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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CHIHMINGITE
2, t-spinel, f-oxospinelides, sf-spinel, s-spinel
NiAl(2)O(4)
Cubic * Fd3m Z = 8
*Fd3m
22 .6 .23
Ref.Str.:
Hwang S.-L., Shen P., Yui T.-F., Chu H.-T., Iizuka Y.,
Schertl H.-P., Spengler D. (2022)
* Eur. J. Mineral., 34, doi.org/10.5194/ejm-34-359-2022
R: IMA2022-010. Locality - Uglvik peridotite body, Uglvik,
Otroya, Midsund, Molde, More og Romsdal, Norway. The coordinates
of atoms are from synthetic CHIHMINGITE [1]. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.059 alpha = 90.0
b = 8.059 beta = 90.0
c = 8.059 gamma = 90.0
Unit cell volume (cub. angs.) = 523.41
Molar volume ( cub.cm/mol.) = 39.41
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 Al = 0.87, Ni = 0.13
2 0.5 0.5 0.5 0.0 Al = 0.56, Ni = 0.44
3 0.2549 0.2549 0.2549 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 0.2549 0.2549 0.2549
4 1 0.875 0.875 0.875
5 3 0.7451 0.7451 0.7451
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 0.2451 0.0049 0.5049
13 3 0.4951 0.9951 0.7549
14 3 0.5049 0.2451 0.0049
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 0.7549 0.4951 0.9951
19 3 0.0049 0.5049 0.2451
20 3 0.9951 0.7549 0.4951
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 0.2451 0.5049 0.0049
25 3 0.9951 0.4951 0.7549
26 3 0.0049 0.2451 0.5049
27 3 0.7549 0.9951 0.4951
28 3 0.5049 0.0049 0.2451
29 3 0.4951 0.7549 0.9951
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 0.4951 0.4951 0.2549
40 3 0.0049 0.7451 0.0049
41 3 0.7549 0.2549 0.7549
42 3 0.5049 0.7451 0.5049
43 3 0.7549 0.7549 0.2549
44 3 0.7451 0.0049 0.0049
45 3 0.2549 0.7549 0.7549
46 3 0.7451 0.5049 0.5049
47 3 0.9951 0.9951 0.2549
48 3 0.0049 0.0049 0.7451
49 3 0.4951 0.2549 0.4951
50 3 0.2451 0.7451 0.2451
51 3 0.9951 0.2549 0.9951
52 3 0.2451 0.2451 0.7451
53 3 0.2549 0.4951 0.4951
54 3 0.7451 0.2451 0.2451
55 3 0.2549 0.9951 0.9951
56 3 0.5049 0.5049 0.7451
X-ray density (g/cm cub.) = 4.48
MU (1/cm) = 236.311 Mass attenuation coefficient (cm**2/g) = 52.722
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Al ,Ni 2.52 4
1.8132 3
1.8132 3
1.8132 3
1.8132 3
2 Al ,Ni 2.52 6
1.9761 3
1.9761 3
1.9761 3
1.9761 3
1.9761 3
1.9761 3
3 O 3.264 12
2.8504 3
2.8504 3
2.8504 3
2.8504 3
2.8504 3
2.8504 3
2.7376 3
2.961 3
2.7376 3
2.961 3
2.7376 3
2.961 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 11.083 22.167 0.107 51.22 8 76.2 869.1
2 2 2 0 18.296 36.592 0.175 17.58 12 91.3 641.1
3 3 1 0 20.547 41.094 0.196 13.59 24 0.0 0.0
4 1 1 3 21.599 43.198 0.206 12.16 24 175.4 3276.5
5 2 2 2 22.611 45.223 0.215 10.96 8 60.3 116.5
6 4 0 0 26.357 52.713 0.248 7.74 6 292.4 1449.2
7 3 3 1 28.933 57.866 0.27 6.26 24 39.8 86.8
8 2 2 4 32.938 65.876 0.304 4.7 24 73.3 221.4
9 1 1 5 35.22 70.44 0.322 4.09 24 160.7 925.8
10 3 3 3 35.22 70.44 0.322 4.09 8 130.9 204.8
11 4 4 0 38.892 77.783 0.351 3.41 12 362.8 1963.6
12 5 3 0 40.329 80.657 0.362 3.21 24 0.0 0.0
13 5 3 1 41.043 82.085 0.367 3.13 48 47.4 123.4
14 4 4 2 41.754 83.508 0.372 3.06 24 1.6 0.1
15 6 2 0 44.584 89.168 0.392 2.85 24 62.9 98.9
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 11.083 22.167 4.65287 869.1 26.5 27.0 5.6
2 2 2 0 18.296 36.592 2.84929 641.1 19.6 19.7 5.7
3 1 1 3 21.599 43.198 2.42988 3276.5 100.0 100.0 5.7
4 2 2 2 22.611 45.223 2.32643 116.5 3.6 3.5 5.7
5 4 0 0 26.357 52.713 2.01475 1449.2 44.2 43.7 5.8
6 3 3 1 28.933 57.866 1.84886 86.8 2.6 2.6 5.8
7 2 2 4 32.938 65.876 1.64504 221.4 6.8 6.6 5.9
8 1 1 5 35.22 70.44 1.55096 1130.6 34.5 33.2 5.9
9 4 4 0 38.892 77.783 1.42464 1963.6 59.9 56.8 6.0
10 5 3 1 41.043 82.085 1.36222 123.4 3.8 3.5 6.1
11 6 2 0 44.584 89.168 1.27424 98.9 3.0 2.8 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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