Abstract

The structure refinement from x-ray diffraction data onPbTiO3 single crystals revealed that the parameters of the mean thermal displacements for Pb ionsin the high temperature paraelectric phase (SG ) showed large values. Therefore models with displacements of Pb ions in severalrelevant directions were tested. It is very likely that in the cubic phase there isdisorder for the Pb occupancy on three equivalent positions off the position (0, 0, 0).

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