Local structural properties of 0.5BiMnO3-0.5ATiO3 (A = Ba or Sr)

Chem Commun (Camb). 2010 Mar 7;46(9):1455-7. doi: 10.1039/b912519a. Epub 2010 Jan 14.

Abstract

Neutron total scattering data have been used to probe the long- and short-range structure of 0.5BiMnO(3)-0.5ATiO(3) (A = Ba or Sr). Modelling of the total scattering data, using the reverse Monte Carlo (RMC) method, reveals local disorder that differs substantially from the average structure. Significantly, the Bi(3+) cations prefer to adopt an asymmetric coordination due to the influence of the lone-pair electrons.