Materials Data on Er(CuTe)3 by Materials Project

Abstract

ErCu3Te3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Er3+ is bonded to six equivalent Te2- atoms to form ErTe6 octahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with three equivalent ErTe6 octahedra, and edges with six equivalent CuTe4 tetrahedra. All Er–Te bond lengths are 3.06 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent ErTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, edges with two equivalent ErTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–59°. There are a spread of Cu–Te bond distances ranging from 2.61–2.68 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Er3+ and four equivalent Cu1+ atoms.