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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.
ReferenceIC&volume=38&fpage=187&details=yes target=icsd_help>Acta Crystallographica B (1982) 38, 187-188
Link XRef SCOPUS 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
RemarksM =Troilite 2H : P =37-477 : =0.1 : =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
0.370.050.1201
00001
0.330.660.0201
0.66-.000.2501
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Fe1(12i)2
S1(2a)-2
S2(4f)-2
S3(6h)-2
0.010.010.000.00-.00-.00
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000

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