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
1, t-spinel, f-oxospinelides, s-magnetite
MnFe(2)O(4)
Cubic F d3m Z = 8
Fd3m
16 .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., B 40, 96-102
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.394 alpha = 90.0
b = 8.394 beta = 90.0
c = 8.394 gamma = 90.0
Unit cell volume (cub. angs.) = 591.43
Molar volume ( cub.cm/mol.) = 44.53
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 Mn = 0.07, Fe = 0.93
2 0.0 0.0 0.0 0.61 Fe = 0.15, Mn = 0.85
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.) = 5.18
MU (1/cm) = 158.66 Mass attenuation coefficient (cm**2/g) = 30.637
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn ,Fe 2.724 6
2.0006 3
2.0006 3
2.0006 3
2.0006 3
2.0006 3
2.0006 3
2 Fe ,Mn 2.724 4
1.9962 3
1.9962 3
1.9962 3
1.9962 3
3 O 3.264 12
2.9749 3
2.9749 3
2.9749 3
2.9749 3
2.6757 3
3.2598 3
2.6757 3
2.6757 3
2.9749 3
3.2598 3
3.2598 3
2.9749 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 10.636 21.272 0.103 55.81 8 85.8 940.1
2 2 2 0 17.541 35.083 0.168 19.28 12 163.8 1774.7
3 1 1 3 20.696 41.393 0.198 13.38 24 256.3 6029.2
4 2 2 2 21.662 43.324 0.206 12.08 8 144.4 576.2
5 4 0 0 25.229 50.458 0.238 8.55 6 296.2 1287.0
6 3 3 1 27.677 55.353 0.26 6.93 24 19.1 17.3
7 4 2 0 28.46 56.92 0.266 6.5 24 0.0 0.0
8 2 2 4 31.469 62.937 0.292 5.19 24 120.2 514.8
9 1 1 5 33.621 67.242 0.31 4.5 24 238.2 1752.6
10 3 3 3 33.621 67.242 0.31 4.5 8 168.9 293.7
11 4 4 0 37.07 74.14 0.337 3.71 12 440.1 2463.6
12 5 3 1 39.081 78.161 0.352 3.38 48 47.9 106.2
13 4 4 2 39.744 79.488 0.357 3.29 24 9.0 1.8
14 6 2 0 42.372 84.744 0.377 3.01 24 94.6 184.5
15 3 3 5 44.327 88.655 0.391 2.86 24 170.4 570.9
16 2 2 6 44.978 89.956 0.395 2.83 24 129.3 324.7
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 10.636 21.272 4.84628 940.1 15.6 15.9 5.6
2 2 2 0 17.541 35.083 2.96773 1774.7 29.4 29.6 5.7
3 1 1 3 20.696 41.393 2.53089 6029.2 100.0 100.0 5.7
4 2 2 2 21.662 43.324 2.42314 576.2 9.6 9.5 5.7
5 4 0 0 25.229 50.458 2.0985 1287.0 21.3 21.1 5.8
6 2 2 4 31.469 62.937 1.71342 514.8 8.5 8.3 5.9
7 1 1 5 33.621 67.242 1.61543 2046.3 33.9 32.8 5.9
8 4 4 0 37.07 74.14 1.48386 2463.6 40.9 39.0 6.0
9 5 3 1 39.081 78.161 1.41884 106.2 1.8 1.7 6.0
10 6 2 0 42.372 84.744 1.32721 184.5 3.1 2.9 6.1
11 3 3 5 44.327 88.655 1.28007 570.9 9.5 8.7 6.2
12 2 2 6 44.978 89.956 1.26544 324.7 5.4 4.9 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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