CuZn2InS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent In(1)S4 tetrahedra and corners with eight equivalent Zn(1)S4 tetrahedra. Zn(1) is bonded to four equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Zn(1)S4 tetrahedra, and corners with four equivalent In(1)S4 tetrahedra. In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Zn(1)S4 tetrahedra. S(1) is bonded to one Cu(1), two equivalent Zn(1), and one In(1) atom to form corner-sharing SZn2InCu tetrahedra.
CuZn2InS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent In(1)S4 tetrahedra and corners with eight equivalent Zn(1)S4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.32 Å. Zn(1) is bonded to four equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Zn(1)S4 tetrahedra, and corners with four equivalent In(1)S4 tetrahedra. All Zn(1)-S(1) bond lengths are 2.37 Å. In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Zn(1)S4 tetrahedra. All In(1)-S(1) bond lengths are 2.50 Å. S(1) is bonded to one Cu(1), two equivalent Zn(1), and one In(1) atom to form corner-sharing SZn2InCu tetrahedra.