Materials Data on ZnTe2O5 by Materials Project

Abstract

ZnTe2O5 crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.06 Å) and two longer (2.48 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.22 Å) and four longer (2.39 Å) Zn–O bond lengths. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.24 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Zn2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Zn2+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Zn2+ and one Te4+ atom.