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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SPINEL
67, t-spinel, f-oxospinelides, sf-spinel, s-spinel
Mg(Al,Cr)(2)O(4)
Cubic F d3m Z = 8
R =0.0137
19 .9 .3
Ref.Str.:
B. Lavina, A. Koneva, A. Della Giusta (2003)
* Eur. J. Mineral., 15, 435-441
R: from the Olkhem metamorphic complex, lake Baikal, Russia. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.1172 alpha = 90.0
b = 8.1172 beta = 90.0
c = 8.1172 gamma = 90.0
Unit cell volume (cub. angs.) = 534.83
Molar volume ( cub.cm/mol.) = 40.27
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.5 0.5 0.0 Mg = 0.88, Al = 0.11, Zn = 0.01
2 0.125 0.125 0.125 0.0 Al = 0.83, Mg = 0.05, Cr = 0.12
3 0.2633 0.2633 0.2633 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.5 0.5
2 2 0.125 0.125 0.125
3 3 0.2633 0.2633 0.2633
4 1 0.25 0.25 0.75
5 1 0.5 0.0 0.0
6 1 0.75 0.25 0.25
7 2 0.625 0.875 0.375
8 2 0.875 0.375 0.625
9 2 0.375 0.625 0.875
10 3 0.4867 0.0133 0.5133
11 3 0.7367 0.2367 0.7633
12 3 0.5133 0.4867 0.0133
13 1 0.25 0.75 0.25
14 1 0.0 0.5 0.0
15 2 0.625 0.375 0.875
16 2 0.375 0.875 0.625
17 2 0.875 0.625 0.375
18 3 0.4867 0.5133 0.0133
19 3 0.2367 0.7367 0.7633
20 3 0.0133 0.4867 0.5133
21 1 0.75 0.75 0.75
22 1 0.0 0.0 0.5
23 2 0.875 0.875 0.125
24 2 0.875 0.125 0.875
25 2 0.625 0.125 0.625
26 2 0.375 0.125 0.375
27 2 0.625 0.625 0.125
28 2 0.125 0.875 0.875
29 2 0.125 0.625 0.625
30 2 0.125 0.375 0.375
31 2 0.375 0.375 0.125
32 3 0.7367 0.7367 0.2633
33 3 0.0133 0.9867 0.0133
34 3 0.7633 0.2633 0.7633
35 3 0.5133 0.9867 0.5133
36 3 0.7633 0.7633 0.2633
37 3 0.9867 0.0133 0.0133
38 3 0.2633 0.7633 0.7633
39 3 0.9867 0.5133 0.5133
40 3 0.2367 0.2367 0.2633
41 3 0.2633 0.7367 0.7367
42 3 0.7367 0.2633 0.7367
43 3 0.0133 0.5133 0.4867
44 3 0.9867 0.4867 0.4867
45 3 0.2367 0.2633 0.2367
46 3 0.7633 0.7367 0.2367
47 3 0.4867 0.4867 0.9867
48 3 0.5133 0.5133 0.9867
49 3 0.7367 0.7633 0.2367
50 3 0.2633 0.2367 0.2367
51 3 0.4867 0.9867 0.4867
52 3 0.5133 0.0133 0.4867
53 3 0.9867 0.9867 0.9867
54 3 0.0133 0.0133 0.9867
55 3 0.7633 0.2367 0.7367
56 3 0.2367 0.7633 0.7367
X-ray density (g/cm cub.) = 3.68
MU (1/cm) = 177.449 Mass attenuation coefficient (cm**2/g) = 48.198
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Al ,Zn 2.628 0
2 Al ,Mg ,Cr 2.628 8
1.9448 3
1.7041 3
1.7041 3
1.7041 3
1.7041 3
1.7041 3
1.9448 3
1.7041 3
3 O 3.264 3
0.306 3
0.306 3
0.306 3
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 9.46 18.92 0.107 71.11 8 199.8 7942.4
2 2 2 0 15.569 31.139 0.174 24.97 12 265.5 7381.8
3 1 1 3 18.345 36.689 0.204 17.48 24 11.0 17.7
4 2 2 2 19.191 38.383 0.213 15.82 8 161.3 1151.1
5 4 0 0 22.308 44.615 0.246 11.3 6 62.2 91.7
6 3 3 1 24.433 48.867 0.268 9.2 24 124.5 1196.1
7 4 2 0 25.112 50.223 0.275 8.64 24 0.0 0.0
8 2 2 4 27.703 55.406 0.302 6.91 24 182.8 1937.8
9 1 1 5 29.544 59.087 0.32 5.98 24 31.5 49.6
10 3 3 3 29.544 59.087 0.32 5.98 8 29.7 14.8
11 4 4 0 32.466 64.933 0.348 4.85 12 289.8 1708.7
12 5 3 1 34.153 68.306 0.364 4.36 48 92.9 631.7
13 4 4 2 34.706 69.412 0.37 4.22 24 1.9 0.1
14 6 2 0 36.882 73.764 0.39 3.74 24 140.1 616.2
15 3 3 5 38.482 76.964 0.404 3.47 24 39.4 45.3
16 2 2 6 39.01 78.021 0.409 3.39 24 120.2 410.8
17 4 4 4 41.106 82.211 0.427 3.13 8 10.7 1.0
18 1 1 7 42.663 85.326 0.44 2.98 24 74.1 137.4
19 5 5 1 42.663 85.326 0.44 2.98 24 73.3 134.3
20 6 4 0 43.18 86.361 0.444 2.94 24 0.0 0.0
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 9.46 18.92 4.68647 7942.4 100.0 100.0 5.6
2 2 2 0 15.569 31.139 2.86986 7381.8 92.9 92.1 5.6
3 2 2 2 19.191 38.383 2.34323 1151.1 14.5 14.3 5.7
4 4 0 0 22.308 44.615 2.0293 91.7 1.2 1.1 5.7
5 3 3 1 24.433 48.867 1.86221 1196.1 15.1 14.7 5.7
6 2 2 4 27.703 55.406 1.65692 1937.8 24.4 23.6 5.8
7 4 4 0 32.466 64.933 1.43493 1708.7 21.5 20.5 5.9
8 5 3 1 34.153 68.306 1.37206 631.7 8.0 7.5 5.9
9 6 2 0 36.882 73.764 1.28344 616.2 7.8 7.3 6.0
10 2 2 6 39.01 78.021 1.22371 410.8 5.2 4.8 6.0
11 1 1 7 42.663 85.326 1.13664 271.7 3.4 3.1 6.1
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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