Hg2Tl3S3O12Cl crystallizes in the monoclinic P2_1 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one O(1), one O(12), one O(4), one O(5), and one O(8) atom to form HgO5 trigonal bipyramids that share  a cornercorner with one S(3)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(6), one O(9), and one Cl(1) atom. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one O(6) atom. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one O(10) atom. In the third Tl site, Tl(3) is bonded in a distorted single-bond geometry to one O(7) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(4), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Hg(1)O5 trigonal bipyramids. In the second S site, S(2) is bonded to one O(1), one O(10), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with two equivalent Hg(1)O5 trigonal bipyramids. In the third S site, S(3) is bonded to one O(12), one O(2), one O(3), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Hg(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(2) and one S(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Hg(2), one Tl(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Tl(3) and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Hg(1) and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Hg(2) and one S(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Tl(2) and one S(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Hg(2) and one S(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(3) atom. Cl(1) is bonded in a single-bond geometry to one Hg(2) atom.
Hg2Tl3S3O12Cl crystallizes in the monoclinic P2_1 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one O(1), one O(12), one O(4), one O(5), and one O(8) atom to form HgO5 trigonal bipyramids that share  a cornercorner with one S(3)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The Hg(1)-O(1) bond length is 2.18 Å. The Hg(1)-O(12) bond length is 2.36 Å. The Hg(1)-O(4) bond length is 2.18 Å. The Hg(1)-O(5) bond length is 2.49 Å. The Hg(1)-O(8) bond length is 2.43 Å. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(6), one O(9), and one Cl(1) atom. The Hg(2)-O(11) bond length is 2.70 Å. The Hg(2)-O(2) bond length is 2.13 Å. The Hg(2)-O(6) bond length is 2.57 Å. The Hg(2)-O(9) bond length is 2.50 Å. The Hg(2)-Cl(1) bond length is 2.34 Å. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one O(6) atom. The Tl(1)-O(6) bond length is 2.79 Å. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one O(10) atom. The Tl(2)-O(10) bond length is 2.73 Å. In the third Tl site, Tl(3) is bonded in a distorted single-bond geometry to one O(7) atom. The Tl(3)-O(7) bond length is 2.63 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(4), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Hg(1)O5 trigonal bipyramids. The S(1)-O(11) bond length is 1.47 Å. The S(1)-O(4) bond length is 1.53 Å. The S(1)-O(7) bond length is 1.47 Å. The S(1)-O(8) bond length is 1.47 Å. In the second S site, S(2) is bonded to one O(1), one O(10), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with two equivalent Hg(1)O5 trigonal bipyramids. The S(2)-O(1) bond length is 1.52 Å. The S(2)-O(10) bond length is 1.46 Å. The S(2)-O(5) bond length is 1.48 Å. The S(2)-O(6) bond length is 1.47 Å. In the third S site, S(3) is bonded to one O(12), one O(2), one O(3), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Hg(1)O5 trigonal bipyramid. The S(3)-O(12) bond length is 1.49 Å. The S(3)-O(2) bond length is 1.52 Å. The S(3)-O(3) bond length is 1.45 Å. The S(3)-O(9) bond length is 1.48 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(2) and one S(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Hg(2), one Tl(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Tl(3) and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Hg(1) and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Hg(2) and one S(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Tl(2) and one S(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Hg(2) and one S(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(3) atom. Cl(1) is bonded in a single-bond geometry to one Hg(2) atom.