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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JACOBSITE
5, t-spinel, syn, f-oxospinelides, sf-spinel, s-magnetite
MnFe(2)O(4)
Cubic F d3m Z = 8
Fd3m
27 .3 .17
Ref.Str.:
Passerini L. (1930)
* Gazzetta Chimica Italiana, 60, 389-399
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.515 alpha = 90.0
b = 8.515 beta = 90.0
c = 8.515 gamma = 90.0
Unit cell volume (cub. angs.) = 617.38
Molar volume ( cub.cm/mol.) = 46.48
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Mn = 1.00
2 0.625 0.625 0.625 0.0 Fe = 1.00
3 0.375 0.375 0.375 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.625 0.625 0.625
3 3 0.375 0.375 0.375
4 1 0.75 0.75 0.25
5 1 0.0 0.5 0.5
6 1 0.25 0.75 0.75
7 2 0.125 0.375 0.875
8 2 0.375 0.875 0.125
9 2 0.875 0.125 0.375
10 3 0.375 0.125 0.625
11 3 0.625 0.125 0.875
12 3 0.625 0.375 0.125
13 1 0.75 0.25 0.75
14 1 0.5 0.0 0.5
15 2 0.125 0.875 0.375
16 2 0.875 0.375 0.125
17 2 0.375 0.125 0.875
18 3 0.375 0.625 0.125
19 3 0.125 0.625 0.875
20 3 0.125 0.375 0.625
21 1 0.25 0.25 0.25
22 1 0.5 0.5 0.0
23 2 0.375 0.375 0.625
24 2 0.375 0.625 0.375
25 2 0.125 0.625 0.125
26 2 0.875 0.625 0.875
27 2 0.125 0.125 0.625
28 2 0.625 0.375 0.375
29 2 0.625 0.125 0.125
30 2 0.625 0.875 0.875
31 2 0.875 0.875 0.625
32 3 0.625 0.625 0.375
33 3 0.125 0.875 0.125
34 3 0.875 0.375 0.875
35 3 0.625 0.875 0.625
36 3 0.875 0.875 0.375
37 3 0.875 0.125 0.125
38 3 0.375 0.875 0.875
39 3 0.875 0.625 0.625
40 3 0.125 0.125 0.375
41 3 0.375 0.625 0.625
42 3 0.625 0.375 0.625
43 3 0.125 0.625 0.375
44 3 0.875 0.375 0.375
45 3 0.125 0.375 0.125
46 3 0.875 0.625 0.125
47 3 0.375 0.375 0.875
48 3 0.625 0.625 0.875
49 3 0.625 0.875 0.125
50 3 0.375 0.125 0.125
51 3 0.375 0.875 0.375
52 3 0.625 0.125 0.375
53 3 0.875 0.875 0.875
54 3 0.125 0.125 0.875
55 3 0.875 0.125 0.625
56 3 0.125 0.875 0.625
X-ray density (g/cm cub.) = 4.96
MU (1/cm) = 151.358 Mass attenuation coefficient (cm**2/g) = 30.51
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn 2.724 4
1.8436 3
1.8436 3
1.8436 3
1.8436 3
2 Fe 2.592 6
2.1288 3
2.1288 3
2.1288 3
2.1288 3
2.1288 3
2.1288 3
3 O 3.264 12
3.0105 3
3.0105 3
3.0105 3
3.0105 3
3.0105 3
3.0105 3
3.0105 3
3.0105 3
3.0105 3
3.0105 3
3.0105 3
3.0105 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 10.483 20.966 0.102 57.51 8 61.4 455.1
2 2 2 0 17.284 34.569 0.166 19.91 12 161.4 1633.7
3 1 1 3 20.389 40.778 0.195 13.83 24 270.4 6365.5
4 2 2 2 21.339 42.678 0.203 12.49 8 140.8 519.5
5 4 0 0 24.846 49.692 0.235 8.85 6 320.4 1430.9
6 3 3 1 27.25 54.501 0.256 7.17 24 48.1 104.7
7 4 2 0 28.02 56.04 0.263 6.73 24 0.0 0.0
8 2 2 4 30.972 61.943 0.288 5.38 24 129.5 567.6
9 1 1 5 33.081 66.163 0.305 4.66 24 221.2 1436.1
10 3 3 3 33.081 66.163 0.305 4.66 8 221.2 478.7
11 4 4 0 36.457 72.915 0.332 3.83 12 489.0 2879.4
12 5 3 1 38.423 76.845 0.347 3.48 48 40.9 73.1
13 4 4 2 39.07 78.14 0.352 3.38 24 0.0 0.0
14 6 2 0 41.634 83.267 0.371 3.07 24 110.1 234.6
15 3 3 5 43.537 87.075 0.385 2.91 24 189.7 660.8
16 2 2 6 44.17 88.34 0.39 2.87 24 126.7 290.6
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 10.483 20.966 4.91614 455.1 7.1 7.3 5.6
2 2 2 0 17.284 34.569 3.01051 1633.7 25.7 25.8 5.7
3 1 1 3 20.389 40.778 2.56737 6365.5 100.0 100.0 5.7
4 2 2 2 21.339 42.678 2.45807 519.5 8.2 8.1 5.7
5 4 0 0 24.846 49.692 2.12875 1430.9 22.5 22.3 5.7
6 3 3 1 27.25 54.501 1.95348 104.7 1.6 1.6 5.8
7 2 2 4 30.972 61.943 1.73812 567.6 8.9 8.7 5.8
8 1 1 5 33.081 66.163 1.63871 1914.8 30.1 29.1 5.9
9 4 4 0 36.457 72.915 1.50525 2879.4 45.2 43.2 6.0
10 5 3 1 38.423 76.845 1.4393 73.1 1.1 1.1 6.0
11 6 2 0 41.634 83.267 1.34634 234.6 3.7 3.4 6.1
12 3 3 5 43.537 87.075 1.29853 660.8 10.4 9.6 6.1
13 2 2 6 44.17 88.34 1.28368 290.6 4.6 4.2 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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