Materials Data on NaZnAs by Materials Project

Abstract

NaZnAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to five equivalent As3- atoms to form distorted NaAs5 trigonal bipyramids that share corners with twelve equivalent ZnAs4 tetrahedra, corners with four equivalent NaAs5 trigonal bipyramids, edges with four equivalent ZnAs4 tetrahedra, and edges with eight equivalent NaAs5 trigonal bipyramids. There are one shorter (3.08 Å) and four longer (3.12 Å) Na–As bond lengths. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent ZnAs4 tetrahedra, corners with twelve equivalent NaAs5 trigonal bipyramids, edges with four equivalent ZnAs4 tetrahedra, and edges with four equivalent NaAs5 trigonal bipyramids. All Zn–As bond lengths are 2.61 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Zn2+ atoms.