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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=71018 Help
TitleCrystal structure refinements of synthetic chalcocyanite (Cu S O4) and zincosite (Zn S O4).
AuthorsWildner, M.;Giester, G.
ReferenceMineralogy and Petrology (1988) 39, 201-209
Link XRef SCOPUS SCIRUS Google
Also: Zeitschrift fuer Anorganische und Allgemeine Chemie (1979) 455, 16-28
Link XRef SCOPUS SCIRUS Google
CompoundO4 S1 Zn1 - [Zinkosite] Zinc sulfate(VI) [ABX4] [oP24] [d c3 a] []
Cell8.604(5), 6.746(5), 4.774(3), 90., 90., 90.
PNMA (62) V=277.1
RemarksR=0.037000 : MIN =Zinkosite : PDF =8-491 :
Calculated density unusual but tolerable.
Cell of HT-Cd S O4: 8.901, 7.346, 4.836 (2nd ref., Spiess & Gruen), supercell has 2a, stable from 1062-1130 K
PDF 8-491, hygroscopic

Atom (site) Oxid. x, y, z, B, Occupancy
Zn1(4a)2
S1(4c)6
O1(4c)-2
O2(4c)-2
O3(8d)-2
00001
0.18029(7)0.250.46659(13)01
0.1279(2)0.250.7622(4)01
0.3545(2)0.250.4522(4)01
0.1267(2)0.0689(2)0.3295(3)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Zn1(4a)2
S1(4c)6
O1(4c)-2
O2(4c)-2
O3(8d)-2
0.0247(2)0.0218(2)0.0271(2)0.0110(1)-0.0164(1)-0.0132(1)
0.0082(2)0.0114(2)0.0080(2)0-0.0007(2)0
0.0165(8)0.0187(8)0.0090(7)00.0023(6)0
0.0085(7)0.0140(8)0.0155(8)00.0008(6)0
0.0158(5)0.0141(5)0.0132(5)-0.0020(5)-0.0030(5)-0.0023(5)

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