CsMg6Cu crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(2), and two equivalent Cu(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Cs(1), two equivalent Mg(3), two equivalent Mg(4), and one Cu(1) atom. In the second Mg site, Mg(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Mg(3), one Mg(4), and two equivalent Cu(1) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. Cu(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), and four equivalent Mg(2) atoms.
CsMg6Cu crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(2), and two equivalent Cu(1) atoms. Both Cs(1)-Mg(1) bond lengths are 3.95 Å. Both Cs(1)-Mg(4) bond lengths are 3.77 Å. All Cs(1)-Mg(2) bond lengths are 3.83 Å. Both Cs(1)-Cu(1) bond lengths are 3.85 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Cs(1), two equivalent Mg(3), two equivalent Mg(4), and one Cu(1) atom. Both Mg(1)-Mg(3) bond lengths are 3.10 Å. Both Mg(1)-Mg(4) bond lengths are 3.05 Å. The Mg(1)-Cu(1) bond length is 2.59 Å. In the second Mg site, Mg(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Mg(3), one Mg(4), and two equivalent Cu(1) atoms. The Mg(2)-Mg(3) bond length is 3.37 Å. The Mg(2)-Mg(4) bond length is 3.04 Å. Both Mg(2)-Cu(1) bond lengths are 2.91 Å. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. Both Mg(3)-Mg(4) bond lengths are 3.12 Å. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. Cu(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), and four equivalent Mg(2) atoms.