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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LIME
1, t-halite , g-periclase
CaO
Cubic F m3m Z = 4
Fm3m
13 .4 .1992
Ref.Str.:
1. Smyth J.R.,Bish D.L.(1988)
* Crystal structures and cation sites of the rock-forming minerals.Boston.
2. Wyckoff R.G.W.(1963)
* Crystal Structures, v.1
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.8105 alpha = 90.0
b = 4.8105 beta = 90.0
c = 4.8105 gamma = 90.0
Unit cell volume (cub. angs.) = 111.32
Molar volume ( cub.cm/mol.) = 16.76
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 Ca = 1.00
2 0.0 0.0 0.5 0.0 O = 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 0.0 0.0 0.5
3 1 0.5 0.0 0.5
4 1 0.5 0.5 0.0
5 1 0.0 0.5 0.5
6 2 0.5 0.0 0.0
7 2 0.5 0.5 0.5
8 2 0.0 0.5 0.0
X-ray density (g/cm cub.) = 3.35
MU (1/cm) = 398.268 Mass attenuation coefficient (cm**2/g) = 119.063
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 6
2.4053 2
2.4053 2
2.4053 2
2.4053 2
2.4053 2
2.4053 2
2 O 3.264 0
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 16.102 32.204 0.18 23.22 8 36.9 2042.6
2 2 0 0 18.678 37.356 0.208 16.8 6 80.1 5211.4
3 2 2 0 26.93 53.86 0.294 7.37 12 65.9 3096.3
4 1 1 3 32.078 64.156 0.345 4.98 24 30.0 868.0
5 2 2 2 33.689 67.378 0.36 4.48 8 56.9 936.6
6 4 0 0 39.829 79.658 0.416 3.28 6 50.9 410.7
7 3 3 1 44.264 88.528 0.453 2.87 24 26.4 385.7
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 16.102 32.204 2.77734 2042.6 39.2 39.4 5.6
2 2 0 0 18.678 37.356 2.40525 5211.4 100.0 100.0 5.7
3 2 2 0 26.93 53.86 1.70077 3096.3 59.4 58.3 5.8
4 1 1 3 32.078 64.156 1.45042 868.0 16.7 16.1 5.9
5 2 2 2 33.689 67.378 1.38867 936.6 18.0 17.3 5.9
6 4 0 0 39.829 79.658 1.20262 410.7 7.9 7.4 6.0
7 3 3 1 44.264 88.528 1.1036 385.7 7.4 6.8 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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