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Oxygen/fluorine ordering, structured diffuse scattering and the local crystal chemistry of K3MoO3F3

Withers, Raymond; Welberry, Thomas; Brink, Frank; Noren, Lasse


Bond valence sum calculations are used to investigate the crystal chemistry of the elpasolite-related oxyfluoride K3MoO 3F3 in order to obtain insight into the type/s of structural distortion (away from an ideal, high symmetry, elpasolite type parent structure) responsible for a characteristic, highly structured, three-dimensional diffuse intensity distribution. The first required type of local structural distortion corresponds to large amplitude MoO3F 3 octahedral rotations while the second is...[Show more]

CollectionsANU Research Publications
Date published: 2003
Type: Journal article
Source: Journal of Solid State Chemistry
DOI: 10.1016/S0022-4596(02)00036-1


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