Ca2Co2O5 crystallizes in the orthorhombic Pbam space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Co(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CoO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and two equivalent Co(1) atoms to form edge-sharing OCa4Co2 octahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Co(1) atoms.
Ca2Co2O5 crystallizes in the orthorhombic Pbam space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Both Ca(1)-O(1) bond lengths are 2.54 Å. There are two shorter (2.39 Å) and two longer (2.88 Å) Ca(1)-O(2) bond lengths. There are a spread of Ca(1)-O(3) bond distances ranging from 2.49-2.84 Å. Co(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CoO5 square pyramids. The Co(1)-O(1) bond length is 1.97 Å. There is one shorter (1.87 Å) and one longer (2.03 Å) Co(1)-O(2) bond length. Both Co(1)-O(3) bond lengths are 1.88 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and two equivalent Co(1) atoms to form edge-sharing OCa4Co2 octahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Co(1) atoms.