LaAl3O6 crystallizes in the monoclinic C2/c space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. In the second Al site, Al(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing AlO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent La(1), one Al(1), and one Al(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one La(1) and two equivalent Al(2) atoms.
LaAl3O6 crystallizes in the monoclinic C2/c space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Both La(1)-O(1) bond lengths are 2.36 Å. Both La(1)-O(3) bond lengths are 2.75 Å. There are two shorter (2.53 Å) and two longer (2.81 Å) La(1)-O(2) bond lengths. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. Both Al(1)-O(1) bond lengths are 1.73 Å. Both Al(1)-O(2) bond lengths are 1.76 Å. In the second Al site, Al(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing AlO4 tetrahedra. The Al(2)-O(1) bond length is 1.76 Å. The Al(2)-O(2) bond length is 1.79 Å. There is one shorter (1.80 Å) and one longer (1.82 Å) Al(2)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent La(1), one Al(1), and one Al(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one La(1) and two equivalent Al(2) atoms.