The Importance of Multisite Correlations in Disordered Structures
Monte Carlo simulation modelling techniques are used to demonstrate that in two example systems the observed highly structured diffuse scattering can be explained in terms of a simple model involving a multi-site interaction originating from a local crystal chemistry constraint. The two examples discussed involve O/F ordering in K3MoO3F3and Bi/Zn cation ordering in the cubic pyrochlore (Bi1.5Zn0.5)(Zn0.5Nb0.5)O7.
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