Materials Data on Ti2Te3 by Materials Project

Ti2Te3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing TiTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. All Ti–Te bond lengths are 2.78 Å. In the second Ti3+ site, Ti3+ is bonded to six Te2- atoms to form a mixture of edge, face, and corner-sharing TiTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are three shorter (2.79 Å) and three longer (2.84 Å) Ti–Te bond lengths. In the third Ti3+ site, Ti3+ is bonded to six Te2- atoms to form a mixture of face and corner-sharing TiTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. All Ti–Te bond lengths are 2.78 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Ti3+ atoms. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Ti3+ atoms. In the third Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Ti3+ atoms.