Materials Data on Ho(CuTe)3 by Materials Project

Abstract

Ho(CuTe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent Te2- atoms to form HoTe6 octahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with three equivalent HoTe6 octahedra, and edges with six equivalent CuTe4 tetrahedra. There are three shorter (3.04 Å) and three longer (3.05 Å) Ho–Te bond lengths. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent HoTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, edges with two equivalent HoTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–57°. There are a spread of Cu–Te bond distances ranging from 2.61–2.65 Å. Te2- is bonded to two equivalent Ho3+ and four equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing TeHo2Cu4 octahedra. The corner-sharing octahedra tilt angles range from 1–91°.