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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=51880 Help
TitleDisplacive phase transitions in and strain anlysis of Fe-doped Ca Ti O3 perovskites at high temperatures by neutron diffraction.
AuthorsBecerro, A.I.; Redfern, S.A.T.; Carpenter, M.A.; Knight, K.S.; Seifert, F.
ReferenceIC&volume=167&fpage=459&details=yes target=icsd_help>Journal of Solid State Chemistry (2002) 167, 459-471
Link XRef SCOPUS Google
CompoundCa1 Fe0.2 O2.9 Ti0.8 - Calcium titanium iron(III) oxide (1/0.8/0.2/2.9) [ABX3] [cP5] [d b a] [CaTiO3]
Cell3.8767(1), 3.8767(1), 3.8767(1), 90, 90, 90
PM3-M (221) V=58.26
RemarksR=0.051300 : N T =1213 : =CaTiO3 : D

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(1b)2
Ti1(1a)4
Fe1(1a)3
O1(3d)-2
0.50.50.52.081
0.00.00.01.090.8
0.00.00.01.090.2
0.50.00.05.690.96

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