Materials Data on Zn2TeWO6 by Materials Project

Abstract

WZn2TeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight equivalent ZnO4 tetrahedra. There are a spread of W–O bond distances ranging from 1.94–1.98 Å. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent WO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–61°. There are a spread of Zn–O bond distances ranging from 2.01–2.12 Å. Te4+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.17 Å) and two longer (2.36 Å) Te–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one W4+, one Zn2+, and one Te4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one W4+, one Zn2+, and one Te4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one W4+ and two equivalent Zn2+ atoms.