Mg6LaAl crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and one Al(1) atom. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form MgMg10Al2 cuboctahedra that share corners with six equivalent Mg(2)Mg10Al2 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Al2 cuboctahedra, and faces with six equivalent La(1)Mg10Al2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and two equivalent Al(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent La(1) atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent La(1)Mg10Al2 cuboctahedra, corners with six equivalent Mg(4)La2Mg10 cuboctahedra, edges with two equivalent La(1)Mg10Al2 cuboctahedra, edges with four equivalent Mg(2)Mg10Al2 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Al2 cuboctahedra, and faces with two equivalent La(1)Mg10Al2 cuboctahedra. La(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form LaMg10Al2 cuboctahedra that share corners with four equivalent Mg(4)La2Mg10 cuboctahedra, corners with six equivalent La(1)Mg10Al2 cuboctahedra, edges with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent La(1)Mg10Al2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Al2 cuboctahedra. Al(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and two equivalent La(1) atoms.
Mg6LaAl crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and one Al(1) atom. The Mg(1)-Mg(1) bond length is 3.17 Å. There is one shorter (3.34 Å) and one longer (3.35 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.13 Å. Both Mg(1)-Mg(4) bond lengths are 3.15 Å. Both Mg(1)-La(1) bond lengths are 3.28 Å. The Mg(1)-Al(1) bond length is 3.23 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form MgMg10Al2 cuboctahedra that share corners with six equivalent Mg(2)Mg10Al2 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Al2 cuboctahedra, and faces with six equivalent La(1)Mg10Al2 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.20 Å. All Mg(2)-Mg(3) bond lengths are 3.23 Å. Both Mg(2)-Al(1) bond lengths are 3.35 Å. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and two equivalent Al(1) atoms. There is one shorter (3.23 Å) and one longer (3.47 Å) Mg(3)-Mg(3) bond length. There is one shorter (3.26 Å) and one longer (3.43 Å) Mg(3)-Mg(4) bond length. There is one shorter (3.27 Å) and one longer (3.42 Å) Mg(3)-La(1) bond length. Both Mg(3)-Al(1) bond lengths are 3.16 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent La(1) atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent La(1)Mg10Al2 cuboctahedra, corners with six equivalent Mg(4)La2Mg10 cuboctahedra, edges with two equivalent La(1)Mg10Al2 cuboctahedra, edges with four equivalent Mg(2)Mg10Al2 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Al2 cuboctahedra, and faces with two equivalent La(1)Mg10Al2 cuboctahedra. Both Mg(4)-La(1) bond lengths are 3.35 Å. La(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form LaMg10Al2 cuboctahedra that share corners with four equivalent Mg(4)La2Mg10 cuboctahedra, corners with six equivalent La(1)Mg10Al2 cuboctahedra, edges with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent La(1)Mg10Al2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Al2 cuboctahedra. Both La(1)-Al(1) bond lengths are 3.15 Å. Al(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and two equivalent La(1) atoms.