Systematic search of displacive ferroelectrics

Polar structures with pseudosymmetry related to a hypothetical non-polar co nfiguration are considered as good candidates for displacive ferroelectrics . Recently we have developed a procedure for the systematic search of pseud osymmetric structures in the available databases. The aim of the present co ntribution is the generalization of the pseudosymmetry search procedure to include possible displacive ferroelectric structures which implies an addit ional optimization of the continuous parameter(s) describing the location o f the non-polar symmetry elements. Here we present the results of the searc h for possible displacive ferroelectrics among the compounds with space gro up Pba2, listed in the Inorganic Crystal Structure Database.