LiMg6C crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a distorted water-like geometry to two equivalent Mg(4) and two equivalent C(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted L-shaped geometry to one Mg(2) and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Mg(2) and one C(1) atom. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Mg(2) atoms. C(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Mg(3), and four equivalent Mg(1) atoms.
LiMg6C crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a distorted water-like geometry to two equivalent Mg(4) and two equivalent C(1) atoms. Both Li(1)-Mg(4) bond lengths are 3.12 Å. Both Li(1)-C(1) bond lengths are 2.19 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted L-shaped geometry to one Mg(2) and two equivalent C(1) atoms. The Mg(1)-Mg(2) bond length is 3.17 Å. Both Mg(1)-C(1) bond lengths are 2.49 Å. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. Both Mg(2)-Mg(4) bond lengths are 2.96 Å. All Mg(2)-Mg(3) bond lengths are 2.94 Å. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Mg(2) and one C(1) atom. The Mg(3)-C(1) bond length is 2.33 Å. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Mg(2) atoms. C(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Mg(3), and four equivalent Mg(1) atoms.