Cs2Zn3S4 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a distorted body-centered cubic geometry to eight equivalent S(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing ZnS4 tetrahedra. In the second Zn site, Zn(2) is bonded to four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing ZnS4 tetrahedra. S(1) is bonded in a 7-coordinate geometry to four equivalent Cs(1), one Zn(1), and two equivalent Zn(2) atoms.
Cs2Zn3S4 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a distorted body-centered cubic geometry to eight equivalent S(1) atoms. There are a spread of Cs(1)-S(1) bond distances ranging from 3.56-3.71 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing ZnS4 tetrahedra. All Zn(1)-S(1) bond lengths are 2.37 Å. In the second Zn site, Zn(2) is bonded to four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing ZnS4 tetrahedra. There are two shorter (2.33 Å) and two longer (2.43 Å) Zn(2)-S(1) bond lengths. S(1) is bonded in a 7-coordinate geometry to four equivalent Cs(1), one Zn(1), and two equivalent Zn(2) atoms.