Cs2Hg3S4 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Hg(2) and eight equivalent S(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted linear geometry to two equivalent Cs(1) and two equivalent S(1) atoms. S(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Hg(1), and one Hg(2) atom.
Cs2Hg3S4 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Hg(2) and eight equivalent S(1) atoms. Both Cs(1)-Hg(2) bond lengths are 3.98 Å. There are a spread of Cs(1)-S(1) bond distances ranging from 3.59-3.91 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. All Hg(1)-S(1) bond lengths are 2.61 Å. In the second Hg site, Hg(2) is bonded in a distorted linear geometry to two equivalent Cs(1) and two equivalent S(1) atoms. Both Hg(2)-S(1) bond lengths are 2.37 Å. S(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Hg(1), and one Hg(2) atom.