X-Ray and Neutron Diffraction Study of Antiferroelectric Lead Zirconate, PbZrO3

Abstract

The room-temperature structure of antiferroelectric lead zirconate, PbZr${\mathrm{O}}_3$, has been studied by x-ray and neutron diffraction. The symmetry is orthorhombic (pseudotetragonal) with lattice parameters $a=5.88\mathrm{}$ A, $b=11.77\mathrm{}$ A, $c=8.22\mathrm{}$ A. The space group is $\mathrm{Pba}2\mathrm{}$ and there are 8 formula units in the unit cell. The structure results from slight distortions of the cubic perovskite lattice, which the crystal assumes above 230°C.