Materials Data on ErCuTe2 by Materials Project

Abstract

ErCuTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 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 CuTe6 octahedra, edges with six equivalent ErTe6 octahedra, and faces with two equivalent CuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Er–Te bond lengths are 3.05 Å. Cu1+ is bonded to six equivalent Te2- atoms to form CuTe6 octahedra that share corners with twelve equivalent ErTe6 octahedra, edges with six equivalent CuTe6 octahedra, and faces with two equivalent ErTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cu–Te bond lengths are 2.86 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Er3+ and three equivalent Cu1+ atoms.