G. Baldinozzi et al., RIETVELD REFINEMENT OF THE INCOMMENSURATE STRUCTURE OF THE ELPASOLITE(ORDERED PEROVSKITE) PB2MGTEO6, Journal of physics. Condensed matter, 10(29), 1998, pp. 6461-6472
Lead magnesium tellurate, Pb2MgTeO6, undergoes two structural phase tr
ansitions at about 194 K and 142 K. The structures of the cubic and of
the lower-temperature phase have been refined by the Rietveld method
at three different temperatures (350, 220 and 6 K). The relative simpl
icity of the structure has allowed the incommensurately modulated stru
cture for powder samples to be characterized. The modulated displaceme
nts of O atoms give rise to a large spread of bond lengths. Pb atoms a
re disordered and their average positions are away from the threefold
axis. The structural resolution is compared to that from the analysis
of the symmetry-adapted coordinates of the optic modes becoming totall
y symmetric in the lower-temperature phase.