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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TREVORITE
1, t-spinel invers, f-oxospinelides, sf-spinel, s-magnetite
NiFe(2)O(4)
Cubic * Fd3m Z = 8
*Fd3m
14 .4 .1997
Ref.Str.:
Hill R.J., Graig J.R., Gibbs G.V. (1979)
* Phys. Chem. Minerals, 4, 317-339
Reserv:
A.V.Ch.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.325 alpha = 90.0
b = 8.325 beta = 90.0
c = 8.325 gamma = 90.0
Unit cell volume (cub. angs.) = 576.97
Molar volume ( cub.cm/mol.) = 43.44
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.125 0.125 0.125 0.0 Fe = 1.00
2 0.5 0.5 0.5 0.0 Fe = 0.5 , Ni = 0.5
3 0.2573 0.2573 0.2573 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.125 0.125 0.125
2 2 0.5 0.5 0.5
3 3 0.2573 0.2573 0.2573
4 1 0.875 0.875 0.875
5 3 0.7427 0.7427 0.7427
6 1 0.375 0.875 0.375
7 1 0.625 0.125 0.625
8 1 0.375 0.375 0.875
9 2 0.0 0.25 0.75
10 2 0.25 0.75 0.0
11 2 0.75 0.0 0.25
12 3 0.2427 0.0073 0.5073
13 3 0.4927 0.9927 0.7573
14 3 0.5073 0.2427 0.0073
15 1 0.625 0.625 0.125
16 1 0.875 0.375 0.375
17 1 0.125 0.625 0.625
18 3 0.7573 0.4927 0.9927
19 3 0.0073 0.5073 0.2427
20 3 0.9927 0.7573 0.4927
21 2 0.0 0.75 0.25
22 2 0.75 0.25 0.0
23 2 0.25 0.0 0.75
24 3 0.2427 0.5073 0.0073
25 3 0.9927 0.4927 0.7573
26 3 0.0073 0.2427 0.5073
27 3 0.7573 0.9927 0.4927
28 3 0.5073 0.0073 0.2427
29 3 0.4927 0.7573 0.9927
30 2 0.25 0.25 0.5
31 2 0.25 0.5 0.25
32 2 0.0 0.5 0.0
33 2 0.75 0.5 0.75
34 2 0.0 0.0 0.5
35 2 0.5 0.25 0.25
36 2 0.5 0.0 0.0
37 2 0.5 0.75 0.75
38 2 0.75 0.75 0.5
39 3 0.4927 0.4927 0.2573
40 3 0.0073 0.7427 0.0073
41 3 0.7573 0.2573 0.7573
42 3 0.5073 0.7427 0.5073
43 3 0.7573 0.7573 0.2573
44 3 0.7427 0.0073 0.0073
45 3 0.2573 0.7573 0.7573
46 3 0.7427 0.5073 0.5073
47 3 0.9927 0.9927 0.2573
48 3 0.0073 0.0073 0.7427
49 3 0.4927 0.2573 0.4927
50 3 0.2427 0.7427 0.2427
51 3 0.9927 0.2573 0.9927
52 3 0.2427 0.2427 0.7427
53 3 0.2573 0.4927 0.4927
54 3 0.7427 0.2427 0.2427
55 3 0.2573 0.9927 0.9927
56 3 0.5073 0.5073 0.7427
X-ray density (g/cm cub.) = 5.39
MU (1/cm) = 257.211 Mass attenuation coefficient (cm**2/g) = 47.677
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 4
1.9077 3
1.9077 3
1.9077 3
1.9077 3
2 Fe ,Ni 2.592 6
2.0223 3
2.0223 3
2.0223 3
2.0223 3
2.0223 3
2.0223 3
3 O 3.264 12
2.9458 3
2.9458 3
2.9458 3
2.9458 3
2.9458 3
2.9458 3
2.7714 3
3.1152 3
2.7714 3
3.1152 3
2.7714 3
3.1152 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 10.725 21.45 0.104 54.85 8 79.5 833.0
2 2 2 0 17.692 35.383 0.17 18.92 12 170.4 1981.5
3 3 1 0 19.862 39.725 0.19 14.66 24 0.0 0.0
4 1 1 3 20.876 41.752 0.199 13.12 24 278.3 7327.6
5 2 2 2 21.851 43.702 0.208 11.84 8 159.6 725.3
6 4 0 0 25.453 50.906 0.24 8.38 6 321.9 1565.6
7 3 3 1 27.926 55.852 0.262 6.79 24 33.5 54.9
8 2 2 4 31.76 63.52 0.294 5.09 24 134.3 662.2
9 1 1 5 33.938 67.875 0.312 4.42 24 251.2 2009.4
10 3 3 3 33.938 67.875 0.312 4.42 8 205.7 449.2
11 4 4 0 37.43 74.859 0.34 3.64 12 499.2 3271.1
12 5 3 0 38.792 77.584 0.35 3.42 24 0.0 0.0
13 5 3 1 39.467 78.935 0.355 3.32 48 50.1 120.2
14 4 4 2 40.14 80.28 0.36 3.24 24 3.6 0.3
15 6 2 0 42.807 85.613 0.38 2.97 24 112.5 271.0
16 3 3 5 44.793 89.586 0.394 2.84 24 196.4 789.3
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 10.725 21.45 4.80644 833.0 11.4 11.6 5.6
2 2 2 0 17.692 35.383 2.94333 1981.5 27.0 27.2 5.7
3 1 1 3 20.876 41.752 2.51008 7327.6 100.0 100.0 5.7
4 2 2 2 21.851 43.702 2.40322 725.3 9.9 9.9 5.7
5 4 0 0 25.453 50.906 2.08125 1565.6 21.4 21.1 5.8
6 2 2 4 31.76 63.52 1.69933 662.2 9.0 8.8 5.9
7 1 1 5 33.938 67.875 1.60215 2458.6 33.6 32.4 5.9
8 4 4 0 37.43 74.859 1.47167 3271.1 44.6 42.5 6.0
9 5 3 1 39.467 78.935 1.40718 120.2 1.6 1.5 6.0
10 6 2 0 42.807 85.613 1.3163 271.0 3.7 3.4 6.1
11 3 3 5 44.793 89.586 1.26955 789.3 10.8 9.9 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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