Materials Data on ZnGa2(TeO3)4 by Materials Project

Abstract

ZnGa2(TeO3)4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Zn2+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Zn–O bond lengths are 1.95 Å. Ga3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.86 Å) and two longer (1.87 Å) Ga–O bond length. Te4+ is bonded in a 6-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–1.95 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one Te4+ atom.