Materials Data on In3GaTe4 by Materials Project

Abstract

In3GaTe4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent In+1.67+ sites. In the first In+1.67+ site, In+1.67+ is bonded in a 8-coordinate geometry to eight equivalent Te2- atoms. There are four shorter (3.57 Å) and four longer (3.69 Å) In–Te bond lengths. In the second In+1.67+ site, In+1.67+ is bonded to four equivalent Te2- atoms to form InTe4 tetrahedra that share edges with two equivalent GaTe4 tetrahedra. All In–Te bond lengths are 2.85 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share edges with two equivalent InTe4 tetrahedra. All Ga–Te bond lengths are 2.69 Å. Te2- is bonded in a 2-coordinate geometry to five In+1.67+ and one Ga3+ atom.