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Mixed valency in cerium oxide crystallographic phases: Valence of different cerium sites by the bond valence method

Mixed valency in cerium oxide crystallographic phases: Valence of different cerium sites by the bond valence method

Authors :
Ross H. McKenzie
Elvis Shoko
M. F. Smith
Source :
Physical Review B. 79
Publication Year :
2009
Publisher :
American Physical Society (APS), 2009.

Abstract

We have applied the bond valence method to cerium oxides to determine the oxidation states of the Ce ion at the various site symmetries of the crystals. The crystals studied include cerium dioxide and the two sesquioxides along with some selected intermediate phases which are crystallographically well characterized. Our results indicate that cerium dioxide has a mixed-valence ground state with an f-electron population on the Ce site of 0.27 while both the A- and C-sesquioxides have a nearly pure f1 configuration. The Ce sites in most of the intermediate oxides have nonintegral valences. Furthermore, many of these valences are different from the values predicted from a naive consideration of the stoichiometric valence of the compound.

Details

ISSN :
1550235X and 10980121
Volume :
79
Database :
OpenAIRE
Journal :
Physical Review B
Accession number :
edsair.doi...........41d195c4e4b596a87009f6cfe3a6752a
Full Text :
https://doi.org/10.1103/physrevb.79.134108