Y2MoSe3O12 and Y2MoTe3O12: Solid-state synthesis, structure determination, and characterization of two new quaternary mixed metal oxides containing asymmetric coordination environment

Abstract

Two new quaternary yttrium molybdenum selenium/tellurium oxides, Y2MoSe3O12 and Y2MoTe3O12 have been prepared by standard solid-state reactions using Y2O3, MoO3, and SeO2 (or TeO2) as reagents. Single-crystal X-ray diffraction was used to determine the crystal structures of the reported materials. Although both of the materials contain second-order Jahn–Teller (SOJT) distortive cations and are stoichiometrically similar, they reveal different structural features: while Y2MoSe3O12 shows a three-dimensional framework consisting of YO8, MoO6, and SeO3 groups, Y2MoTe3O12 exhibits a layered structure composed of YO8, MoO4, TeO3, and TeO4 polyhedra. With the Mo6+ cations in Y2MoSe3O12, a C3-type intraoctahedral distortion toward a face is observed, in which the direction of the out-of-center distortion for Mo6+ is away from the oxide ligand linked to a Se4+ cation. The Se4+ and Te4+ cations in both materials are in asymmetric coordination environment attributed to the lone pairs. Elemental analyses, infrared spectroscopy, thermal analyses, intraoctahedral distortions, and dipole moment calculations for the compounds are also presented.