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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MOISSANITE
2, 3C, syn
SiC
Cubic F 4(-)3m Z = 4
F4(-)3m
3 .6 .1992
Ref.Str.:
Wyckoff R.W.G. (1963)
* Crystal Structures, 1, 108-110
Reserv:
In original - cubomoissanite.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.348 alpha = 90.0
b = 4.348 beta = 90.0
c = 4.348 gamma = 90.0
Unit cell volume (cub. angs.) = 82.2
Molar volume ( cub.cm/mol.) = 12.38
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 Si = 1.00
2 0.25 0.25 0.25 0.0 C = 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 1 0.5 0.0 0.5
4 2 0.25 0.75 0.75
5 1 0.0 0.5 0.5
6 2 0.75 0.75 0.25
7 1 0.5 0.5 0.0
8 2 0.75 0.25 0.75
X-ray density (g/cm cub.) = 3.24
MU (1/cm) = 141.95 Mass attenuation coefficient (cm**2/g) = 43.825
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 3.588 4
1.8827 2
1.8827 2
1.8827 2
1.8827 2
2 C 6.24 54
6.149 2
6.149 2
4.348 2
6.149 2
6.149 2
6.149 2
4.348 2
6.149 2
4.348 2
4.348 2
6.149 2
4.348 2
6.149 2
6.149 2
6.149 2
4.348 2
6.149 2
6.149 2
5.3252 2
5.3252 2
5.3252 2
5.3252 2
3.0745 2
3.0745 2
3.0745 2
3.0745 2
5.3252 2
5.3252 2
5.3252 2
5.3252 2
5.3252 2
3.0745 2
5.3252 2
5.3252 2
3.0745 2
5.3252 2
5.3252 2
3.0745 2
5.3252 2
5.3252 2
3.0745 2
5.3252 2
5.3252 2
5.3252 2
3.0745 2
3.0745 2
5.3252 2
5.3252 2
5.3252 2
5.3252 2
3.0745 2
3.0745 2
5.3252 2
5.3252 2
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 1 1 1 17.869 35.738 0.199 18.51 8 42.3 3924.2
2 2 0 0 20.751 41.503 0.23 13.3 6 24.9 732.6
3 2 2 0 30.071 60.142 0.325 5.74 12 42.2 1816.9
4 1 1 3 35.984 71.969 0.381 3.92 24 31.7 1397.0
5 2 2 2 37.857 75.714 0.398 3.57 8 22.0 205.2
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 1 1 1 17.869 35.738 2.51032 3924.2 100.0 100.0 5.7
2 2 0 0 20.751 41.503 2.174 732.6 18.7 18.6 5.7
3 2 2 0 30.071 60.142 1.53725 1816.9 46.3 45.0 5.8
4 1 1 3 35.984 71.969 1.31097 1397.0 35.6 33.9 5.9
5 2 2 2 37.857 75.714 1.25516 205.2 5.2 4.9 6.0
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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