KLiZnS2 crystallizes in the tetragonal I-4m2 space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Li(1) is bonded to four equivalent S(1) atoms to form distorted LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra and edges with four equivalent Zn(1)S4 tetrahedra. Zn(1) is bonded to four equivalent S(1) atoms to form distorted ZnS4 tetrahedra that share corners with four equivalent Zn(1)S4 tetrahedra and edges with four equivalent Li(1)S4 tetrahedra. S(1) is bonded in a 8-coordinate geometry to four equivalent K(1), two equivalent Li(1), and two equivalent Zn(1) atoms.
KLiZnS2 crystallizes in the tetragonal I-4m2 space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. All K(1)-S(1) bond lengths are 3.44 Å. Li(1) is bonded to four equivalent S(1) atoms to form distorted LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra and edges with four equivalent Zn(1)S4 tetrahedra. All Li(1)-S(1) bond lengths are 2.41 Å. Zn(1) is bonded to four equivalent S(1) atoms to form distorted ZnS4 tetrahedra that share corners with four equivalent Zn(1)S4 tetrahedra and edges with four equivalent Li(1)S4 tetrahedra. All Zn(1)-S(1) bond lengths are 2.41 Å. S(1) is bonded in a 8-coordinate geometry to four equivalent K(1), two equivalent Li(1), and two equivalent Zn(1) atoms.