Materials Data on CdCuSb by Materials Project

Abstract

CuCdSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Sb3- atoms to form CuSb4 tetrahedra that share corners with four equivalent CdSb4 tetrahedra, corners with twelve equivalent CuSb4 tetrahedra, and edges with six equivalent CdSb4 tetrahedra. All Cu–Sb bond lengths are 2.84 Å. Cd2+ is bonded to four equivalent Sb3- atoms to form CdSb4 tetrahedra that share corners with four equivalent CuSb4 tetrahedra, corners with twelve equivalent CdSb4 tetrahedra, and edges with six equivalent CuSb4 tetrahedra. All Cd–Sb bond lengths are 2.84 Å. Sb3- is bonded in a body-centered cubic geometry to four equivalent Cu1+ and four equivalent Cd2+ atoms.