LiMg7 crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form LiMg12 cuboctahedra that share corners with six equivalent Li(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Li2Mg10 cuboctahedra, edges with six equivalent Mg(1)Li2Mg10 cuboctahedra, edges with twelve equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Li2Mg10 cuboctahedra, faces with six equivalent Mg(2)Li2Mg10 cuboctahedra, and faces with six equivalent Mg(3)Mg12 cuboctahedra. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Mg12 cuboctahedra, corners with fourteen equivalent Mg(1)Li2Mg10 cuboctahedra, edges with two equivalent Li(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(3)Mg12 cuboctahedra, edges with eight equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg12 cuboctahedra, faces with six equivalent Mg(1)Li2Mg10 cuboctahedra, and faces with ten equivalent Mg(2)Li2Mg10 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Mg(3)Mg12 cuboctahedra, corners with fourteen equivalent Mg(2)Li2Mg10 cuboctahedra, edges with two equivalent Mg(3)Mg12 cuboctahedra, edges with four equivalent Li(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg12 cuboctahedra, faces with six equivalent Mg(2)Li2Mg10 cuboctahedra, and faces with ten equivalent Mg(1)Li2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(3)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Li2Mg10 cuboctahedra, edges with six equivalent Mg(2)Li2Mg10 cuboctahedra, edges with twelve equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Mg12 cuboctahedra, faces with six equivalent Li(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Li2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Li2Mg10 cuboctahedra.
LiMg7 crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form LiMg12 cuboctahedra that share corners with six equivalent Li(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Li2Mg10 cuboctahedra, edges with six equivalent Mg(1)Li2Mg10 cuboctahedra, edges with twelve equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Li2Mg10 cuboctahedra, faces with six equivalent Mg(2)Li2Mg10 cuboctahedra, and faces with six equivalent Mg(3)Mg12 cuboctahedra. All Li(1)-Mg(1) bond lengths are 3.15 Å. All Li(1)-Mg(2) bond lengths are 3.13 Å. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Mg12 cuboctahedra, corners with fourteen equivalent Mg(1)Li2Mg10 cuboctahedra, edges with two equivalent Li(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(3)Mg12 cuboctahedra, edges with eight equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg12 cuboctahedra, faces with six equivalent Mg(1)Li2Mg10 cuboctahedra, and faces with ten equivalent Mg(2)Li2Mg10 cuboctahedra. Both Mg(1)-Mg(3) bond lengths are 3.14 Å. All Mg(1)-Mg(1) bond lengths are 3.15 Å. All Mg(1)-Mg(2) bond lengths are 3.14 Å. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Mg(3)Mg12 cuboctahedra, corners with fourteen equivalent Mg(2)Li2Mg10 cuboctahedra, edges with two equivalent Mg(3)Mg12 cuboctahedra, edges with four equivalent Li(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg12 cuboctahedra, faces with six equivalent Mg(2)Li2Mg10 cuboctahedra, and faces with ten equivalent Mg(1)Li2Mg10 cuboctahedra. Both Mg(2)-Mg(3) bond lengths are 3.15 Å. There are two shorter (3.13 Å) and two longer (3.18 Å) Mg(2)-Mg(2) bond lengths. In the third Mg site, Mg(3) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(3)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Li2Mg10 cuboctahedra, edges with six equivalent Mg(2)Li2Mg10 cuboctahedra, edges with twelve equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Mg12 cuboctahedra, faces with six equivalent Li(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Li2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Li2Mg10 cuboctahedra.