Materials Data on Ga2Te3 by Materials Project

Abstract

Ga2Te3 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Ga2Te3 sheet oriented in the (0, 0, 1) direction. there are four inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Te2- atoms to form corner-sharing GaTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.62–2.76 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.58 Å) and two longer (2.68 Å) Ga–Te bond lengths. In the third Ga3+ site, Ga3+ is bonded to four Te2- atoms to form corner-sharing GaTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.62–2.74 Å. In the fourth Ga3+ site, Ga3+ is bonded to four Te2- atoms to form corner-sharing GaTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.61–2.73 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a water-like geometry to two equivalent Ga3+ atoms. In the second Te2- site, Te2- is bonded in a water-like geometry to two Ga3+ atoms. In the third Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the fourth Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the fifth Te2- site, Te2- is bonded in a distorted L-shaped geometry to two Ga3+ atoms. In the sixth Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms.