Materials Data on Ga7Te10 by Materials Project

Abstract

Ga7Te10 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are three inequivalent Ga+2.86+ sites. In the first Ga+2.86+ site, Ga+2.86+ is bonded in a trigonal non-coplanar geometry to three equivalent Te2- atoms. All Ga–Te bond lengths are 2.71 Å. In the second Ga+2.86+ site, Ga+2.86+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing GaTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.59–2.71 Å. In the third Ga+2.86+ site, Ga+2.86+ is bonded to four Te2- atoms to form corner-sharing GaTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.62–2.72 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga+2.86+ atoms. In the second Te2- site, Te2- is bonded in an L-shaped geometry to two equivalent Ga+2.86+ atoms. In the third Te2- site, Te2- is bonded in a water-like geometry to two equivalent Ga+2.86+ atoms. In the fourth Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga+2.86+ atoms. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ga+2.86+ atoms.