Materials Data on NaZnSb by Materials Project

Abstract

NaZnSb is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to five equivalent Sb3- atoms to form distorted NaSb5 trigonal bipyramids that share corners with twelve equivalent ZnSb4 tetrahedra, corners with four equivalent NaSb5 trigonal bipyramids, edges with four equivalent ZnSb4 tetrahedra, and edges with eight equivalent NaSb5 trigonal bipyramids. There are one shorter (3.26 Å) and four longer (3.29 Å) Na–Sb bond lengths. Zn2+ is bonded to four equivalent Sb3- atoms to form ZnSb4 tetrahedra that share corners with four equivalent ZnSb4 tetrahedra, corners with twelve equivalent NaSb5 trigonal bipyramids, edges with four equivalent ZnSb4 tetrahedra, and edges with four equivalent NaSb5 trigonal bipyramids. All Zn–Sb bond lengths are 2.80 Å. Sb3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Zn2+ atoms.