LiMg crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to two equivalent Li(2), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), two equivalent Li(3), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the third Li site, Li(3) is bonded in a 8-coordinate geometry to two equivalent Li(2), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and two equivalent Li(3) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and two equivalent Li(3) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Li(3) atoms.
LiMg crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to two equivalent Li(2), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms. Both Li(1)-Li(2) bond lengths are 2.91 Å. Both Li(1)-Mg(1) bond lengths are 2.98 Å. Both Li(1)-Mg(2) bond lengths are 2.99 Å. Both Li(1)-Mg(3) bond lengths are 2.95 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), two equivalent Li(3), two equivalent Mg(1), and two equivalent Mg(2) atoms. Both Li(2)-Li(3) bond lengths are 2.88 Å. Both Li(2)-Mg(1) bond lengths are 2.98 Å. Both Li(2)-Mg(2) bond lengths are 3.01 Å. In the third Li site, Li(3) is bonded in a 8-coordinate geometry to two equivalent Li(2), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms. Both Li(3)-Mg(1) bond lengths are 2.95 Å. Both Li(3)-Mg(2) bond lengths are 2.99 Å. Both Li(3)-Mg(3) bond lengths are 2.90 Å. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and two equivalent Li(3) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and two equivalent Li(3) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Li(3) atoms.