Mg16Al12Sn crystallizes in the cubic I-43m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to one Mg(2), six equivalent Mg(1), and five equivalent Al(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to three equivalent Mg(1), six equivalent Al(1), and one Sn(1) atom. Al(1) is bonded in a 11-coordinate geometry to two equivalent Mg(2), five equivalent Mg(1), three equivalent Al(1), and one Sn(1) atom. Sn(1) is bonded in a 16-coordinate geometry to four equivalent Mg(2) and twelve equivalent Al(1) atoms.
Mg16Al12Sn crystallizes in the cubic I-43m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to one Mg(2), six equivalent Mg(1), and five equivalent Al(1) atoms. The Mg(1)-Mg(2) bond length is 3.04 Å. There are two shorter (3.14 Å) and four longer (3.17 Å) Mg(1)-Mg(1) bond lengths. There are a spread of Mg(1)-Al(1) bond distances ranging from 2.88-3.15 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to three equivalent Mg(1), six equivalent Al(1), and one Sn(1) atom. All Mg(2)-Al(1) bond lengths are 3.13 Å. The Mg(2)-Sn(1) bond length is 3.16 Å. Al(1) is bonded in a 11-coordinate geometry to two equivalent Mg(2), five equivalent Mg(1), three equivalent Al(1), and one Sn(1) atom. There is one shorter (2.74 Å) and two longer (2.79 Å) Al(1)-Al(1) bond lengths. The Al(1)-Sn(1) bond length is 3.25 Å. Sn(1) is bonded in a 16-coordinate geometry to four equivalent Mg(2) and twelve equivalent Al(1) atoms.