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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CHROMITE
1, t-spinel, f-oxospinelides, sf-spinel, s-chromite
FeCr(2)O(4)
Cubic F d3m Z = 8
Fd3m
17 .4 .1992
Ref.Str.:
1. Smyth J.R., Bish D.L. (1988)
* Crystal structures and cation sites of the rock-forming
minerals. Boston.
2. Hill R.J., Craig J.R., Gibbs G.V. (1979)
* Phys. Chem. Minerals, 4, 317-339
3. Yamanaka T., Takeuchi Y., Tokonami M. (1984)
* Acta Cryst., B40, 96-102
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.3792 alpha = 90.0
b = 8.3792 beta = 90.0
c = 8.3792 gamma = 90.0
Unit cell volume (cub. angs.) = 588.31
Molar volume ( cub.cm/mol.) = 44.3
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.625 0.625 0.625 0.56 Cr = 1.00
2 0.0 0.0 0.0 0.61 Fe = 1.00
3 0.3873 0.3873 0.3873 0.85 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.625 0.625 0.625
2 2 0.0 0.0 0.0
3 3 0.3873 0.3873 0.3873
4 1 0.125 0.375 0.875
5 1 0.375 0.875 0.125
6 1 0.875 0.125 0.375
7 2 0.75 0.75 0.25
8 2 0.0 0.5 0.5
9 2 0.25 0.75 0.75
10 3 0.3627 0.1373 0.6373
11 3 0.6127 0.1127 0.8873
12 3 0.6373 0.3627 0.1373
13 1 0.125 0.875 0.375
14 1 0.875 0.375 0.125
15 1 0.375 0.125 0.875
16 2 0.75 0.25 0.75
17 2 0.5 0.0 0.5
18 3 0.3627 0.6373 0.1373
19 3 0.1127 0.6127 0.8873
20 3 0.1373 0.3627 0.6373
21 1 0.375 0.375 0.625
22 1 0.375 0.625 0.375
23 1 0.125 0.625 0.125
24 1 0.875 0.625 0.875
25 1 0.125 0.125 0.625
26 1 0.625 0.375 0.375
27 1 0.625 0.125 0.125
28 1 0.625 0.875 0.875
29 1 0.875 0.875 0.625
30 2 0.25 0.25 0.25
31 2 0.5 0.5 0.0
32 3 0.6127 0.6127 0.3873
33 3 0.1373 0.8627 0.1373
34 3 0.8873 0.3873 0.8873
35 3 0.6373 0.8627 0.6373
36 3 0.8873 0.8873 0.3873
37 3 0.8627 0.1373 0.1373
38 3 0.3873 0.8873 0.8873
39 3 0.8627 0.6373 0.6373
40 3 0.1127 0.1127 0.3873
41 3 0.3873 0.6127 0.6127
42 3 0.6127 0.3873 0.6127
43 3 0.1373 0.6373 0.3627
44 3 0.8627 0.3627 0.3627
45 3 0.1127 0.3873 0.1127
46 3 0.8873 0.6127 0.1127
47 3 0.3627 0.3627 0.8627
48 3 0.6373 0.6373 0.8627
49 3 0.6127 0.8873 0.1127
50 3 0.3873 0.1127 0.1127
51 3 0.3627 0.8627 0.3627
52 3 0.6373 0.1373 0.3627
53 3 0.8627 0.8627 0.8627
54 3 0.1373 0.1373 0.8627
55 3 0.8873 0.1127 0.6127
56 3 0.1127 0.8873 0.6127
X-ray density (g/cm cub.) = 5.05
MU (1/cm) = 986.641 Mass attenuation coefficient (cm**2/g) = 195.272
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cr 2.628 6
1.9971 3
1.9971 3
1.9971 3
1.9971 3
1.9971 3
1.9971 3
2 Fe 2.592 4
1.9927 3
1.9927 3
1.9927 3
1.9927 3
3 O 3.264 12
2.9697 3
2.9697 3
2.9697 3
2.9697 3
2.671 3
3.254 3
2.671 3
2.671 3
2.9697 3
3.254 3
3.254 3
2.9697 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 10.655 21.31 0.103 55.6 8 66.3 564.4
2 2 2 0 17.573 35.147 0.169 19.2 12 170.8 1941.0
3 1 1 3 20.735 41.469 0.198 13.32 24 247.6 5663.7
4 2 2 2 21.702 43.405 0.207 12.03 8 117.7 385.1
5 4 0 0 25.277 50.553 0.239 8.51 6 262.6 1017.6
6 3 3 1 27.73 55.46 0.26 6.9 24 1.2 0.1
7 4 2 0 28.515 57.03 0.267 6.47 24 0.0 0.0
8 2 2 4 31.531 63.061 0.292 5.17 24 126.2 571.0
9 1 1 5 33.688 67.377 0.31 4.48 24 229.1 1631.9
10 3 3 3 33.688 67.377 0.31 4.48 8 159.9 265.2
11 4 4 0 37.147 74.293 0.338 3.69 12 420.0 2257.9
12 5 3 1 39.163 78.326 0.353 3.37 48 31.6 46.5
13 4 4 2 39.828 79.656 0.358 3.28 24 8.9 1.8
14 6 2 0 42.464 84.929 0.377 3.0 24 99.7 206.6
15 3 3 5 44.426 88.853 0.391 2.86 24 162.2 521.5
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 10.655 21.31 4.83773 564.4 10.0 10.1 5.6
2 2 2 0 17.573 35.147 2.96249 1941.0 34.3 34.5 5.7
3 1 1 3 20.735 41.469 2.52642 5663.7 100.0 100.0 5.7
4 2 2 2 21.702 43.405 2.41887 385.1 6.8 6.8 5.7
5 4 0 0 25.277 50.553 2.0948 1017.6 18.0 17.8 5.8
6 2 2 4 31.531 63.061 1.7104 571.0 10.1 9.8 5.9
7 1 1 5 33.688 67.377 1.61258 1897.1 33.5 32.4 5.9
8 4 4 0 37.147 74.293 1.48125 2257.9 39.9 38.0 6.0
9 6 2 0 42.464 84.929 1.32487 206.6 3.6 3.4 6.1
10 3 3 5 44.426 88.853 1.27782 521.5 9.2 8.5 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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