Crystal Structure Determinations of Zr Rich-PbZr1-x Ti x O3

Abstract

TOF experiments were carried out at room temperature and high temperature for Zr rich PbZr1-x Ti x O3 powders. The best R-factors were obtained with a mixture of R3c and Cm phases. The composition of the Cm phase monotonically increases towards the MPB. At high temperature in the cubic phase, the ADPs for the Pb atom become smaller when Pb displacements along either <110> or <111> are taken into account. This suggests the possibility of coexistence between a cubic ordered phase and a disordered phase which act as a nucleus for R3c and Cm phases at room temperature.