KHgSbS3 crystallizes in the monoclinic C2/c space group. K(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing KS6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted see-saw-like geometry to two equivalent S(2) and two equivalent S(3) atoms. In the second Hg site, Hg(2) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent S(3) atoms. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Hg(2), and one Sb(1) atom. In the second S site, S(2) is bonded to three equivalent K(1), one Hg(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing SK3HgSb trigonal bipyramids. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to one K(1), one Hg(1), one Hg(2), and one Sb(1) atom.
KHgSbS3 crystallizes in the monoclinic C2/c space group. K(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing KS6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. The K(1)-S(3) bond length is 3.16 Å. There is one shorter (3.27 Å) and one longer (3.35 Å) K(1)-S(1) bond length. There are a spread of K(1)-S(2) bond distances ranging from 3.21-3.47 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted see-saw-like geometry to two equivalent S(2) and two equivalent S(3) atoms. Both Hg(1)-S(2) bond lengths are 2.54 Å. Both Hg(1)-S(3) bond lengths are 2.76 Å. In the second Hg site, Hg(2) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent S(3) atoms. Both Hg(2)-S(1) bond lengths are 2.49 Å. Both Hg(2)-S(3) bond lengths are 2.85 Å. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. The Sb(1)-S(1) bond length is 2.48 Å. The Sb(1)-S(2) bond length is 2.48 Å. The Sb(1)-S(3) bond length is 2.42 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Hg(2), and one Sb(1) atom. In the second S site, S(2) is bonded to three equivalent K(1), one Hg(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing SK3HgSb trigonal bipyramids. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to one K(1), one Hg(1), one Hg(2), and one Sb(1) atom.