La2Al3Sn is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent Al(3), four equivalent Al(1), four equivalent Al(2), and two equivalent Sn(1) atoms to form LaAl10Sn2 cuboctahedra that share edges with four equivalent La(1)Al10Sn2 cuboctahedra, edges with eight equivalent La(2)Al8Sn4 cuboctahedra, faces with four equivalent La(1)Al10Sn2 cuboctahedra, and faces with four equivalent La(2)Al8Sn4 cuboctahedra. In the second La site, La(2) is bonded to two equivalent Al(1), two equivalent Al(2), four equivalent Al(3), and four equivalent Sn(1) atoms to form LaAl8Sn4 cuboctahedra that share edges with four equivalent La(2)Al8Sn4 cuboctahedra, edges with eight equivalent La(1)Al10Sn2 cuboctahedra, faces with four equivalent La(1)Al10Sn2 cuboctahedra, and faces with four equivalent La(2)Al8Sn4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), one Al(2), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), one Al(1), and two equivalent Sn(1) atoms. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), two equivalent Al(1), and one Sn(1) atom. Sn(1) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Al(3), and two equivalent Al(2) atoms.
La2Al3Sn is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent Al(3), four equivalent Al(1), four equivalent Al(2), and two equivalent Sn(1) atoms to form LaAl10Sn2 cuboctahedra that share edges with four equivalent La(1)Al10Sn2 cuboctahedra, edges with eight equivalent La(2)Al8Sn4 cuboctahedra, faces with four equivalent La(1)Al10Sn2 cuboctahedra, and faces with four equivalent La(2)Al8Sn4 cuboctahedra. Both La(1)-Al(3) bond lengths are 3.36 Å. All La(1)-Al(1) bond lengths are 3.44 Å. All La(1)-Al(2) bond lengths are 3.40 Å. Both La(1)-Sn(1) bond lengths are 3.47 Å. In the second La site, La(2) is bonded to two equivalent Al(1), two equivalent Al(2), four equivalent Al(3), and four equivalent Sn(1) atoms to form LaAl8Sn4 cuboctahedra that share edges with four equivalent La(2)Al8Sn4 cuboctahedra, edges with eight equivalent La(1)Al10Sn2 cuboctahedra, faces with four equivalent La(1)Al10Sn2 cuboctahedra, and faces with four equivalent La(2)Al8Sn4 cuboctahedra. Both La(2)-Al(1) bond lengths are 3.39 Å. Both La(2)-Al(2) bond lengths are 3.53 Å. All La(2)-Al(3) bond lengths are 3.45 Å. All La(2)-Sn(1) bond lengths are 3.43 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), one Al(2), and two equivalent Al(3) atoms. The Al(1)-Al(2) bond length is 2.54 Å. Both Al(1)-Al(3) bond lengths are 2.54 Å. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), one Al(1), and two equivalent Sn(1) atoms. Both Al(2)-Sn(1) bond lengths are 2.66 Å. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), two equivalent Al(1), and one Sn(1) atom. The Al(3)-Sn(1) bond length is 2.66 Å. Sn(1) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Al(3), and two equivalent Al(2) atoms.