Cs2HgC2SOI4 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 1-coordinate geometry to one O(1), one I(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one C(2), one S(1), one I(2), two equivalent I(1), and two equivalent I(4) atoms. Hg(1) is bonded in a distorted tetrahedral geometry to one C(2), one I(1), one I(3), and one I(4) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a bent 150 degrees geometry to one C(2) and one S(1) atom. In the second C site, C(2) is bonded in a 3-coordinate geometry to one Cs(2), one Hg(1), and one C(1) atom. S(1) is bonded in a distorted single-bond geometry to one Cs(2), one C(1), one O(1), and one I(2) atom. O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1) and one S(1) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one Hg(1) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Cs(2), two equivalent Cs(1), and one S(1) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to two equivalent Cs(1) and one Hg(1) atom. In the fourth I site, I(4) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one Hg(1) atom.
Cs2HgC2SOI4 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 1-coordinate geometry to one O(1), one I(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms. The Cs(1)-O(1) bond length is 3.04 Å. The Cs(1)-I(1) bond length is 3.87 Å. The Cs(1)-I(4) bond length is 4.03 Å. There is one shorter (4.29 Å) and one longer (4.32 Å) Cs(1)-I(2) bond length. There is one shorter (3.91 Å) and one longer (4.09 Å) Cs(1)-I(3) bond length. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one C(2), one S(1), one I(2), two equivalent I(1), and two equivalent I(4) atoms. The Cs(2)-C(2) bond length is 3.81 Å. The Cs(2)-S(1) bond length is 3.93 Å. The Cs(2)-I(2) bond length is 4.32 Å. There is one shorter (3.92 Å) and one longer (4.16 Å) Cs(2)-I(1) bond length. There is one shorter (3.79 Å) and one longer (3.95 Å) Cs(2)-I(4) bond length. Hg(1) is bonded in a distorted tetrahedral geometry to one C(2), one I(1), one I(3), and one I(4) atom. The Hg(1)-C(2) bond length is 2.16 Å. The Hg(1)-I(1) bond length is 2.85 Å. The Hg(1)-I(3) bond length is 2.83 Å. The Hg(1)-I(4) bond length is 2.94 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a bent 150 degrees geometry to one C(2) and one S(1) atom. The C(1)-C(2) bond length is 1.24 Å. The C(1)-S(1) bond length is 1.68 Å. In the second C site, C(2) is bonded in a 3-coordinate geometry to one Cs(2), one Hg(1), and one C(1) atom. S(1) is bonded in a distorted single-bond geometry to one Cs(2), one C(1), one O(1), and one I(2) atom. The S(1)-O(1) bond length is 1.49 Å. The S(1)-I(2) bond length is 2.64 Å. O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1) and one S(1) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one Hg(1) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one Cs(2), two equivalent Cs(1), and one S(1) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to two equivalent Cs(1) and one Hg(1) atom. In the fourth I site, I(4) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one Hg(1) atom.