Geometric parameterization of the YBaCo4O7 structure type: implications for stability of the hexagonal form and oxygen uptake

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dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorKharton, VVen_AU
dc.contributor.authorTsipis, EVen_AU
dc.date.accessioned2010-11-03T01:11:20Zen_AU
dc.date.available2010-11-03T01:11:20Zen_AU
dc.date.issued2010-10en_AU
dc.date.statistics2010-10en_AU
dc.description.abstractWe explore the stability of the hexagonal form of MBaCo4O7 cobaltites in terms of geometric characteristics of the crystal structure and Global Instability Index (GII) based on the bond-valence considerations. Mismatch between an M3+/2+ and the three-dimensional network of CoO4 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 MBaCo4O7 structure. © 2010, Elsevier Ltd.en_AU
dc.identifier.citationAvdeev, M., Kharton, V. V., & Tsipis, E. V. (2010). Geometric parameterization of the YBaCo4O7 structure type: implications for stability of the hexagonal form and oxygen uptake. Journal of Solid State Chemistry, 183(10), 2506-2509. doi:10.1016/j.jssc.2010.08.019en_AU
dc.identifier.govdoc2981en_AU
dc.identifier.issn0022-4596en_AU
dc.identifier.issue10en_AU
dc.identifier.journaltitleJournal of Solid State Chemistryen_AU
dc.identifier.pagination2506-2509en_AU
dc.identifier.urihttp://dx.doi.org/10.1016/j.jssc.2010.08.019en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/2802en_AU
dc.identifier.volume183en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectOxygenen_AU
dc.subjectCrystal structureen_AU
dc.subjectPhase transformationsen_AU
dc.subjectCationsen_AU
dc.subjectValenceen_AU
dc.subjectStabilityen_AU
dc.titleGeometric parameterization of the YBaCo4O7 structure type: implications for stability of the hexagonal form and oxygen uptakeen_AU
dc.typeJournal Articleen_AU
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