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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JACOBSITE
2, t-spinel, f-oxospinelides, sf-spinel, s-magnetite
(Mn,Mg,Fe)(Al,Fe,Mn)(2)O(4)
Cubic * Fd3m Z = 8
*Fd3m
27 .3 .17
Ref.Str.:
Lucchesi S., Russo U., Della Giusta A. (1997)
* Eur. J. Mineral., 9, 31-42
L: $Mg0.736 Mn0.284 Fe1.911 Zn0.017 Al0.049 O4$
R: Sample JBS1. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.4075 alpha = 90.0
b = 8.4075 beta = 90.0
c = 8.4075 gamma = 90.0
Unit cell volume (cub. angs.) = 594.29
Molar volume ( cub.cm/mol.) = 44.75
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 Mn = 0.24, Fe = 0.69, Mg = 0.07
2 0.5 0.5 0.5 0.0 Fe = 0.61, Mg = 0.34, Mn = 0.05
3 0.2576 0.2576 0.2576 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 0.2576 0.2576 0.2576
4 1 0.875 0.875 0.875
5 3 0.7424 0.7424 0.7424
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 0.2424 0.0076 0.5076
13 3 0.4924 0.9924 0.7576
14 3 0.5076 0.2424 0.0076
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 0.7576 0.4924 0.9924
19 3 0.0076 0.5076 0.2424
20 3 0.9924 0.7576 0.4924
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 0.2424 0.5076 0.0076
25 3 0.9924 0.4924 0.7576
26 3 0.0076 0.2424 0.5076
27 3 0.7576 0.9924 0.4924
28 3 0.5076 0.0076 0.2424
29 3 0.4924 0.7576 0.9924
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 0.4924 0.4924 0.2576
40 3 0.0076 0.7424 0.0076
41 3 0.7576 0.2576 0.7576
42 3 0.5076 0.7424 0.5076
43 3 0.7576 0.7576 0.2576
44 3 0.7424 0.0076 0.0076
45 3 0.2576 0.7576 0.7576
46 3 0.7424 0.5076 0.5076
47 3 0.9924 0.9924 0.2576
48 3 0.0076 0.0076 0.7424
49 3 0.4924 0.2576 0.4924
50 3 0.2424 0.7424 0.2424
51 3 0.9924 0.2576 0.9924
52 3 0.2424 0.2424 0.7424
53 3 0.2576 0.4924 0.4924
54 3 0.7424 0.2424 0.2424
55 3 0.2576 0.9924 0.9924
56 3 0.5076 0.5076 0.7424
X-ray density (g/cm cub.) = 4.64
MU (1/cm) = 175.747 Mass attenuation coefficient (cm**2/g) = 37.881
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn ,Fe ,Mg 2.724 4
1.9315 3
1.9315 3
1.9315 3
1.9315 3
2 Fe ,Mg ,Mn 2.724 6
2.0397 3
2.0397 3
2.0397 3
2.0397 3
2.0397 3
2.0397 3
3 O 3.264 12
2.9753 3
2.9753 3
2.9753 3
2.9753 3
2.9753 3
2.9753 3
2.7908 3
3.1542 3
2.7908 3
3.1542 3
2.7908 3
3.1542 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 10.619 21.237 0.103 56.0 8 42.8 232.4
2 2 2 0 17.512 35.025 0.168 19.35 12 162.0 1725.5
3 3 1 0 19.659 39.319 0.188 15.0 24 0.0 0.0
4 1 1 3 20.662 41.323 0.197 13.43 24 233.4 4969.6
5 2 2 2 21.626 43.251 0.206 12.12 8 82.0 184.4
6 4 0 0 25.186 50.371 0.238 8.58 6 257.6 967.9
7 3 3 1 27.628 55.257 0.259 6.95 24 2.6 0.3
8 2 2 4 31.412 62.825 0.291 5.21 24 127.6 576.5
9 1 1 5 33.56 67.12 0.309 4.52 24 215.8 1431.0
10 3 3 3 33.56 67.12 0.309 4.52 8 167.8 288.4
11 4 4 0 37.001 74.001 0.336 3.72 12 433.2 2371.9
12 5 3 0 38.341 76.683 0.347 3.49 24 0.0 0.0
13 5 3 1 39.006 78.012 0.352 3.39 48 25.1 28.9
14 4 4 2 39.667 79.335 0.357 3.3 24 4.0 0.4
15 6 2 0 42.288 84.576 0.376 3.01 24 106.7 233.2
16 3 3 5 44.238 88.475 0.39 2.87 24 165.0 531.1
17 2 2 6 44.886 89.772 0.394 2.83 24 88.6 151.0
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 10.619 21.237 4.85407 232.4 4.7 4.8 5.6
2 2 2 0 17.512 35.025 2.9725 1725.5 34.7 34.9 5.7
3 1 1 3 20.662 41.323 2.53496 4969.6 100.0 100.0 5.7
4 2 2 2 21.626 43.251 2.42704 184.4 3.7 3.7 5.7
5 4 0 0 25.186 50.371 2.10188 967.9 19.5 19.3 5.8
6 2 2 4 31.412 62.825 1.71617 576.5 11.6 11.3 5.9
7 1 1 5 33.56 67.12 1.61802 1719.4 34.6 33.4 5.9
8 4 4 0 37.001 74.001 1.48625 2371.9 47.7 45.5 6.0
9 6 2 0 42.288 84.576 1.32934 233.2 4.7 4.4 6.1
10 3 3 5 44.238 88.475 1.28213 531.1 10.7 9.9 6.2
11 2 2 6 44.886 89.772 1.26748 151.0 3.0 2.8 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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