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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IRON
2, alpha, t-alpha-iron, f-iron
Fe
Cubic I m3m Z = 2
Im3m
10 .6 .1992
Ref.Str.:
Wyckoff R.W.G. (1963)
* Crystal Structures, 1, 15-16
R: ATOMIC. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 2.8665 alpha = 90.0
b = 2.8665 beta = 90.0
c = 2.8665 gamma = 90.0
Unit cell volume (cub. angs.) = 23.55
Molar volume ( cub.cm/mol.) = 7.09
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 Fe = 0.98, Ni = 0.02
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 1 0.5 0.5 0.5
X-ray density (g/cm cub.) = 7.88
MU (1/cm) = 2451.693 Mass attenuation coefficient (cm**2/g) = 311.129
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe ,Ni 3.024 14
2.8665 1
2.8665 1
2.8665 1
2.8665 1
2.8665 1
2.8665 1
2.4825 1
2.4825 1
2.4825 1
2.4825 1
2.4825 1
2.4825 1
2.4825 1
2.4825 1
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 0 22.335 44.67 0.247 11.27 12 34.8 29491.6
2 2 0 0 32.509 65.019 0.349 4.84 6 28.4 4217.4
3 1 1 2 41.164 82.329 0.427 3.12 24 24.2 7894.5
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 0 22.335 44.67 2.02692 29491.6 100.0 100.0 5.7
2 2 0 0 32.509 65.019 1.43325 4217.4 14.3 13.9 5.9
3 1 1 2 41.164 82.329 1.17024 7894.5 26.8 25.2 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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