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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=51291 Help
TitleElectronic structure of A Ru O3 (A = Ca, Sr and Ba) compounds.
AuthorsRama Rao, M.V.;Sathe, V.G.;Sornadurai, D.;Panigrahi, B.;Shripathi, T.
ReferenceIC&volume=62&fpage=797&details=yes target=icsd_help>Journal of Physics and Chemistry of Soli (2001) 62, 797-806
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CompoundCa1 O3 Ru1 - Calcium ruthenate(IV) [ABX3] [oP20] [d c2 b] []
Cell5.519, 7.665, 5.364, 90., 90., 90.
PNMA (62) V=226.91
RemarksR=0.055000 : X
The coordinates given in the paper contain an error. The values in the database have been corrected.
At least one temperature factor missing in the paper.
x-coordinate of O1 has been corrected from 0.102487 into 0.0248

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4c)2
Ru1(4b)4
O1(4c)-2
O2(8d)-2
0.940.250.0101
000.501
0.020.250.5801
0.200.450.2001

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