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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=77082 Help
TitleAnharmonic temperature factors and charge density in Zn S.
AuthorsRabadanov, M.Kh.
ReferenceKristallografiya (1995) 40, 21-27
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CompoundS1 Zn1 - [Sphalerite] Zinc sulfide [AX] [cF8] [c a] [ZnS(cF8)]
Cell5.409, 5.409, 5.409, 90., 90., 90.
F4-3M (216) V=158.25
RemarksR=0.014300 : A M =Sphalerite : P =5-566 : T =295 : =ZnS(cF8) :
B-values at 423 K: 1.869, 1.325; at 573 K: 2.653, 1.875, R=0.01
B-values at 723 K: 3.378, 2.350, R=0.0246, R(anharmonic)=0.0210
R(anharmonic)=0.0141

Atom (site) Oxid. x, y, z, B, Occupancy
Zn1(4a)2
S1(4c)-2
0001.231
0.250.250.250.861

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