Ca2CeO4 crystallizes in the orthorhombic Pbam space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Ce(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CeO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and one Ce(1) atom to form a mixture of distorted edge and corner-sharing OCa4Ce square pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Ce(1) atoms.
Ca2CeO4 crystallizes in the orthorhombic Pbam space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There is one shorter (2.33 Å) and one longer (2.49 Å) Ca(1)-O(2) bond length. There are two shorter (2.44 Å) and two longer (2.48 Å) Ca(1)-O(1) bond lengths. Ce(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CeO6 octahedra. Both Ce(1)-O(1) bond lengths are 2.21 Å. All Ce(1)-O(2) bond lengths are 2.29 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and one Ce(1) atom to form a mixture of distorted edge and corner-sharing OCa4Ce square pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Ce(1) atoms.