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

Please use this identifier to cite or link to this item: http://apo.ansto.gov.au/dspace/handle/10238/2802

Title:	Geometric parameterization of the YBaCo4O7 structure type: implications for stability of the hexagonal form and oxygen uptake.
Authors:	Avdeev, M Kharton, VV Tsipis, EV
Keywords:	Oxygen Crystal Structure Phase Transformations Cations Valence Stability
Issue Date:	Oct-2010
Publisher:	Elsevier
Citation:	Avdeev, 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.
Abstract:	We 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.
URI:	http://dx.doi.org/10.1016/j.jssc.2010.08.019 http://apo.ansto.gov.au/dspace/handle/10238/2802
ISSN:	0022-4596
Appears in Collections:	Journal Articles

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