Cs2Mn3S4 crystallizes in the orthorhombic C222 space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent S(1) atoms to form edge-sharing MnS4 tetrahedra. In the second Mn site, Mn(2) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing MnS4 tetrahedra. In the third Mn site, Mn(3) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing MnS4 tetrahedra. S(1) is bonded in a 3-coordinate geometry to four equivalent Cs(1), one Mn(1), one Mn(2), and one Mn(3) atom.
Cs2Mn3S4 crystallizes in the orthorhombic C222 space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. There are a spread of Cs(1)-S(1) bond distances ranging from 3.68-3.77 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent S(1) atoms to form edge-sharing MnS4 tetrahedra. All Mn(1)-S(1) bond lengths are 2.41 Å. In the second Mn site, Mn(2) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing MnS4 tetrahedra. All Mn(2)-S(1) bond lengths are 2.48 Å. In the third Mn site, Mn(3) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing MnS4 tetrahedra. All Mn(3)-S(1) bond lengths are 2.49 Å. S(1) is bonded in a 3-coordinate geometry to four equivalent Cs(1), one Mn(1), one Mn(2), and one Mn(3) atom.