Materials Data on Tm(CuTe)3 by Materials Project

Abstract

TmCu3Te3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Te2- atoms to form TmTe6 octahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with three equivalent TmTe6 octahedra, and edges with six equivalent CuTe4 tetrahedra. All Tm–Te bond lengths are 3.04 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent TmTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, edges with two equivalent TmTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 14–59°. There are a spread of Cu–Te bond distances ranging from 2.61–2.67 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Tm3+ and four equivalent Cu1+ atoms.