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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleMetal-semiconductor transition, charge disproportionation, and low-temperature structure of Ca1-x Srx Fe O3 synthesized under high-oxygen pressure.
AuthorsTakeda, T.;Kanno, R.;Kawamoto, Y.;Takano, M.;Kawasaki, S.;Kamiyama, T.;Izumi, F.
ReferenceIC&volume=2&fpage=673&details=yes target=icsd_help>Solid State Sciences (2000) 2, 673-687
Link XRef SCOPUS Google
CompoundCa1 Fe1 O3 - Calcium ferrate(IV) [ABX3] [oP20] [d c2 b] []
Cell5.35121(10), 7.53969(12), 5.32580(9), 90., 90., 90.
PNMA (62) V=214.88
RemarksR=0.016000 : T =310 : N
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4c)2
Fe1(4b)4
O1(8d)-2
O2(4c)-2
0.030.25-.0001
0.50001
0.280.030.7101
0.480.250.0601
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ca1(4c)2
Fe1(4b)4
O1(8d)-2
O2(4c)-2
0.010.000.000-.000
0.000.000.00-.000.000.00
0.000.000.00-.00-.00-.00
0.000.010.0000.000

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