Crystal Structure Determination of Antiferroelectric PbZrO₃–Application of Profile Analysis Method to Powder Method of X-ray and Neutron Diffraction–

Crystal structure of antiferroelectric PbZrO 3 has been studied at room temperature by adopting X-ray and neutron profile analysis methods. A considerable refinement of the structure has been made on a previous model which has generally been accepted in these 20 years. In contrast to the old model which has a large spontaneous polarization, present model has no polarization at all, and the interatomic distances are reasonable magnitude. Several contradictions having been noticed between the dielectric properties and the structural nature are now completely resolved.