Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
MAGNETITE
1, high temp., t-spinel invers, f-oxospinelides, sf-spinel, s-magnetite
Fe(3)O(4)
Cubic * Fd3m Z = 8
*Fd3m
20 .10 .1989
Ref.Str.:
Hamilton W.C. (1958)
* Phys. Rev., 110, 1050-1057
Ref.Composition & Lattice:
Author (1967)
* NBS, Monograph 25, Sec.5, 31
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.396 alpha = 90.0
b = 8.396 beta = 90.0
c = 8.396 gamma = 90.0
Unit cell volume (cub. angs.) = 591.86
Molar volume ( cub.cm/mol.) = 44.56
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 0.2548 0.2548 0.2548 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 0.2548 0.2548 0.2548
4 1 0.875 0.875 0.875
5 3 0.7452 0.7452 0.7452
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 0.2452 0.0048 0.5048
13 3 0.4952 0.9952 0.7548
14 3 0.5048 0.2452 0.0048
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 0.7548 0.4952 0.9952
19 3 0.0048 0.5048 0.2452
20 3 0.9952 0.7548 0.4952
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 0.2452 0.5048 0.0048
25 3 0.9952 0.4952 0.7548
26 3 0.0048 0.2452 0.5048
27 3 0.7548 0.9952 0.4952
28 3 0.5048 0.0048 0.2452
29 3 0.4952 0.7548 0.9952
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 0.4952 0.4952 0.2548
40 3 0.0048 0.7452 0.0048
41 3 0.7548 0.2548 0.7548
42 3 0.5048 0.7452 0.5048
43 3 0.7548 0.7548 0.2548
44 3 0.7452 0.0048 0.0048
45 3 0.2548 0.7548 0.7548
46 3 0.7452 0.5048 0.5048
47 3 0.9952 0.9952 0.2548
48 3 0.0048 0.0048 0.7452
49 3 0.4952 0.2548 0.4952
50 3 0.2452 0.7452 0.2452
51 3 0.9952 0.2548 0.9952
52 3 0.2452 0.2452 0.7452
53 3 0.2548 0.4952 0.4952
54 3 0.7452 0.2452 0.2452
55 3 0.2548 0.9952 0.9952
56 3 0.5048 0.5048 0.7452
X-ray density (g/cm cub.) = 5.2
MU (1/cm) = 224.048 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
1.8876 3
1.8876 3
1.8876 3
1.8876 3
2 Fe 2.592 6
2.0595 3
2.0595 3
2.0595 3
2.0595 3
2.0595 3
2.0595 3
3 O 3.264 12
2.9695 3
2.9695 3
2.9695 3
2.9695 3
2.9695 3
2.9695 3
2.8544 3
3.0824 3
2.8544 3
3.0824 3
2.8544 3
3.0824 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 10.633 21.267 0.103 55.83 8 65.6 549.4
2 2 2 0 17.537 35.074 0.168 19.29 12 169.9 1907.8
3 3 1 0 19.688 39.375 0.188 14.95 24 0.0 0.0
4 1 1 3 20.691 41.383 0.198 13.38 24 272.2 6792.3
5 2 2 2 21.657 43.313 0.206 12.08 8 141.7 554.1
6 4 0 0 25.223 50.445 0.238 8.56 6 308.6 1396.0
7 3 3 1 27.67 55.339 0.26 6.93 24 31.1 46.0
8 2 2 4 31.46 62.921 0.292 5.2 24 135.6 654.4
9 1 1 5 33.612 67.224 0.309 4.51 24 238.0 1748.7
10 3 3 3 33.612 67.224 0.309 4.51 8 207.6 443.4
11 4 4 0 37.06 74.12 0.337 3.71 12 489.4 3043.1
12 5 3 0 38.403 76.807 0.347 3.48 24 0.0 0.0
13 5 3 1 39.07 78.139 0.352 3.38 48 40.5 75.9
14 4 4 2 39.733 79.465 0.357 3.29 24 1.6 0.1
15 6 2 0 42.36 84.719 0.377 3.01 24 114.6 270.7
16 3 3 5 44.314 88.628 0.391 2.87 24 191.1 716.7
17 2 2 6 44.964 89.929 0.395 2.83 24 127.9 317.1
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 10.633 21.267 4.84743 549.4 8.1 8.2 5.6
2 2 2 0 17.537 35.074 2.96843 1907.8 28.1 28.3 5.7
3 1 1 3 20.691 41.383 2.53149 6792.3 100.0 100.0 5.7
4 2 2 2 21.657 43.313 2.42372 554.1 8.2 8.1 5.7
5 4 0 0 25.223 50.445 2.099 1396.0 20.6 20.3 5.8
6 2 2 4 31.46 62.921 1.71383 654.4 9.6 9.4 5.9
7 1 1 5 33.612 67.224 1.61581 2192.1 32.3 31.2 5.9
8 4 4 0 37.06 74.12 1.48422 3043.1 44.8 42.7 6.0
9 5 3 1 39.07 78.139 1.41918 75.9 1.1 1.1 6.0
10 6 2 0 42.36 84.719 1.32752 270.7 4.0 3.7 6.1
11 3 3 5 44.314 88.628 1.28038 716.7 10.6 9.7 6.2
12 2 2 6 44.964 89.929 1.26574 317.1 4.7 4.3 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)
|