Materials Data on Zn2TeO by Materials Project

Abstract

Zn2TeO crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to one Te2- and three equivalent O2- atoms to form distorted corner-sharing ZnTeO3 tetrahedra. The Zn–Te bond length is 2.69 Å. All Zn–O bond lengths are 2.24 Å. In the second Zn2+ site, Zn2+ is bonded in a distorted single-bond geometry to three equivalent Te2- and one O2- atom. All Zn–Te bond lengths are 2.58 Å. The Zn–O bond length is 1.96 Å. Te2- is bonded to four Zn2+ atoms to form distorted TeZn4 trigonal pyramids that share corners with six equivalent OZn4 tetrahedra and corners with six equivalent TeZn4 trigonal pyramids. O2- is bonded to four Zn2+ atoms to form distorted OZn4 tetrahedra that share corners with six equivalent OZn4 tetrahedra and corners with six equivalent TeZn4 trigonal pyramids.