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Local Strain, Structured Diffuse Scattering and Oxygen/Fluorine Ordering in Transition Metal Oxyfluorides

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Conventional crystal structure refinements commonly report‘random'anion site occupancies for the anion, or X, site positions of many metal oxyfluoride phases despite compelling evidence suggesting there must exist at least local O/F ordering. Diffraction evidence for such local ordering has been found to exist in a range of oxyfluorides in the form of structured diffuse scattering, typically a consequence of the correlated displacive relaxation of the cations induced by local O/F ordering.
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Keywords: Local strain and O/F ordering; correlated displacive relaxation; induced structured diffuse scattering

Document Type: Research Article

Affiliations: Research School of Chemistry, Australian National University, Canberra, Australia

Publication date: January 1, 2004

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