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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TREVORITE
2, t-spinel invers, f-oxospinelides, sf-spinel, s-magnetite
(Ni,Fe)Fe(2)O(4)
Cubic * Fd3m Z = 8
*Fd3m
22 .8 .14
Ref.Str.:
O'Driscoll B., Clay P.L., Cawthorn P.L., Lenaz D., Adetunji J.,
Kronz A. (2014) * Mineral. Mag., 78, 317-339
R: from Bon Accord, South Africa. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.3626 alpha = 90.0
b = 8.3626 beta = 90.0
c = 8.3626 gamma = 90.0
Unit cell volume (cub. angs.) = 584.82
Molar volume ( cub.cm/mol.) = 44.03
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 = 0.71, Ni = 0.26, Cr = 0.03
3 0.2555 0.2555 0.2555 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 0.2555 0.2555 0.2555
4 1 0.875 0.875 0.875
5 3 0.7445 0.7445 0.7445
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 0.2445 0.0055 0.5055
13 3 0.4945 0.9945 0.7555
14 3 0.5055 0.2445 0.0055
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 0.7555 0.4945 0.9945
19 3 0.0055 0.5055 0.2445
20 3 0.9945 0.7555 0.4945
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 0.2445 0.5055 0.0055
25 3 0.9945 0.4945 0.7555
26 3 0.0055 0.2445 0.5055
27 3 0.7555 0.9945 0.4945
28 3 0.5055 0.0055 0.2445
29 3 0.4945 0.7555 0.9945
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 0.4945 0.4945 0.2555
40 3 0.0055 0.7445 0.0055
41 3 0.7555 0.2555 0.7555
42 3 0.5055 0.7445 0.5055
43 3 0.7555 0.7555 0.2555
44 3 0.7445 0.0055 0.0055
45 3 0.2555 0.7555 0.7555
46 3 0.7445 0.5055 0.5055
47 3 0.9945 0.9945 0.2555
48 3 0.0055 0.0055 0.7445
49 3 0.4945 0.2555 0.4945
50 3 0.2445 0.7445 0.2445
51 3 0.9945 0.2555 0.9945
52 3 0.2445 0.2445 0.7445
53 3 0.2555 0.4945 0.4945
54 3 0.7445 0.2445 0.2445
55 3 0.2555 0.9945 0.9945
56 3 0.5055 0.5055 0.7445
X-ray density (g/cm cub.) = 5.29
MU (1/cm) = 263.764 Mass attenuation coefficient (cm**2/g) = 49.897
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 4
1.8902 3
1.8902 3
1.8902 3
1.8902 3
2 Fe ,Ni ,Cr 2.628 6
2.0457 3
2.0457 3
2.0457 3
2.0457 3
2.0457 3
2.0457 3
3 O 3.264 12
2.9581 3
2.9581 3
2.9581 3
2.9581 3
2.9581 3
2.9581 3
2.8265 3
3.0867 3
2.8265 3
3.0867 3
2.8265 3
3.0867 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 10.676 21.353 0.104 55.37 8 71.1 654.7
2 2 2 0 17.609 35.219 0.169 19.11 12 170.0 1937.2
3 3 1 0 19.769 39.539 0.189 14.81 24 0.0 0.0
4 1 1 3 20.778 41.556 0.198 13.26 24 275.3 7053.6
5 2 2 2 21.748 43.495 0.207 11.97 8 149.8 628.5
6 4 0 0 25.33 50.661 0.239 8.47 6 315.2 1476.8
7 3 3 1 27.79 55.579 0.261 6.86 24 33.3 53.2
8 2 2 4 31.6 63.201 0.293 5.15 24 135.1 659.4
9 1 1 5 33.764 67.529 0.311 4.46 24 242.9 1848.4
10 3 3 3 33.764 67.529 0.311 4.46 8 208.3 452.9
11 4 4 0 37.233 74.466 0.338 3.68 12 494.4 3153.8
12 5 3 0 38.585 77.17 0.349 3.45 24 0.0 0.0
13 5 3 1 39.256 78.511 0.354 3.35 48 44.5 93.2
14 4 4 2 39.923 79.846 0.359 3.26 24 2.1 0.1
15 6 2 0 42.569 85.137 0.378 2.99 24 114.0 272.4
16 3 3 5 44.538 89.076 0.392 2.85 24 193.6 750.2
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 10.676 21.353 4.82815 654.7 9.3 9.4 5.6
2 2 2 0 17.609 35.219 2.95663 1937.2 27.5 27.6 5.7
3 1 1 3 20.778 41.556 2.52142 7053.6 100.0 100.0 5.7
4 2 2 2 21.748 43.495 2.41407 628.5 8.9 8.9 5.7
5 4 0 0 25.33 50.661 2.09065 1476.8 20.9 20.7 5.8
6 2 2 4 31.6 63.201 1.70701 659.4 9.3 9.1 5.9
7 1 1 5 33.764 67.529 1.60938 2301.3 32.6 31.5 5.9
8 4 4 0 37.233 74.466 1.47831 3153.8 44.7 42.6 6.0
9 5 3 1 39.256 78.511 1.41354 93.2 1.3 1.2 6.0
10 6 2 0 42.569 85.137 1.32224 272.4 3.9 3.6 6.1
11 3 3 5 44.538 89.076 1.27528 750.2 10.6 9.8 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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