Materials Data on Li2CuSb by Materials Project

Abstract

Li2CuSb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent Sb3- atoms. All Li–Sb bond lengths are 3.17 Å. In the second Li1+ site, Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with four equivalent CuSb4 tetrahedra, corners with twelve equivalent LiSb4 tetrahedra, and edges with six equivalent CuSb4 tetrahedra. All Li–Sb bond lengths are 2.74 Å. Cu1+ is bonded to four equivalent Sb3- atoms to form CuSb4 tetrahedra that share corners with four equivalent LiSb4 tetrahedra, corners with twelve equivalent CuSb4 tetrahedra, and edges with six equivalent LiSb4 tetrahedra. All Cu–Sb bond lengths are 2.74 Å. Sb3- is bonded in a 8-coordinate geometry to ten Li1+ and four equivalent Cu1+ atoms.