Materials Data on NaCdSb by Materials Project

NaCdSb crystallizes in the orthorhombic Pnma 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 eight equivalent CdSb4 tetrahedra, corners with eight equivalent NaSb5 trigonal bipyramids, edges with six equivalent CdSb4 tetrahedra, and edges with six equivalent NaSb5 trigonal bipyramids. There are a spread of Na–Sb bond distances ranging from 3.24–3.47 Å. Cd2+ is bonded to four equivalent Sb3- atoms to form CdSb4 tetrahedra that share corners with eight equivalent CdSb4 tetrahedra, corners with eight equivalent NaSb5 trigonal bipyramids, edges with two equivalent CdSb4 tetrahedra, and edges with six equivalent NaSb5 trigonal bipyramids. There are three shorter (2.93 Å) and one longer (3.03 Å) Cd–Sb bond lengths. Sb3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Cd2+ atoms.