title: Neutron total scattering and reverse Monte Carlo study of cation ordering in Ca(x)Sr(1-x)TiO(3).
abstract: We use neutron total scattering measurements with reverse Monte Carlo analysis methods incorporating an atom-swapping algorithm to identify the short-range Ca/Sr cation ordering within the Ca(x)Sr(1-x)TiO(3) solid solution (compositions x = 0.2,0.5,0.8). Our results show that nearest-neighbour pairs have a strong tendency for unlike Ca/Sr first-neighbour coordination in the x = 0.2 and 0.5 cases. In the x = 0.5 case the Ca/Sr ordering results in a structure with space group P 2(1)nm. In contrast, there is much less short-range cation ordering in the x = 0.8 case.
authors.affiliation: Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ, UK.
authors.forename: Qun
authors.initials: Q
authors.lastname: Hui
authors.forename: Martin T
authors.initials: MT
authors.lastname: Dove
authors.forename: Matthew G
authors.initials: MG
authors.lastname: Tucker
authors.forename: Simon A T
authors.initials: SA
authors.lastname: Redfern
authors.forename: David A
authors.initials: DA
authors.lastname: Keen