CsMg6Cu crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cu(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to two equivalent Mg(4) and one Cu(1) atom. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Mg(4), and two equivalent Cu(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), and four equivalent Mg(1) atoms. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms.
CsMg6Cu crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cu(1) atoms. Both Cs(1)-Mg(3) bond lengths are 3.89 Å. Both Cs(1)-Mg(4) bond lengths are 3.91 Å. Both Cs(1)-Cu(1) bond lengths are 4.05 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to two equivalent Mg(4) and one Cu(1) atom. Both Mg(1)-Mg(4) bond lengths are 3.03 Å. The Mg(1)-Cu(1) bond length is 2.72 Å. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. Both Mg(2)-Cu(1) bond lengths are 3.06 Å. In the third Mg site, Mg(3) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Mg(4), and two equivalent Cu(1) atoms. The Mg(3)-Mg(4) bond length is 3.26 Å. Both Mg(3)-Cu(1) bond lengths are 2.84 Å. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), and four equivalent Mg(1) atoms. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms.