Li(Mg4Al3)4 crystallizes in the cubic I-43m space group. Li(1) is bonded in a 16-coordinate geometry to four equivalent Mg(2) and twelve equivalent Al(1) atoms. 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 one Li(1), three equivalent Mg(1), and six equivalent Al(1) atoms. Al(1) is bonded in a 11-coordinate geometry to one Li(1), two equivalent Mg(2), five equivalent Mg(1), and three equivalent Al(1) atoms.
Li(Mg4Al3)4 crystallizes in the cubic I-43m space group. Li(1) is bonded in a 16-coordinate geometry to four equivalent Mg(2) and twelve equivalent Al(1) atoms. All Li(1)-Mg(2) bond lengths are 3.08 Å. All Li(1)-Al(1) bond lengths are 3.21 Å. 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 3.06 Å. There are two shorter (3.14 Å) and four longer (3.16 Å) Mg(1)-Mg(1) bond lengths. There are a spread of Mg(1)-Al(1) bond distances ranging from 2.90-3.16 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Li(1), three equivalent Mg(1), and six equivalent Al(1) atoms. All Mg(2)-Al(1) bond lengths are 3.07 Å. Al(1) is bonded in a 11-coordinate geometry to one Li(1), two equivalent Mg(2), five equivalent Mg(1), and three equivalent Al(1) atoms. There is one shorter (2.70 Å) and two longer (2.77 Å) Al(1)-Al(1) bond lengths.