Materials Data on Tc3Te by Materials Project

Abstract

Tc3Te is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Tc+0.67+ sites. In the first Tc+0.67+ site, Tc+0.67+ is bonded to four equivalent Te2- atoms to form TcTe4 tetrahedra that share corners with twelve equivalent TcTe6 octahedra, corners with sixteen equivalent TcTe4 tetrahedra, edges with six equivalent TcTe4 tetrahedra, and faces with four equivalent TcTe6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Tc–Te bond lengths are 2.76 Å. In the second Tc+0.67+ site, Tc+0.67+ is bonded to six equivalent Te2- atoms to form TcTe6 octahedra that share corners with six equivalent TcTe6 octahedra, corners with twenty-four equivalent TcTe4 tetrahedra, edges with twelve equivalent TcTe6 octahedra, and faces with eight equivalent TcTe4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–Te bond lengths are 3.18 Å. Te2- is bonded in a distorted body-centered cubic geometry to fourteen Tc+0.67+ atoms.