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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=82639
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Title
Polymorphism and superstructure in Ba Co S2-d.
Authors
Gelabert, M.C.;Brese, N.E.;DiSalvo, F.J.;Jobic, S.;Deniard, P.;Brec, R.
Reference
IC&volume=127&fpage=211&details=yes target=icsd_help>Journal of Solid State Chemistry (1996)
127
, 211-221
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Compound
Ba1 Co1 S2
- Barium cobalt sulfide
[
ABX2
] [
tP8
] [
c3 a
] [
]
Cell
4.568(1), 4.568(1), 8.942(2), 90., 90., 90.
P4/NMMZ (129)
V=186.59
Remarks
R=0.025000 :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
Calculated density unusual but tolerable.
Atom (site) Oxid.
x, y, z, B, Occupancy
Ba1
(2c)
2
Co1
(2c)
2
S1
(2c)
-2
S2
(2a)
-2
0.25
0.25
0.69
0.01
1
0.25
0.25
0.09
0.01
1
0.25
0.25
0.34
0.01
1
0.75
0.25
0
0.03
1
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