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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=91891 Help
TitleCompression of witherite to 8 GPa and the crystal structure of Ba CO3 II.
AuthorsHoll, C.M.;Smyth, J.R.;Laustsen, H.M.S.;Jacobsen, S.D.;Downs, R.T.
ReferencePhysics and Chemistry of Minerals (2000) 27, 467-473
Link XRef SCOPUS SCIRUS Google
CompoundC1 Ba1 O3 - [Witherite] Barium carbonate [ABX3] [oP20] [d c3] []
Cell5.282(1), 8.843(2), 6.148(1), 90., 90., 90.
PMCN (62) V=287.17
RemarksR=0.028000 : PRE =2950 : MIN =Witherite :

Atom (site) Oxid. x, y, z, B, Occupancy
Ba1(4c)2
C1(4c)4
O1(4c)-2
O2(8d)-2
0.250.4165(4)0.7554(6)0.012(1)1
0.250.765(8)0.904(9)0.012(10)1
0.250.904(4)0.897(7)0.022(7)1
0.459(2)0.684(3)0.911(4)0.014(5)1

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