Materials Data on LuCuTe2 by Materials Project
LuCuTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent Te2- atoms to form LuTe6 octahedra that share corners with twelve equivalent CuTe6 octahedra, edges with six equivalent LuTe6 octahedra, and faces with two equivalent CuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Lu–Te bond lengths are 3.03 Å. Cu1+ is bonded to six equivalent Te2- atoms to form CuTe6 octahedra that share corners with twelve equivalent LuTe6 octahedra, edges with six equivalent CuTe6 octahedra, and faces with two equivalent LuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cu–Te bond lengths are 2.87 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Lu3+ and three equivalent Cu1+ atoms.