La(CuAl5)2 crystallizes in the orthorhombic Fmmm space group. La(1) is bonded in a 20-coordinate geometry to four equivalent Cu(1), four equivalent Al(1), four equivalent Al(3), and eight equivalent Al(2) atoms. Cu(1) is bonded in a 8-coordinate geometry to two equivalent La(1), four equivalent Al(1), and four equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one La(1), two equivalent Cu(1), one Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to two equivalent La(1), two equivalent Cu(1), two equivalent Al(3), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded to two equivalent La(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of face and corner-sharing AlLa2Al10 cuboctahedra.
La(CuAl5)2 crystallizes in the orthorhombic Fmmm space group. La(1) is bonded in a 20-coordinate geometry to four equivalent Cu(1), four equivalent Al(1), four equivalent Al(3), and eight equivalent Al(2) atoms. All La(1)-Cu(1) bond lengths are 3.59 Å. All La(1)-Al(1) bond lengths are 3.24 Å. All La(1)-Al(3) bond lengths are 3.42 Å. All La(1)-Al(2) bond lengths are 3.34 Å. Cu(1) is bonded in a 8-coordinate geometry to two equivalent La(1), four equivalent Al(1), and four equivalent Al(2) atoms. All Cu(1)-Al(1) bond lengths are 2.70 Å. All Cu(1)-Al(2) bond lengths are 2.60 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one La(1), two equivalent Cu(1), one Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. The Al(1)-Al(1) bond length is 2.71 Å. Both Al(1)-Al(3) bond lengths are 2.91 Å. There are a spread of Al(1)-Al(2) bond distances ranging from 2.83-2.89 Å. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to two equivalent La(1), two equivalent Cu(1), two equivalent Al(3), and four equivalent Al(1) atoms. Both Al(2)-Al(3) bond lengths are 2.71 Å. In the third Al site, Al(3) is bonded to two equivalent La(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of face and corner-sharing AlLa2Al10 cuboctahedra. Both Al(3)-Al(3) bond lengths are 2.62 Å.