Hg3ZnSe3Br2 crystallizes in the triclinic P-1 space group. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted square co-planar geometry to two equivalent Se(2) and two equivalent Br(2) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent Se(1) atoms. In the third Hg site, Hg(3) is bonded in a linear geometry to two equivalent Br(1) atoms. In the fourth Hg site, Hg(4) is bonded in a linear geometry to two equivalent Se(2) atoms. In the fifth Hg site, Hg(5) is bonded in a distorted square co-planar geometry to two equivalent Br(1) and two equivalent Br(2) atoms. In the sixth Hg site, Hg(6) is bonded in a linear geometry to two equivalent Se(3) atoms. Zn(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form edge-sharing ZnSe4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one Hg(2) and two equivalent Zn(1) atoms. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one Hg(1), one Hg(4), and one Zn(1) atom. In the third Se site, Se(3) is bonded in a bent 120 degrees geometry to one Hg(6) and one Zn(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in an L-shaped geometry to one Hg(3) and one Hg(5) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Hg(1) and one Hg(5) atom.
Hg3ZnSe3Br2 crystallizes in the triclinic P-1 space group. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted square co-planar geometry to two equivalent Se(2) and two equivalent Br(2) atoms. Both Hg(1)-Se(2) bond lengths are 2.58 Å. Both Hg(1)-Br(2) bond lengths are 3.24 Å. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent Se(1) atoms. Both Hg(2)-Se(1) bond lengths are 2.54 Å. In the third Hg site, Hg(3) is bonded in a linear geometry to two equivalent Br(1) atoms. Both Hg(3)-Br(1) bond lengths are 2.48 Å. In the fourth Hg site, Hg(4) is bonded in a linear geometry to two equivalent Se(2) atoms. Both Hg(4)-Se(2) bond lengths are 2.52 Å. In the fifth Hg site, Hg(5) is bonded in a distorted square co-planar geometry to two equivalent Br(1) and two equivalent Br(2) atoms. Both Hg(5)-Br(1) bond lengths are 3.07 Å. Both Hg(5)-Br(2) bond lengths are 2.59 Å. In the sixth Hg site, Hg(6) is bonded in a linear geometry to two equivalent Se(3) atoms. Both Hg(6)-Se(3) bond lengths are 2.54 Å. Zn(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form edge-sharing ZnSe4 tetrahedra. The Zn(1)-Se(2) bond length is 2.63 Å. The Zn(1)-Se(3) bond length is 2.46 Å. There is one shorter (2.52 Å) and one longer (2.54 Å) Zn(1)-Se(1) bond length. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one Hg(2) and two equivalent Zn(1) atoms. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one Hg(1), one Hg(4), and one Zn(1) atom. In the third Se site, Se(3) is bonded in a bent 120 degrees geometry to one Hg(6) and one Zn(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in an L-shaped geometry to one Hg(3) and one Hg(5) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Hg(1) and one Hg(5) atom.