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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FRANKLINITE
18, t-spinel, syn, g-franklinite
[Zn(02)Fe(0.8)][Co(0.8)Fe(1.2)]O(4)
Cubic F d3m Z = 8
Fd3m
31 .7 .23
Ref.Str.:
Taju Ahmed (2022)
* Personal communication to COD
L: $Co0.8 Fe3+1.9 La0.1 Zn0.2 O4$
R: In original - Cobalt Zinc Ferrite. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.443 alpha = 90.0
b = 8.443 beta = 90.0
c = 8.443 gamma = 90.0
Unit cell volume (cub. angs.) = 601.85
Molar volume ( cub.cm/mol.) = 45.31
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 Fe = 0.8 , Zn = 0.2
2 0.625 0.625 0.625 0.0 Fe = 0.6 , Co = 0.4
3 0.38 0.38 0.38 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 0.38 0.38 0.38
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 0.37 0.13 0.63
11 3 0.62 0.12 0.88
12 3 0.63 0.37 0.13
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 0.37 0.63 0.13
19 3 0.12 0.62 0.88
20 3 0.13 0.37 0.63
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 0.62 0.62 0.38
33 3 0.13 0.87 0.13
34 3 0.88 0.38 0.88
35 3 0.63 0.87 0.63
36 3 0.88 0.88 0.38
37 3 0.87 0.13 0.13
38 3 0.38 0.88 0.88
39 3 0.87 0.63 0.63
40 3 0.12 0.12 0.38
41 3 0.38 0.62 0.62
42 3 0.62 0.38 0.62
43 3 0.13 0.63 0.37
44 3 0.87 0.37 0.37
45 3 0.12 0.38 0.12
46 3 0.88 0.62 0.12
47 3 0.37 0.37 0.87
48 3 0.63 0.63 0.87
49 3 0.62 0.88 0.12
50 3 0.38 0.12 0.12
51 3 0.37 0.87 0.37
52 3 0.63 0.13 0.37
53 3 0.87 0.87 0.87
54 3 0.13 0.13 0.87
55 3 0.88 0.12 0.62
56 3 0.12 0.88 0.62
X-ray density (g/cm cub.) = 5.21
MU (1/cm) = 218.825 Mass attenuation coefficient (cm**2/g) = 42.038
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe ,Zn 2.628 4
1.9011 3
1.9011 3
1.9011 3
1.9011 3
2 Fe ,Co 2.592 6
2.0694 3
2.0694 3
2.0694 3
2.0694 3
2.0694 3
2.0694 3
3 O 3.264 12
2.9862 3
2.9862 3
2.9862 3
2.9862 3
2.8656 3
3.1045 3
2.8656 3
2.8656 3
2.9862 3
3.1045 3
3.1045 3
2.9862 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 10.573 21.147 0.103 56.49 8 64.7 522.8
2 2 2 0 17.436 34.873 0.168 19.53 12 177.1 2029.5
3 1 1 3 20.571 41.142 0.196 13.56 24 280.7 7078.3
4 2 2 2 21.53 43.06 0.205 12.24 8 148.5 596.0
5 4 0 0 25.072 50.145 0.237 8.67 6 309.4 1375.7
6 3 3 1 27.502 55.005 0.258 7.03 24 29.3 39.9
7 4 2 0 28.28 56.56 0.265 6.59 24 0.0 0.0
8 2 2 4 31.265 62.531 0.29 5.27 24 142.4 707.5
9 1 1 5 33.4 66.801 0.308 4.57 24 246.9 1844.6
10 3 3 3 33.4 66.801 0.308 4.57 8 215.1 466.5
11 4 4 0 36.819 73.639 0.335 3.75 12 503.4 3152.1
12 5 3 1 38.811 77.622 0.35 3.42 48 39.5 70.6
13 4 4 2 39.468 78.936 0.355 3.32 24 1.7 0.1
14 6 2 0 42.069 84.139 0.375 3.03 24 120.9 293.7
15 3 3 5 44.003 88.007 0.388 2.88 24 198.7 754.4
16 2 2 6 44.647 89.293 0.393 2.85 24 133.9 338.0
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 10.573 21.147 4.87457 522.8 7.4 7.5 5.6
2 2 2 0 17.436 34.873 2.98505 2029.5 28.7 28.8 5.7
3 1 1 3 20.571 41.142 2.54566 7078.3 100.0 100.0 5.7
4 2 2 2 21.53 43.06 2.43728 596.0 8.4 8.4 5.7
5 4 0 0 25.072 50.145 2.11075 1375.7 19.4 19.2 5.7
6 2 2 4 31.265 62.531 1.72342 707.5 10.0 9.7 5.8
7 1 1 5 33.4 66.801 1.62486 2311.0 32.6 31.6 5.9
8 4 4 0 36.819 73.639 1.49253 3152.1 44.5 42.5 6.0
9 6 2 0 42.069 84.139 1.33496 293.7 4.1 3.9 6.1
10 3 3 5 44.003 88.007 1.28755 754.4 10.7 9.8 6.2
11 2 2 6 44.647 89.293 1.27283 338.0 4.8 4.4 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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