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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=75515 Help
TitleRefined structure and properties of the layered Mott insulator Ba Co S2.
AuthorsSnyder, G.J.;Gelabert, M.C.;DiSalvo, F.J.
ReferenceIC&volume=113&fpage=355&details=yes target=icsd_help>Journal of Solid State Chemistry (1994) 113, 355-361
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CompoundBa1 Co1 S2 - Barium cobalt sulfide [ABX2] [oS16] [g3 b] []
Cell6.4413(3), 6.4926(3), 8.9406(3), 90., 90., 90.
CMMA (67) V=373.9
RemarksR=0.045000 :
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.

Atom (site) Oxid. x, y, z, B, Occupancy
Ba1(4g)2
Co1(4g)2
S1(4g)-2
S2(4b)-2
00.250.1901
00.250.5901
00.250.8401
0.250.50.501
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ba1(4g)2
Co1(4g)2
S1(4g)-2
S2(4b)-2
0.010.010.01000
0.020.010.01000
0.020.000.01000
0.010.060.01000

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