Materials Data on NaZnAs by Materials Project

Abstract

NaZnAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent As3- atoms to form NaAs4 tetrahedra that share corners with four equivalent ZnAs4 tetrahedra, corners with twelve equivalent NaAs4 tetrahedra, and edges with six equivalent ZnAs4 tetrahedra. All Na–As bond lengths are 2.75 Å. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent NaAs4 tetrahedra, corners with twelve equivalent ZnAs4 tetrahedra, and edges with six equivalent NaAs4 tetrahedra. All Zn–As bond lengths are 2.75 Å. As3- is bonded in a body-centered cubic geometry to four equivalent Na1+ and four equivalent Zn2+ atoms.