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Structural Chemistry of Alkaline Earth Hexa-Aluminates

Published online by Cambridge University Press:  16 February 2011

Jae-Gwan Park  and
A. N. Cormack
Jae-Gwan Park
Affiliation:
New York State College of Ceramics at Alfred University, Alfred, NY 14802, U.S.A.
A. N. Cormack
Affiliation:
New York State College of Ceramics at Alfred University, Alfred, NY 14802, U.S.A.
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Abstract

Computer-based atomistic simulation techniques have been used to investigate the crystal chemistry and phase relationships in alkaline earth hexa-aluminates. The lattice energies for hexa-aluminate-related structural models are calculated and successfully predict that barium prefers the β-alumina-type structures with charge-balancing defects, whilst calcium or strontium prefers the ideal magnetoplumbite structure. In the case of magnesium, it is predicted that it does not prefer a hexa-aluminate structure.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 369: Symposium U – Solid State Ionics IV , 1994 , 457
Copyright
Copyright © Materials Research Society 1995

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