Materials Data on LiZnSb by Materials Project

Abstract

LiZnSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with four equivalent ZnSb4 tetrahedra, corners with twelve equivalent LiSb4 tetrahedra, and edges with six equivalent ZnSb4 tetrahedra. All Li–Sb bond lengths are 2.77 Å. Zn2+ is bonded to four equivalent Sb3- atoms to form ZnSb4 tetrahedra that share corners with four equivalent LiSb4 tetrahedra, corners with twelve equivalent ZnSb4 tetrahedra, and edges with six equivalent LiSb4 tetrahedra. All Zn–Sb bond lengths are 2.77 Å. Sb3- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Zn2+ atoms.