CsMg6Al crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form a mixture of corner and face-sharing CsMg10Al2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(3), two equivalent Mg(4), and one Al(1) atom. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent Mg(4) and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 9-coordinate geometry to two equivalent Cs(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Al(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. Al(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), and four equivalent Mg(3) atoms.
CsMg6Al crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form a mixture of corner and face-sharing CsMg10Al2 cuboctahedra. Both Cs(1)-Mg(4) bond lengths are 3.63 Å. All Cs(1)-Mg(1) bond lengths are 3.52 Å. There are two shorter (3.52 Å) and two longer (3.64 Å) Cs(1)-Mg(3) bond lengths. Both Cs(1)-Al(1) bond lengths are 3.57 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(3), two equivalent Mg(4), and one Al(1) atom. The Mg(1)-Mg(1) bond length is 3.00 Å. Both Mg(1)-Mg(3) bond lengths are 3.18 Å. Both Mg(1)-Mg(4) bond lengths are 3.19 Å. The Mg(1)-Al(1) bond length is 2.91 Å. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent Mg(4) and four equivalent Mg(3) atoms. Both Mg(2)-Mg(4) bond lengths are 3.29 Å. All Mg(2)-Mg(3) bond lengths are 3.36 Å. In the third Mg site, Mg(3) is bonded in a 9-coordinate geometry to two equivalent Cs(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Al(1) atoms. The Mg(3)-Mg(3) bond length is 3.36 Å. Both Mg(3)-Al(1) bond lengths are 3.11 Å. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. Al(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), and four equivalent Mg(3) atoms.