LaBaCo2O5 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Co(1)O5 square pyramids. La(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Co(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form CoO5 square pyramids that share corners with five equivalent Co(1)O5 square pyramids and faces with four equivalent Ba(1)O12 cuboctahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted.
LaBaCo2O5 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Co(1)O5 square pyramids. All Ba(1)-O(1) bond lengths are 3.13 Å. All Ba(1)-O(2) bond lengths are 3.06 Å. All Ba(1)-O(3) bond lengths are 2.81 Å. La(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All La(1)-O(1) bond lengths are 2.53 Å. All La(1)-O(2) bond lengths are 2.51 Å. Co(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form CoO5 square pyramids that share corners with five equivalent Co(1)O5 square pyramids and faces with four equivalent Ba(1)O12 cuboctahedra. The Co(1)-O(3) bond length is 1.98 Å. Both Co(1)-O(1) bond lengths are 2.01 Å. Both Co(1)-O(2) bond lengths are 2.05 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted.