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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MAGNETITE
13, t-spinel invers, at 1073'K, f-oxospinelides, sf-spinel, s-magnetite
Fe(3)O(4)
Cubic * Fd3m Z = 8
R =0.0241
26 .10 .15
Ref.Str.:
Levy D., Giustello R., Hoser A. (2012)
* Phys. Chem. Minerals, 39, 169-176
R: Locality – Brosso mining area in Ivrea, Italy. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.4937 alpha = 90.0
b = 8.4937 beta = 90.0
c = 8.4937 gamma = 90.0
Unit cell volume (cub. angs.) = 612.76
Molar volume ( cub.cm/mol.) = 46.14
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 = 1.00
3 0.2571 0.2571 0.2571 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 0.2571 0.2571 0.2571
4 1 0.875 0.875 0.875
5 3 0.7429 0.7429 0.7429
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 0.2429 0.0071 0.5071
13 3 0.4929 0.9929 0.7571
14 3 0.5071 0.2429 0.0071
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 0.7571 0.4929 0.9929
19 3 0.0071 0.5071 0.2429
20 3 0.9929 0.7571 0.4929
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 0.2429 0.5071 0.0071
25 3 0.9929 0.4929 0.7571
26 3 0.0071 0.2429 0.5071
27 3 0.7571 0.9929 0.4929
28 3 0.5071 0.0071 0.2429
29 3 0.4929 0.7571 0.9929
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 0.4929 0.4929 0.2571
40 3 0.0071 0.7429 0.0071
41 3 0.7571 0.2571 0.7571
42 3 0.5071 0.7429 0.5071
43 3 0.7571 0.7571 0.2571
44 3 0.7429 0.0071 0.0071
45 3 0.2571 0.7571 0.7571
46 3 0.7429 0.5071 0.5071
47 3 0.9929 0.9929 0.2571
48 3 0.0071 0.0071 0.7429
49 3 0.4929 0.2571 0.4929
50 3 0.2429 0.7429 0.2429
51 3 0.9929 0.2571 0.9929
52 3 0.2429 0.2429 0.7429
53 3 0.2571 0.4929 0.4929
54 3 0.7429 0.2429 0.2429
55 3 0.2571 0.9929 0.9929
56 3 0.5071 0.5071 0.7429
X-ray density (g/cm cub.) = 5.02
MU (1/cm) = 216.405 Mass attenuation coefficient (cm**2/g) = 43.126
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 4
1.9434 3
1.9434 3
1.9434 3
1.9434 3
2 Fe 2.592 6
2.0649 3
2.0649 3
2.0649 3
2.0649 3
2.0649 3
2.0649 3
3 O 3.264 12
3.0054 3
3.0054 3
3.0054 3
3.0054 3
3.0054 3
3.0054 3
2.8324 3
3.1735 3
2.8324 3
3.1735 3
2.8324 3
3.1735 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 10.51 21.019 0.102 57.21 8 70.8 610.2
2 2 2 0 17.329 34.658 0.167 19.8 12 171.3 1857.4
3 3 1 0 19.452 38.904 0.186 15.35 24 0.0 0.0
4 1 1 3 20.443 40.885 0.195 13.75 24 271.9 6495.9
5 2 2 2 21.395 42.791 0.204 12.42 8 142.9 540.1
6 4 0 0 24.913 49.825 0.235 8.8 6 309.4 1345.9
7 3 3 1 27.325 54.649 0.257 7.13 24 26.0 30.8
8 2 2 4 31.058 62.116 0.288 5.35 24 135.9 630.7
9 1 1 5 33.175 66.35 0.306 4.63 24 246.0 1791.6
10 3 3 3 33.175 66.35 0.306 4.63 8 200.8 398.0
11 4 4 0 36.564 73.127 0.333 3.8 12 491.6 2938.0
12 5 3 0 37.883 75.766 0.343 3.56 24 0.0 0.0
13 5 3 1 38.537 77.073 0.348 3.46 48 43.1 82.3
14 4 4 2 39.187 78.374 0.353 3.36 24 3.5 0.3
15 6 2 0 41.761 83.523 0.372 3.06 24 114.3 255.4
16 3 3 5 43.674 87.348 0.386 2.91 24 192.3 686.4
17 2 2 6 44.31 88.62 0.39 2.87 24 130.9 313.7
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 10.51 21.019 4.90384 610.2 9.4 9.6 5.6
2 2 2 0 17.329 34.658 3.00298 1857.4 28.6 28.8 5.7
3 1 1 3 20.443 40.885 2.56095 6495.9 100.0 100.0 5.7
4 2 2 2 21.395 42.791 2.45192 540.1 8.3 8.3 5.7
5 4 0 0 24.913 49.825 2.12343 1345.9 20.7 20.5 5.7
6 2 2 4 31.058 62.116 1.73377 630.7 9.7 9.5 5.8
7 1 1 5 33.175 66.35 1.63461 2189.6 33.7 32.6 5.9
8 4 4 0 36.564 73.127 1.50149 2938.0 45.2 43.2 6.0
9 5 3 1 38.537 77.073 1.4357 82.3 1.3 1.2 6.0
10 6 2 0 41.761 83.523 1.34297 255.4 3.9 3.7 6.1
11 3 3 5 43.674 87.348 1.29528 686.4 10.6 9.8 6.2
12 2 2 6 44.31 88.62 1.28047 313.7 4.8 4.5 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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