LiMg6Zn is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Zn(1) atoms to form LiMg10Zn2 cuboctahedra that share corners with four equivalent Zn(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)Mg10Zn2 cuboctahedra, corners with eight equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Zn(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with eight equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, faces with two equivalent Li(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent Zn(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, and faces with six equivalent Mg(3)Mg10Zn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Zn(1) atoms to form distorted MgLi2Mg8Zn2 cuboctahedra that share corners with four equivalent Li(1)Mg10Zn2 cuboctahedra, corners with four equivalent Zn(1)Li2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Li(1)Mg10Zn2 cuboctahedra, edges with two equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Zn(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra, faces with two equivalent Li(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, and faces with eight equivalent Mg(2)Li2Mg8Zn2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Zn(1) atoms to form distorted MgLi2Mg8Zn2 cuboctahedra that share corners with four equivalent Mg(4)Li2Mg10 cuboctahedra, corners with four equivalent Mg(3)Mg10Zn2 cuboctahedra, corners with ten equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(4)Li2Mg10 cuboctahedra, edges with two equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(3)Mg10Zn2 cuboctahedra, edges with four equivalent Li(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with four equivalent Zn(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, and faces with eight equivalent Mg(1)Li2Mg8Zn2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Zn(1) atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with four equivalent Mg(4)Li2Mg10 cuboctahedra, corners with six equivalent Mg(3)Mg10Zn2 cuboctahedra, corners with eight equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with four equivalent Zn(1)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, and faces with six equivalent Li(1)Mg10Zn2 cuboctahedra. In the fourth Mg site, Mg(4) 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)Mg10Zn2 cuboctahedra, corners with six equivalent Mg(4)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(3)Mg10Zn2 cuboctahedra, edges with four equivalent Li(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with eight equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, faces with two equivalent Li(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra, faces with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, and faces with six equivalent Zn(1)Li2Mg10 cuboctahedra. Zn(1) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form ZnLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Mg10Zn2 cuboctahedra, corners with six equivalent Zn(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Li(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra, edges with eight equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, faces with two equivalent Li(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra.
LiMg6Zn is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Zn(1) atoms to form LiMg10Zn2 cuboctahedra that share corners with four equivalent Zn(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)Mg10Zn2 cuboctahedra, corners with eight equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Zn(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with eight equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, faces with two equivalent Li(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent Zn(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, and faces with six equivalent Mg(3)Mg10Zn2 cuboctahedra. Both Li(1)-Mg(4) bond lengths are 3.08 Å. There are two shorter (3.10 Å) and two longer (3.13 Å) Li(1)-Mg(1) bond lengths. All Li(1)-Mg(2) bond lengths are 3.10 Å. Both Li(1)-Zn(1) bond lengths are 3.14 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Zn(1) atoms to form distorted MgLi2Mg8Zn2 cuboctahedra that share corners with four equivalent Li(1)Mg10Zn2 cuboctahedra, corners with four equivalent Zn(1)Li2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Li(1)Mg10Zn2 cuboctahedra, edges with two equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Zn(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra, faces with two equivalent Li(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, and faces with eight equivalent Mg(2)Li2Mg8Zn2 cuboctahedra. There is one shorter (3.12 Å) and one longer (3.16 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 3.11 Å. Both Mg(1)-Mg(3) bond lengths are 3.11 Å. Both Mg(1)-Mg(4) bond lengths are 3.10 Å. There is one shorter (3.11 Å) and one longer (3.12 Å) Mg(1)-Zn(1) bond length. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Zn(1) atoms to form distorted MgLi2Mg8Zn2 cuboctahedra that share corners with four equivalent Mg(4)Li2Mg10 cuboctahedra, corners with four equivalent Mg(3)Mg10Zn2 cuboctahedra, corners with ten equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(4)Li2Mg10 cuboctahedra, edges with two equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(3)Mg10Zn2 cuboctahedra, edges with four equivalent Li(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with four equivalent Zn(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, and faces with eight equivalent Mg(1)Li2Mg8Zn2 cuboctahedra. There is one shorter (3.12 Å) and one longer (3.16 Å) Mg(2)-Mg(2) bond length. There is one shorter (3.05 Å) and one longer (3.17 Å) Mg(2)-Mg(3) bond length. There is one shorter (3.07 Å) and one longer (3.15 Å) Mg(2)-Mg(4) bond length. Both Mg(2)-Zn(1) bond lengths are 3.09 Å. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Zn(1) atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with four equivalent Mg(4)Li2Mg10 cuboctahedra, corners with six equivalent Mg(3)Mg10Zn2 cuboctahedra, corners with eight equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with four equivalent Zn(1)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, and faces with six equivalent Li(1)Mg10Zn2 cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.14 Å. Both Mg(3)-Zn(1) bond lengths are 3.08 Å. In the fourth Mg site, Mg(4) 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)Mg10Zn2 cuboctahedra, corners with six equivalent Mg(4)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Mg(3)Mg10Zn2 cuboctahedra, edges with four equivalent Li(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, edges with eight equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, faces with two equivalent Li(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra, faces with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, and faces with six equivalent Zn(1)Li2Mg10 cuboctahedra. Zn(1) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form ZnLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Mg10Zn2 cuboctahedra, corners with six equivalent Zn(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with two equivalent Li(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra, edges with eight equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, faces with two equivalent Li(1)Mg10Zn2 cuboctahedra, faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Mg8Zn2 cuboctahedra, faces with four equivalent Mg(2)Li2Mg8Zn2 cuboctahedra, and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra.