Materials Data on Ce2WO6 by Materials Project

Abstract

Ce2WO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ce3+ is bonded to six O2- atoms to form CeO6 octahedra that share corners with four equivalent CeO6 octahedra, corners with four equivalent WO6 octahedra, an edgeedge with one CeO6 octahedra, and an edgeedge with one WO6 octahedra. The corner-sharing octahedra tilt angles range from 48–58°. There are a spread of Ce–O bond distances ranging from 2.25–2.29 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight equivalent CeO6 octahedra and edges with two equivalent CeO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There are two shorter (2.08 Å) and four longer (2.09 Å) W–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Ce3+ and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one W6+ atom.