La2CuO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. La(1) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 6-coordinate geometry to five equivalent La(1) and one Cu(1) atom. In the second O site, O(1) is bonded to four equivalent La(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner, face, and edge-sharing OLa4Cu2 octahedra. The corner-sharing octahedra are not tilted.
La2CuO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. La(1) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. All La(1)-O(1) bond lengths are 2.65 Å. There is one shorter (2.31 Å) and four longer (2.77 Å) La(1)-O(2) bond lengths. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedra are not tilted. Both Cu(1)-O(2) bond lengths are 2.46 Å. All Cu(1)-O(1) bond lengths are 1.91 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 6-coordinate geometry to five equivalent La(1) and one Cu(1) atom. In the second O site, O(1) is bonded to four equivalent La(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner, face, and edge-sharing OLa4Cu2 octahedra. The corner-sharing octahedra are not tilted.