LiMg6La crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent La(1) atoms to form distorted LiLa2Mg10 cuboctahedra that share corners with four equivalent La(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)La2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent La(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent Mg(4)La2Mg10 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 La(1) atoms to form distorted MgLi2La2Mg8 cuboctahedra that share corners with four equivalent Li(1)La2Mg10 cuboctahedra, corners with four equivalent La(1)Li2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent Li(1)La2Mg10 cuboctahedra, edges with two equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent La(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent La(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Mg(4)La2Mg10 cuboctahedra, corners with six equivalent Mg(3)Li2Mg10 cuboctahedra, edges with two equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Li(1)La2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent La(1)Li2Mg10 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent La(1) atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent Mg(3)Li2Mg10 cuboctahedra, corners with six equivalent Mg(4)La2Mg10 cuboctahedra, edges with two equivalent Mg(3)Li2Mg10 cuboctahedra, edges with four equivalent La(1)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent Li(1)La2Mg10 cuboctahedra. La(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form LaLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)La2Mg10 cuboctahedra, corners with six equivalent La(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent Li(1)La2Mg10 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent Mg(3)Li2Mg10 cuboctahedra.
LiMg6La crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent La(1) atoms to form distorted LiLa2Mg10 cuboctahedra that share corners with four equivalent La(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)La2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent La(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent Mg(4)La2Mg10 cuboctahedra. Both Li(1)-Mg(3) bond lengths are 3.26 Å. There are two shorter (3.27 Å) and two longer (3.45 Å) Li(1)-Mg(1) bond lengths. All Li(1)-Mg(2) bond lengths are 3.20 Å. Both Li(1)-La(1) bond lengths are 3.35 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 La(1) atoms to form distorted MgLi2La2Mg8 cuboctahedra that share corners with four equivalent Li(1)La2Mg10 cuboctahedra, corners with four equivalent La(1)Li2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent Li(1)La2Mg10 cuboctahedra, edges with two equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent La(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra. There is one shorter (3.25 Å) and one longer (3.45 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 3.21 Å. Both Mg(1)-Mg(3) bond lengths are 3.28 Å. Both Mg(1)-Mg(4) bond lengths are 3.21 Å. There is one shorter (3.35 Å) and one longer (3.37 Å) Mg(1)-La(1) bond length. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent La(1) atoms. There is one shorter (3.20 Å) and one longer (3.50 Å) Mg(2)-Mg(2) bond length. There is one shorter (3.34 Å) and one longer (3.38 Å) Mg(2)-Mg(3) bond length. There is one shorter (3.24 Å) and one longer (3.48 Å) Mg(2)-Mg(4) bond length. Both Mg(2)-La(1) bond lengths are 3.29 Å. In the third Mg site, Mg(3) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Mg(4)La2Mg10 cuboctahedra, corners with six equivalent Mg(3)Li2Mg10 cuboctahedra, edges with two equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Li(1)La2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent La(1)Li2Mg10 cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.35 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent La(1) atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent Mg(3)Li2Mg10 cuboctahedra, corners with six equivalent Mg(4)La2Mg10 cuboctahedra, edges with two equivalent Mg(3)Li2Mg10 cuboctahedra, edges with four equivalent La(1)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent Li(1)La2Mg10 cuboctahedra. Both Mg(4)-La(1) bond lengths are 3.29 Å. La(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form LaLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)La2Mg10 cuboctahedra, corners with six equivalent La(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent Li(1)La2Mg10 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent Mg(3)Li2Mg10 cuboctahedra.