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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SPHALERITE
5, t-sphalerite, syn, f-sphalerite
(Zn,Fe)S
Cubic F 4(-)3m Z = 4
F4(-)3m
14 .11 .12
Ref.Str.:
de Jong W. (1927)
* Z. Kristallogr., 66, 515
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.431 alpha = 90.0
b = 5.431 beta = 90.0
c = 5.431 gamma = 90.0
Unit cell volume (cub. angs.) = 160.19
Molar volume ( cub.cm/mol.) = 24.12
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 Zn = 0.66, Fe = 0.34
2 0.25 0.25 0.25 0.0 S = 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.) = 3.9
MU (1/cm) = 222.287 Mass attenuation coefficient (cm**2/g) = 56.93
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zn ,Fe 3.18 4
2.3517 2
2.3517 2
2.3517 2
2.3517 2
2 S 4.368 12
3.8403 2
3.8403 2
3.8403 2
3.8403 2
3.8403 2
3.8403 2
3.8403 2
3.8403 2
3.8403 2
3.8403 2
3.8403 2
3.8403 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 16.574 33.149 0.159 21.81 8 108.9 8068.2
2 2 0 0 19.232 38.464 0.184 15.75 6 47.4 827.8
3 2 2 0 27.764 55.528 0.26 6.88 12 121.8 4768.4
4 1 1 3 33.109 66.218 0.305 4.65 24 84.7 3124.6
5 2 2 2 34.787 69.573 0.319 4.2 8 39.9 208.7
6 4 0 0 41.207 82.414 0.368 3.12 6 101.3 748.3
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 16.574 33.149 3.13559 8068.2 100.0 100.0 5.6
2 2 0 0 19.232 38.464 2.7155 827.8 10.3 10.2 5.7
3 2 2 0 27.764 55.528 1.92015 4768.4 59.1 57.7 5.8
4 1 1 3 33.109 66.218 1.63751 3124.6 38.7 37.2 5.9
5 2 2 2 34.787 69.573 1.56779 208.7 2.6 2.5 5.9
6 4 0 0 41.207 82.414 1.35775 748.3 9.3 8.6 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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