Materials Data on Cs2TeO4 by Materials Project

Abstract

Cs2TeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to one O2- atom. The Cs–O bond length is 2.94 Å. In the second Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.09–3.41 Å. Te6+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.85 Å) and one longer (1.86 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Cs1+ and one Te6+ atom.