La2CuO4 crystallizes in the orthorhombic Cmce 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 octahedral tilt angles are 9°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OLa4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 5-coordinate geometry to five equivalent La(1) and one Cu(1) atom.
La2CuO4 crystallizes in the orthorhombic Cmce space group. La(1) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. There are two shorter (2.60 Å) and two longer (2.71 Å) La(1)-O(1) bond lengths. There are a spread of La(1)-O(2) bond distances ranging from 2.32-3.25 Å. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 9°. Both Cu(1)-O(2) bond lengths are 2.47 Å. All Cu(1)-O(1) bond lengths are 1.93 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OLa4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 5-coordinate geometry to five equivalent La(1) and one Cu(1) atom.