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ICSD for WWW : Details

ICSD for WWW

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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=35005 Help
TitleHigh-pressure and high-temperature polymorphism of iron sulfide.
AuthorsKing, H.E.jr.;Prewitt, C.T.
ReferenceActa Crystallographica B (1982) 38, 1877-1887
Link XRef SCOPUS SCIRUS Google
CompoundFe1 S1 - [Troilite 2H] Iron sulfide [AX] [hP24] [i h f a] []
Cell5.963(1), 5.963(1), 11.754(1), 90., 90., 120.
P6-2C (190) V=361.95
RemarksMIN =Troilite 2H : PDF =37-477 : PRE =0.1 : TEM =294 :
No R value given in the paper.
Nickeline structure type
PDF 37-477, transforms above 420 K into the MnP-type (Pnma)

Atom (site) Oxid. x, y, z, B, Occupancy
Fe1(12i)2
S1(2a)-2
S2(4f)-2
S3(6h)-2
0.3787(2)0.0553(2)0.12300(9)01
00001
0.33330.66670.0208(2)01
0.6648(6)-.0041(4)0.2501
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Fe1(12i)2
S1(2a)-2
S2(4f)-2
S3(6h)-2
0.0128(4)0.01111(4)0.00086(4)0.0064(3)-.0001(2)-.0002(2)
0.008(1)0.008(1)0.0011(2)0.004(1)00
0.0089(7)0.0089(7)0.0008(2)0.0044(4)00
0.0084(9)0.0079(10)0.0011(1)0.0039(8)00

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