NaLiMg6 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form NaLi2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Li(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Mg(2)Li2Mg10 cuboctahedra. Li(1) is bonded to two equivalent Na(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form LiNa2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(2)Li2Mg10 cuboctahedra, edges with four equivalent Na(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with eight equivalent Mg(3)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Mg(4)Na2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgNa2Li2Mg8 cuboctahedra that share corners with four equivalent Li(1)Na2Mg10 cuboctahedra, corners with four equivalent Mg(2)Li2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with two equivalent Li(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(2)Li2Mg10 cuboctahedra, edges with two equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with four equivalent Na(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, and faces with eight equivalent Mg(3)Na2Li2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Na2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with two equivalent Li(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, edges with eight equivalent Mg(3)Na2Li2Mg8 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Na(1)Li2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Na(1), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgNa2Li2Mg8 cuboctahedra that share corners with four equivalent Na(1)Li2Mg10 cuboctahedra, corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with two equivalent Na(1)Li2Mg10 cuboctahedra, edges with two equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Li(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, and faces with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Na(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(4)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with two equivalent Na(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Mg10 cuboctahedra, edges with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Li(1)Na2Mg10 cuboctahedra.
NaLiMg6 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form NaLi2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Li(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Mg(2)Li2Mg10 cuboctahedra. Both Na(1)-Li(1) bond lengths are 3.21 Å. Both Na(1)-Mg(4) bond lengths are 3.22 Å. All Na(1)-Mg(1) bond lengths are 3.23 Å. There are two shorter (3.20 Å) and two longer (3.24 Å) Na(1)-Mg(3) bond lengths. Li(1) is bonded to two equivalent Na(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form LiNa2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(2)Li2Mg10 cuboctahedra, edges with four equivalent Na(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with eight equivalent Mg(3)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Mg(4)Na2Mg10 cuboctahedra. Both Li(1)-Mg(2) bond lengths are 3.22 Å. There are two shorter (3.18 Å) and two longer (3.26 Å) Li(1)-Mg(1) bond lengths. All Li(1)-Mg(3) bond lengths are 3.20 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgNa2Li2Mg8 cuboctahedra that share corners with four equivalent Li(1)Na2Mg10 cuboctahedra, corners with four equivalent Mg(2)Li2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with two equivalent Li(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(2)Li2Mg10 cuboctahedra, edges with two equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with four equivalent Na(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, and faces with eight equivalent Mg(3)Na2Li2Mg8 cuboctahedra. There is one shorter (3.18 Å) and one longer (3.26 Å) Mg(1)-Mg(1) bond length. There is one shorter (3.22 Å) and one longer (3.23 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.20 Å. Both Mg(1)-Mg(4) bond lengths are 3.21 Å. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Na2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with two equivalent Li(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, edges with eight equivalent Mg(3)Na2Li2Mg8 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Na(1)Li2Mg10 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.22 Å. All Mg(2)-Mg(3) bond lengths are 3.22 Å. In the third Mg site, Mg(3) is bonded to two equivalent Na(1), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgNa2Li2Mg8 cuboctahedra that share corners with four equivalent Na(1)Li2Mg10 cuboctahedra, corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with two equivalent Na(1)Li2Mg10 cuboctahedra, edges with two equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Li(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, and faces with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra. There is one shorter (3.20 Å) and one longer (3.25 Å) Mg(3)-Mg(3) bond length. There is one shorter (3.21 Å) and one longer (3.23 Å) Mg(3)-Mg(4) bond length. In the fourth Mg site, Mg(4) is bonded to two equivalent Na(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(4)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with two equivalent Na(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Mg10 cuboctahedra, edges with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, edges with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(3)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Li(1)Na2Mg10 cuboctahedra.