Cu7Hg6 crystallizes in the trigonal R3m space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to one Cu(2), one Cu(5), two equivalent Cu(3), two equivalent Cu(4), one Hg(3), and two equivalent Hg(1) atoms. In the second Cu site, Cu(2) is bonded in a cuboctahedral geometry to three equivalent Cu(1), three equivalent Cu(3), three equivalent Cu(4), and three equivalent Cu(5) atoms. In the third Cu site, Cu(3) is bonded in a distorted q6 geometry to one Cu(2), one Cu(4), two equivalent Cu(1), two equivalent Cu(5), one Hg(3), and two equivalent Hg(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(3), two equivalent Cu(1), and two equivalent Cu(4) atoms. In the fifth Cu site, Cu(5) is bonded in a 12-coordinate geometry to one Cu(1), one Cu(2), one Cu(6), two equivalent Cu(3), two equivalent Cu(5), one Hg(2), two equivalent Hg(1), and two equivalent Hg(3) atoms. In the sixth Cu site, Cu(6) is bonded in a distorted q6 geometry to three equivalent Cu(5), three equivalent Hg(2), and three equivalent Hg(3) atoms. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(3), one Cu(5), one Hg(2), and one Hg(3) atom. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to one Cu(5), one Cu(6), two equivalent Hg(1), and two equivalent Hg(3) atoms. In the third Hg site, Hg(3) is bonded in a 9-coordinate geometry to one Cu(1), one Cu(3), one Cu(6), two equivalent Cu(5), two equivalent Hg(1), and two equivalent Hg(2) atoms.
Cu7Hg6 crystallizes in the trigonal R3m space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to one Cu(2), one Cu(5), two equivalent Cu(3), two equivalent Cu(4), one Hg(3), and two equivalent Hg(1) atoms. The Cu(1)-Cu(2) bond length is 2.41 Å. The Cu(1)-Cu(5) bond length is 2.58 Å. Both Cu(1)-Cu(3) bond lengths are 2.56 Å. Both Cu(1)-Cu(4) bond lengths are 2.55 Å. The Cu(1)-Hg(3) bond length is 2.51 Å. Both Cu(1)-Hg(1) bond lengths are 2.89 Å. In the second Cu site, Cu(2) is bonded in a cuboctahedral geometry to three equivalent Cu(1), three equivalent Cu(3), three equivalent Cu(4), and three equivalent Cu(5) atoms. All Cu(2)-Cu(3) bond lengths are 2.43 Å. All Cu(2)-Cu(4) bond lengths are 2.46 Å. All Cu(2)-Cu(5) bond lengths are 2.54 Å. In the third Cu site, Cu(3) is bonded in a distorted q6 geometry to one Cu(2), one Cu(4), two equivalent Cu(1), two equivalent Cu(5), one Hg(3), and two equivalent Hg(1) atoms. The Cu(3)-Cu(4) bond length is 2.58 Å. Both Cu(3)-Cu(5) bond lengths are 2.59 Å. The Cu(3)-Hg(3) bond length is 2.79 Å. Both Cu(3)-Hg(1) bond lengths are 2.77 Å. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(3), two equivalent Cu(1), and two equivalent Cu(4) atoms. Both Cu(4)-Cu(4) bond lengths are 2.61 Å. In the fifth Cu site, Cu(5) is bonded in a 12-coordinate geometry to one Cu(1), one Cu(2), one Cu(6), two equivalent Cu(3), two equivalent Cu(5), one Hg(2), two equivalent Hg(1), and two equivalent Hg(3) atoms. The Cu(5)-Cu(6) bond length is 2.50 Å. Both Cu(5)-Cu(5) bond lengths are 2.73 Å. The Cu(5)-Hg(2) bond length is 2.92 Å. Both Cu(5)-Hg(1) bond lengths are 2.87 Å. Both Cu(5)-Hg(3) bond lengths are 2.79 Å. In the sixth Cu site, Cu(6) is bonded in a distorted q6 geometry to three equivalent Cu(5), three equivalent Hg(2), and three equivalent Hg(3) atoms. All Cu(6)-Hg(2) bond lengths are 2.76 Å. All Cu(6)-Hg(3) bond lengths are 2.96 Å. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(3), one Cu(5), one Hg(2), and one Hg(3) atom. The Hg(1)-Hg(2) bond length is 2.90 Å. The Hg(1)-Hg(3) bond length is 3.09 Å. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to one Cu(5), one Cu(6), two equivalent Hg(1), and two equivalent Hg(3) atoms. Both Hg(2)-Hg(3) bond lengths are 3.14 Å. In the third Hg site, Hg(3) is bonded in a 9-coordinate geometry to one Cu(1), one Cu(3), one Cu(6), two equivalent Cu(5), two equivalent Hg(1), and two equivalent Hg(2) atoms.