Cs2Co3S4 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 Co sites. In the first Co site, Co(1) is bonded to four equivalent S(1) atoms to form a mixture of edge and corner-sharing CoS4 tetrahedra. In the second Co site, Co(2) is bonded to four equivalent S(1) atoms to form a mixture of edge and corner-sharing CoS4 tetrahedra. S(1) is bonded in a 3-coordinate geometry to four equivalent Cs(1), one Co(2), and two equivalent Co(1) atoms.
Cs2Co3S4 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 3.55-3.59 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent S(1) atoms to form a mixture of edge and corner-sharing CoS4 tetrahedra. There are two shorter (2.17 Å) and two longer (2.22 Å) Co(1)-S(1) bond lengths. In the second Co site, Co(2) is bonded to four equivalent S(1) atoms to form a mixture of edge and corner-sharing CoS4 tetrahedra. All Co(2)-S(1) bond lengths are 2.20 Å. S(1) is bonded in a 3-coordinate geometry to four equivalent Cs(1), one Co(2), and two equivalent Co(1) atoms.