CuHgSBr crystallizes in the orthorhombic Pmma space group. Cu(1) is bonded to two equivalent S(1), one Br(1), and one Br(2) atom to form a mixture of edge and corner-sharing CuS2Br2 trigonal pyramids. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1) and two equivalent Br(2) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent S(1) atoms. S(1) is bonded to two equivalent Cu(1), one Hg(1), and one Hg(2) atom to form corner-sharing SCu2Hg2 trigonal pyramids. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Hg(1) atoms.
CuHgSBr crystallizes in the orthorhombic Pmma space group. Cu(1) is bonded to two equivalent S(1), one Br(1), and one Br(2) atom to form a mixture of edge and corner-sharing CuS2Br2 trigonal pyramids. Both Cu(1)-S(1) bond lengths are 2.26 Å. The Cu(1)-Br(1) bond length is 2.91 Å. The Cu(1)-Br(2) bond length is 2.46 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1) and two equivalent Br(2) atoms. Both Hg(1)-S(1) bond lengths are 2.45 Å. Both Hg(1)-Br(2) bond lengths are 3.14 Å. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent S(1) atoms. Both Hg(2)-S(1) bond lengths are 2.44 Å. S(1) is bonded to two equivalent Cu(1), one Hg(1), and one Hg(2) atom to form corner-sharing SCu2Hg2 trigonal pyramids. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Hg(1) atoms.