Confirmation of the monoclinic Cc space group for the ground state phase of Pb(Zr0.525Ti0.475)O3 (PZT525): A Combined Synchrotron X-Ray and Neutron Powder Diffraction Study

摘要

The low temperature antiferrodistortive phase transition in apseudo-tetragonal composition of PZT with x=0.525 is investigated through acombined synchrotron x-ray and neutron powder diffraction study. It is shownthat the superlattice peaks cannot be correctly accounted for in the Rietveldrefinement using R3c or R3c+Cm structural models, whereas the Cc space groupgives excellent fits to the superlattice peaks as well as to the perovskitepeaks. This settles at rest the existing controversies about the structure ofthe ground state phase of PZT in the MPB region.