Materials Data on Tb(CuSe)3 by Materials Project

Abstract

Tb(CuSe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tb3+ is bonded to six equivalent Se2- atoms to form TbSe6 octahedra that share corners with twelve equivalent CuSe4 tetrahedra, edges with three equivalent TbSe6 octahedra, and edges with six equivalent CuSe4 tetrahedra. All Tb–Se bond lengths are 2.87 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent TbSe6 octahedra, corners with six equivalent CuSe4 tetrahedra, edges with two equivalent TbSe6 octahedra, and edges with three equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–57°. There are a spread of Cu–Se bond distances ranging from 2.43–2.50 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Tb3+ and four equivalent Cu1+ atoms.