La2Co2O5 crystallizes in the orthorhombic Ima2 space group. La(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. In the second Co site, Co(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) and two equivalent Co(1) atoms to form distorted OLa4Co2 octahedra that share corners with two equivalent O(1)La4Co2 octahedra, corners with four equivalent O(3)La2Co2 tetrahedra, edges with two equivalent O(1)La4Co2 octahedra, and faces with four equivalent O(1)La4Co2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Co(2) atoms to form OLa2Co2 tetrahedra that share corners with eight equivalent O(1)La4Co2 octahedra and corners with two equivalent O(3)La2Co2 tetrahedra. The corner-sharing octahedral tilt angles range from 21-78°.
La2Co2O5 crystallizes in the orthorhombic Ima2 space group. La(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. The La(1)-O(3) bond length is 2.39 Å. There are a spread of La(1)-O(2) bond distances ranging from 2.36-3.03 Å. There are a spread of La(1)-O(1) bond distances ranging from 2.55-2.78 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. Both Co(1)-O(2) bond lengths are 2.29 Å. There are two shorter (2.01 Å) and two longer (2.02 Å) Co(1)-O(1) bond lengths. In the second Co site, Co(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. Both Co(2)-O(2) bond lengths are 1.96 Å. There is one shorter (2.02 Å) and one longer (2.06 Å) Co(2)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) and two equivalent Co(1) atoms to form distorted OLa4Co2 octahedra that share corners with two equivalent O(1)La4Co2 octahedra, corners with four equivalent O(3)La2Co2 tetrahedra, edges with two equivalent O(1)La4Co2 octahedra, and faces with four equivalent O(1)La4Co2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Co(2) atoms to form OLa2Co2 tetrahedra that share corners with eight equivalent O(1)La4Co2 octahedra and corners with two equivalent O(3)La2Co2 tetrahedra. The corner-sharing octahedral tilt angles range from 21-78°.