Geometric parameterization of the YBaCo{sub 4}O{sub 7} structure type: Implications for stability of the hexagonal form and oxygen uptake

We explore the stability of the hexagonal form of MBaCo{sub 4}O{sub 7} cobaltites in terms of geometric characteristics of the crystal structure and Global Instability Index (GII) based on the bond-valence considerations. Mismatch between an M{sup 3+/2+} and the three-dimensional network of CoO{sub...

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Bibliographic Details
Published inJournal of solid state chemistry Vol. 183; no. 10
Main Authors Avdeev, M., Kharton, V.V., Tsipis, E.V.
Format Journal Article
LanguageEnglish
Published United States 15.10.2010
Subjects
ALKALINE EARTH METAL COMPOUNDS
BARIUM COMPOUNDS
CATIONS
CHALCOGENIDES
CHARGED PARTICLES
COBALT COMPOUNDS
CONFIGURATION
CRYSTAL LATTICES
CRYSTAL STRUCTURE
ELEMENTS
HEXAGONAL CONFIGURATION
INSTABILITY
IONS
MATERIALS SCIENCE
NONMETALS
ORTHORHOMBIC LATTICES
OXIDES
OXYGEN
OXYGEN COMPOUNDS
PHASE TRANSFORMATIONS
STABILITY
TRANSITION ELEMENT COMPOUNDS
YTTRIUM COMPOUNDS
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Summary:We explore the stability of the hexagonal form of MBaCo{sub 4}O{sub 7} cobaltites in terms of geometric characteristics of the crystal structure and Global Instability Index (GII) based on the bond-valence considerations. Mismatch between an M{sup 3+/2+} and the three-dimensional network of CoO{sub 4} tetrahedra, whether expressed using an M ionic radii or GII, is shown to essentially determine both the temperature of structural transition to an orthorhombic modification and oxygen storage properties. A number of M cations not reported in the literature are identified to be suitable for the octahedral sites in an MBaCo{sub 4}O{sub 7} structure. - Graphical Abstract: Global Instability Index (GII) for an M{sup 3+}BaCo{sub 4}{sup 2.25+}O{sub 7}
ISSN:0022-4596
1095-726X
DOI:10.1016/j.jssc.2010.08.019