Ag4Hg5S5IBrCl2 crystallizes in the monoclinic P2 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one S(5), two equivalent I(1), and one Cl(1) atom. In the second Ag site, Ag(2) is bonded in a distorted rectangular see-saw-like geometry to one S(6), two equivalent Br(1), and one Cl(2) atom. In the third Ag site, Ag(3) is bonded in a distorted see-saw-like geometry to one S(2), two equivalent S(4), and one I(1) atom. In the fourth Ag site, Ag(4) is bonded in a distorted see-saw-like geometry to one S(1), two equivalent S(3), and one Br(1) atom. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a linear geometry to one S(1) and one S(5) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to one S(2) and one S(6) atom. In the third Hg site, Hg(3) is bonded in a linear geometry to two equivalent S(3) atoms. In the fourth Hg site, Hg(4) is bonded in a linear geometry to two equivalent S(4) atoms. In the fifth Hg site, Hg(5) is bonded in a linear geometry to one S(2) and one S(3) atom. In the sixth Hg site, Hg(6) is bonded in a linear geometry to one S(1) and one S(4) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Ag(4), one Hg(1), and one Hg(6) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Ag(3), one Hg(2), and one Hg(5) atom. In the third S site, S(3) is bonded to two equivalent Ag(4), one Hg(3), and one Hg(5) atom to form corner-sharing SAg2Hg2 tetrahedra. In the fourth S site, S(4) is bonded to two equivalent Ag(3), one Hg(4), and one Hg(6) atom to form corner-sharing SAg2Hg2 tetrahedra. In the fifth S site, S(5) is bonded in a see-saw-like geometry to two equivalent Ag(1) and two equivalent Hg(1) atoms. In the sixth S site, S(6) is bonded in a see-saw-like geometry to two equivalent Ag(2) and two equivalent Hg(2) atoms. I(1) is bonded in a 3-coordinate geometry to one Ag(3) and two equivalent Ag(1) atoms. Br(1) is bonded in a 3-coordinate geometry to one Ag(4) and two equivalent Ag(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ag(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ag(2) atom.
Ag4Hg5S5IBrCl2 crystallizes in the monoclinic P2 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one S(5), two equivalent I(1), and one Cl(1) atom. The Ag(1)-S(5) bond length is 2.75 Å. There is one shorter (2.76 Å) and one longer (3.02 Å) Ag(1)-I(1) bond length. The Ag(1)-Cl(1) bond length is 2.57 Å. In the second Ag site, Ag(2) is bonded in a distorted rectangular see-saw-like geometry to one S(6), two equivalent Br(1), and one Cl(2) atom. The Ag(2)-S(6) bond length is 2.77 Å. There is one shorter (2.63 Å) and one longer (3.00 Å) Ag(2)-Br(1) bond length. The Ag(2)-Cl(2) bond length is 2.57 Å. In the third Ag site, Ag(3) is bonded in a distorted see-saw-like geometry to one S(2), two equivalent S(4), and one I(1) atom. The Ag(3)-S(2) bond length is 2.61 Å. There is one shorter (2.59 Å) and one longer (2.64 Å) Ag(3)-S(4) bond length. The Ag(3)-I(1) bond length is 3.01 Å. In the fourth Ag site, Ag(4) is bonded in a distorted see-saw-like geometry to one S(1), two equivalent S(3), and one Br(1) atom. The Ag(4)-S(1) bond length is 2.60 Å. There is one shorter (2.59 Å) and one longer (2.67 Å) Ag(4)-S(3) bond length. The Ag(4)-Br(1) bond length is 2.94 Å. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a linear geometry to one S(1) and one S(5) atom. The Hg(1)-S(1) bond length is 2.40 Å. The Hg(1)-S(5) bond length is 2.42 Å. In the second Hg site, Hg(2) is bonded in a linear geometry to one S(2) and one S(6) atom. The Hg(2)-S(2) bond length is 2.40 Å. The Hg(2)-S(6) bond length is 2.41 Å. In the third Hg site, Hg(3) is bonded in a linear geometry to two equivalent S(3) atoms. Both Hg(3)-S(3) bond lengths are 2.40 Å. In the fourth Hg site, Hg(4) is bonded in a linear geometry to two equivalent S(4) atoms. Both Hg(4)-S(4) bond lengths are 2.41 Å. In the fifth Hg site, Hg(5) is bonded in a linear geometry to one S(2) and one S(3) atom. The Hg(5)-S(2) bond length is 2.40 Å. The Hg(5)-S(3) bond length is 2.41 Å. In the sixth Hg site, Hg(6) is bonded in a linear geometry to one S(1) and one S(4) atom. The Hg(6)-S(1) bond length is 2.39 Å. The Hg(6)-S(4) bond length is 2.40 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Ag(4), one Hg(1), and one Hg(6) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Ag(3), one Hg(2), and one Hg(5) atom. In the third S site, S(3) is bonded to two equivalent Ag(4), one Hg(3), and one Hg(5) atom to form corner-sharing SAg2Hg2 tetrahedra. In the fourth S site, S(4) is bonded to two equivalent Ag(3), one Hg(4), and one Hg(6) atom to form corner-sharing SAg2Hg2 tetrahedra. In the fifth S site, S(5) is bonded in a see-saw-like geometry to two equivalent Ag(1) and two equivalent Hg(1) atoms. In the sixth S site, S(6) is bonded in a see-saw-like geometry to two equivalent Ag(2) and two equivalent Hg(2) atoms. I(1) is bonded in a 3-coordinate geometry to one Ag(3) and two equivalent Ag(1) atoms. Br(1) is bonded in a 3-coordinate geometry to one Ag(4) and two equivalent Ag(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ag(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ag(2) atom.