Materials Data on TbCuTe2 by Materials Project

Abstract

TbCuTe2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Tb3+ is bonded to six Te2- atoms to form TbTe6 octahedra that share corners with six equivalent CuTe4 tetrahedra, edges with six equivalent TbTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. There are three shorter (3.05 Å) and three longer (3.15 Å) Tb–Te bond lengths. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six equivalent TbTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, and edges with three equivalent TbTe6 octahedra. The corner-sharing octahedra tilt angles range from 22–56°. There are three shorter (2.61 Å) and one longer (2.64 Å) Cu–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tb3+ and one Cu1+ atom. In the second Te2- site, Te2- is bonded to three equivalent Tb3+ and three equivalent Cu1+ atoms to form distorted edge-sharing TeTb3Cu3 octahedra.