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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GUPEIITE
1, f-suessite
Fe(3)Si
Cubic F m3m Z = 4
Fm3m
22 .7 .14
Ref.Str.:
Yu Z. (1984)
* Acta Petrol. Mineral. Analytica, 3, 231-238
R: cosmic dust found in placers, Yanshan, China.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.67 alpha = 90.0
b = 5.67 beta = 90.0
c = 5.67 gamma = 90.0
Unit cell volume (cub. angs.) = 182.28
Molar volume ( cub.cm/mol.) = 27.45
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.5 0.5 0.0 Fe = 0.99, Ni = 0.01, Mn = 0.01
2 0.25 0.25 0.25 0.0 Fe = 0.99, Ni = 0.01, Mn = 0.01
3 0.0 0.0 0.0 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.5 0.5
2 2 0.25 0.25 0.25
3 3 0.0 0.0 0.0
4 2 0.75 0.75 0.75
5 2 0.75 0.25 0.25
6 2 0.75 0.75 0.25
7 2 0.25 0.75 0.25
8 2 0.25 0.75 0.75
9 2 0.25 0.25 0.75
10 2 0.75 0.25 0.75
11 1 0.0 0.5 0.0
12 1 0.0 0.0 0.5
13 1 0.5 0.0 0.0
14 3 0.5 0.0 0.5
15 3 0.5 0.5 0.0
16 3 0.0 0.5 0.5
X-ray density (g/cm cub.) = 7.32
MU (1/cm) = 481.91 Mass attenuation coefficient (cm**2/g) = 65.875
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe ,Ni ,Mn 3.276 6
2.835 3
2.835 3
2.835 3
2.835 3
2.835 3
2.835 3
2 Fe ,Ni ,Mn 3.276 4
2.4552 3
2.4552 3
2.4552 3
2.4552 3
3 S 4.368 12
4.0093 3
4.0093 3
4.0093 3
4.0093 3
4.0093 3
4.0093 3
4.0093 3
4.0093 3
4.0093 3
4.0093 3
4.0093 3
4.0093 3
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 15.857 31.714 0.153 24.0 8 37.5 814.5
2 2 0 0 18.391 36.783 0.176 17.38 6 37.0 429.7
3 2 2 0 26.5 52.999 0.249 7.65 12 262.0 18954.5
4 1 1 3 31.548 63.095 0.292 5.16 24 31.8 378.1
5 2 2 2 33.125 66.251 0.305 4.65 8 31.0 107.4
6 4 0 0 39.125 78.25 0.353 3.37 6 216.5 2854.7
7 3 3 1 43.443 86.886 0.384 2.92 24 25.4 136.5
8 4 2 0 44.869 89.739 0.394 2.83 24 24.7 125.3
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 15.857 31.714 3.27358 814.5 4.3 4.4 5.6
2 2 0 0 18.391 36.783 2.835 429.7 2.3 2.3 5.7
3 2 2 0 26.5 52.999 2.00465 18954.5 100.0 100.0 5.8
4 1 1 3 31.548 63.095 1.70957 378.1 2.0 2.0 5.9
5 4 0 0 39.125 78.25 1.4175 2854.7 15.1 14.4 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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