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Systematic Structural Change in Selected Rare Earth Oxide Pyrochlores as Determined by Wide Angle CBED and a Comparison with the Results of Atomistic Computer Simulation

Tabira, Y.; Withers, Raymond; Minervini, Licia; Grimes, Robin


An unknown oxygen atom fractional co-ordinate characteristic of the pyrochlore structure type has been determined for selected rare earth zirconate and titanate pyrochlores via a systematic row wide-angle CBED technique and shown to vary systematically with rare earth ion size. In the case of the titanate pyrochlore Gd2Ti2O7, the obtained results contrast with previously published X-ray results. Atomistic computer simulation is used to predict the value of the same parameter for a wide range of...[Show more]

CollectionsANU Research Publications
Date published: 2000
Type: Journal article
Source: Journal of Solid State Chemistry
DOI: 10.1006/jssc.2000.8712


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