Abstract

Polar structures with pseudosymmetry related to a hypothetical non-polar configuration are considered as good candidates for displacive ferroelectrics. Recently we have developed a procedure for the systematic search of pseudosymmetric structures in the available databases. The aim of the present contribution is the generalization of the pseudosymmetry search procedure to include possible displacive ferroelectric structures which implies an additional optimization of the continuous parameter(s) describing the location of the non-polar symmetry elements. Here we present the results of the search for possible displacive ferroelectrics among the compounds with space group Pba 2, listed in the Inorganic Crystal Structure Database.

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