ICSD for WWW

Details of the selected entries


1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=92350 Help
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

Demo database


Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2018 by Fachinformationszentrum (FIZ) Karlsruhe
The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat
The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat
The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat
Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).