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ICSD for WWW : Details

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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=71939 Help
TitleSynthesis, structure and properties of Ba6Co25S27: a perovskite-like superstructure of Co8S6 and Ba6S clusters.
AuthorsSnyder, G.J.;Badding, M.E.;DiSalvo, F.J.
ReferenceInorganic Chemistry (1992) 31, 2107-2110
Link XRef SCOPUS SCIRUS Google
CompoundBa6 Co25 S27 - Barium cobalt sulfide (6/25/27) [A6B25X27] [cP58] [m h g f e b a] []
Cell10.033(3), 10.033(3), 10.033(3), 90., 90., 90.
PM3-M (221) V=1009.93
RemarksR=0.026000 :
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(6f)2
Co1(24m)1.68
Co2(1a)1.68
S1(1b)-2
S2(6e)-2
S3(8g)-2
S4(12h)-2
0.50.50.19603(6)01
0.13220(5)0.36218(7)0.13220(5)01
00001
0.50.50.501
00.2361(2)001
0.2767(1)0.2767(1)0.2767(1)01
00.50.2462(2)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ba1(6f)2
Co1(24m)1.68
Co2(1a)1.68
S1(1b)-2
S2(6e)-2
S3(8g)-2
S4(12h)-2
0.017(1)0.017(1)0.012(1)000
0.014(1)0.018(1)0.014(1)-.001(1)0.000(1)-.001(1)
0.012(1)0.012(1)0.012(1)000
0.015(1)0.015(1)0.015(1)000
0.014(1)0.012(1)0.014(1)000.16(1)
0.016(1)0.016(1)0.016(1)0.003(1)0.003(1)0.003(1)
0.015(1)0.015(1)0.012(1)000

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