Materials Data on In2Te3 by Materials Project

Abstract

In2Te3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Te2- atoms to form edge-sharing InTe4 tetrahedra. There are two shorter (2.83 Å) and two longer (2.94 Å) In–Te bond lengths. In the second In3+ site, In3+ is bonded in a 3-coordinate geometry to four Te2- atoms. There are three shorter (2.90 Å) and one longer (3.40 Å) In–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent In3+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.11 Å. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent In3+ and one Te2- atom. In the third Te2- site, Te2- is bonded in a T-shaped geometry to three In3+ atoms.