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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COPPER
1, t-copper
Cu
Cubic F m3m Z = 4
Fm3m
10 .6 .1992
Ref.Str.:
Wyckoff R.W.G. (1963)
* Crystal Structures, 1, 7-10
R: ATOMIC. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.615 alpha = 90.0
b = 3.615 beta = 90.0
c = 3.615 gamma = 90.0
Unit cell volume (cub. angs.) = 47.24
Molar volume ( cub.cm/mol.) = 7.11
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 Cu = 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 1 0.5 0.0 0.5
3 1 0.5 0.5 0.0
4 1 0.0 0.5 0.5
X-ray density (g/cm cub.) = 8.93
MU (1/cm) = 472.5 Mass attenuation coefficient (cm**2/g) = 52.9
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.072 12
2.5562 1
2.5562 1
2.5562 1
2.5562 1
2.5562 1
2.5562 1
2.5562 1
2.5562 1
2.5562 1
2.5562 1
2.5562 1
2.5562 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 1 21.658 43.316 0.24 12.08 8 89.6 34803.4
2 2 0 0 25.224 50.449 0.277 8.55 6 86.1 17037.4
3 2 2 0 37.062 74.125 0.391 3.71 12 74.1 10935.8
4 1 1 3 44.968 89.936 0.459 2.83 24 66.7 13560.0
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 21.658 43.316 2.0871 34803.4 100.0 100.0 5.7
2 2 0 0 25.224 50.449 1.80748 17037.4 49.0 48.6 5.8
3 2 2 0 37.062 74.125 1.27808 10935.8 31.4 30.0 6.0
4 1 1 3 44.968 89.936 1.08995 13560.0 39.0 35.9 6.2
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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