LiMg14Co crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form LiMg12 cuboctahedra that share corners with six equivalent Li(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg10Co2 cuboctahedra, edges with six equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Co(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)Li2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Co(1) atoms to form distorted MgMg10Co2 cuboctahedra that share corners with four equivalent Li(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Mg10Co2 cuboctahedra, corners with eight equivalent Mg(2)Li2Mg10 cuboctahedra, edges with two equivalent Co(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Co2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Co(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Mg10Co2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(2), and four equivalent Mg(3) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Co(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Mg10Co2 cuboctahedra, edges with two equivalent Li(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Li2Mg10 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Li(1)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg10Co2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(2)Li2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), and one Co(1) atom. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with six equivalent Mg(2)Li2Mg10 cuboctahedra, edges with six equivalent Mg(1)Mg10Co2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Li(1)Mg12 cuboctahedra, faces with three equivalent Mg(2)Li2Mg10 cuboctahedra, faces with three equivalent Mg(1)Mg10Co2 cuboctahedra, and faces with three equivalent Co(1)Mg12 cuboctahedra. Co(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form CoMg12 cuboctahedra that share corners with six equivalent Co(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Li2Mg10 cuboctahedra, edges with six equivalent Mg(1)Mg10Co2 cuboctahedra, faces with two equivalent Li(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Mg10Co2 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra.
LiMg14Co crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form LiMg12 cuboctahedra that share corners with six equivalent Li(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg10Co2 cuboctahedra, edges with six equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Co(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)Li2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. All Li(1)-Mg(2) bond lengths are 3.17 Å. All Li(1)-Mg(3) bond lengths are 3.08 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Co(1) atoms to form distorted MgMg10Co2 cuboctahedra that share corners with four equivalent Li(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Mg10Co2 cuboctahedra, corners with eight equivalent Mg(2)Li2Mg10 cuboctahedra, edges with two equivalent Co(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Co2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Co(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Mg10Co2 cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.07 Å. There are two shorter (3.15 Å) and two longer (3.19 Å) Mg(1)-Mg(1) bond lengths. All Mg(1)-Mg(3) bond lengths are 3.00 Å. Both Mg(1)-Co(1) bond lengths are 3.17 Å. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(2), and four equivalent Mg(3) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Co(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Mg10Co2 cuboctahedra, edges with two equivalent Li(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Li2Mg10 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Li(1)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg10Co2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(2)Li2Mg10 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.03 Å. There are two shorter (3.13 Å) and two longer (3.21 Å) Mg(2)-Mg(2) bond lengths. All Mg(2)-Mg(3) bond lengths are 3.14 Å. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), and one Co(1) atom. Both Mg(3)-Mg(4) bond lengths are 3.17 Å. There are two shorter (3.03 Å) and two longer (3.31 Å) Mg(3)-Mg(3) bond lengths. The Mg(3)-Co(1) bond length is 2.92 Å. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with six equivalent Mg(2)Li2Mg10 cuboctahedra, edges with six equivalent Mg(1)Mg10Co2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Li(1)Mg12 cuboctahedra, faces with three equivalent Mg(2)Li2Mg10 cuboctahedra, faces with three equivalent Mg(1)Mg10Co2 cuboctahedra, and faces with three equivalent Co(1)Mg12 cuboctahedra. Co(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form CoMg12 cuboctahedra that share corners with six equivalent Co(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Li2Mg10 cuboctahedra, edges with six equivalent Mg(1)Mg10Co2 cuboctahedra, faces with two equivalent Li(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Mg10Co2 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra.