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KZnSb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Sb3- atoms. All K–Sb bond lengths are 3.79 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Zn–Sb bond lengths are 2.64 Å. Sb3- is bonded in a distorted trigonal planar geometry to six equivalent K1+ and three equivalent Zn2+ atoms.
KZnSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded to six equivalent Sb3- atoms to form a mixture of distorted edge, face, and corner-sharing KSb6 octahedra. The corner-sharing octahedral tilt angles are 41°. All K–Sb bond lengths are 3.77 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Zn–Sb bond lengths are 2.64 Å. Sb3- is bonded in a distorted trigonal planar geometry to six equivalent K1+ and three equivalent Zn2+ atoms.