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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FREBOLDITE
1, t-nickeline, f-sederholmite
CoSe
Hexagonal P 6(3)/mmc Z = 2
P6(3)/mmc
20 .5 .1992
Ref.Str.:
Wyckoff R.W.G. (1963)
* Crystal Structures, 1, 123-124
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.6294 alpha = 90.0
b = 3.6294 beta = 90.0
c = 5.3006 gamma = 120.0
Unit cell volume (cub. angs.) = 60.47
Molar volume ( cub.cm/mol.) = 18.21
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 Co = 1.00
2 0.3333 0.6667 0.25 0.0 Se = 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 0.3333 0.6667 0.25
3 1 0.0 0.0 0.5
4 2 0.6667 0.3333 0.75
X-ray density (g/cm cub.) = 7.57
MU (1/cm) = 804.646 Mass attenuation coefficient (cm**2/g) = 106.28
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Co 3.252 6
2.4793 2
2.4793 2
2.4793 2
2.4793 2
2.4793 2
2.4793 2
2 Se 4.632 12
3.6294 2
3.6294 2
3.6294 2
3.6294 2
3.6294 2
3.6294 2
3.3786 2
3.3786 2
3.3786 2
3.3786 2
3.3786 2
3.3786 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 0 0 16.533 33.067 0.159 21.93 6 16.4 962.6
2 1 0 1 19.32 38.64 0.185 15.59 12 47.8 11686.3
3 0 0 2 19.724 39.449 0.189 14.89 2 11.9 115.1
4 1 0 2 26.197 52.394 0.247 7.85 12 64.1 10576.8
5 1 1 0 29.531 59.062 0.276 5.98 6 85.3 7132.9
6 2 0 0 34.691 69.382 0.318 4.22 6 11.5 92.2
7 1 0 3 35.503 71.006 0.325 4.03 12 39.0 2012.1
8 2 0 1 36.416 72.831 0.332 3.83 12 38.6 1877.5
9 1 1 2 36.682 73.363 0.334 3.78 12 11.2 155.8
10 2 0 2 41.429 82.858 0.37 3.09 12 52.3 2774.2
11 0 0 4 42.453 84.906 0.377 3.0 2 72.6 864.2
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 0 0 16.533 33.067 3.14315 962.6 8.2 8.3 5.6
2 1 0 1 19.32 38.64 2.70357 11686.3 100.0 100.0 5.7
3 1 0 2 26.197 52.394 2.02615 10576.8 90.5 89.1 5.8
4 1 1 0 29.531 59.062 1.8147 7132.9 61.0 59.6 5.8
5 1 0 3 35.503 71.006 1.5402 2012.1 17.2 16.5 5.9
6 2 0 1 36.416 72.831 1.50674 1877.5 16.1 15.3 6.0
7 1 1 2 36.682 73.363 1.49733 155.8 1.3 1.3 6.0
8 2 0 2 41.429 82.858 1.35178 2774.2 23.7 22.2 6.1
9 0 0 4 42.453 84.906 1.32515 864.2 7.4 6.9 6.1
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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