0.5
11 1 0.5 0.5 0.0
12 1 0.0 0.5 0.5
X-ray density (g/cm cub.) = 9.98
MU (1/cm) = 4057.906 Mass attenuation coefficient (cm**2/g) = 406.411
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Th 2.928 8
2.4247 2
2.4247 2
2.4247 2
2.4247 2
2.4247 2
2.4247 2
2.4247 2
2.4247 2
2 O 3.264 6
2.7998 2
2.7998 2
2.7998 2
2.7998 2
2.7998 2
2.7998 2
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 1 1 1 16.061 32.123 0.155 23.35 8 315.4 60261.8
2 2 0 0 18.631 37.261 0.179 16.89 6 259.1 22071.4
3 2 2 0 26.859 53.718 0.253 7.41 12 320.6 29666.3
4 1 1 3 31.99 63.981 0.296 5.01 24 269.0 28208.1
5 2 2 2 33.596 67.192 0.309 4.51 8 233.3 6370.1
6 4 0 0 39.712 79.425 0.357 3.29 6 278.9 4982.9
7 3 3 1 44.128 88.256 0.389 2.88 24 243.2 13246.2
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 1 1 1 16.061 32.123 3.23299 60261.8 100.0 100.0 5.6
2 2 0 0 18.631 37.261 2.79985 22071.4 36.6 36.5 5.7
3 2 2 0 26.859 53.718 1.97979 29666.3 49.2 48.1 5.8
4 1 1 3 31.99 63.981 1.68837 28208.1 46.8 45.1 5.9
5 2 2 2 33.596 67.192 1.61649 6370.1 10.6 10.1 5.9
6 4 0 0 39.712 79.425 1.39992 4982.9 8.3 7.7 6.0
7 3 3 1 44.128 88.256 1.28466 13246.2 22.0 20.1 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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