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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
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