CCa2CuO5 crystallizes in the orthorhombic Pmm2 space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and two equivalent Cu(1) atoms to form a mixture of corner and edge-sharing OCa4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ca(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Cu(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to four equivalent Ca(1) and one C(1) atom.
CCa2CuO5 crystallizes in the orthorhombic Pmm2 space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Ca(1)-O(1) bond lengths are 2.40 Å. There is one shorter (2.64 Å) and one longer (2.70 Å) Ca(1)-O(2) bond length. Both Ca(1)-O(3) bond lengths are 2.48 Å. Both Ca(1)-O(4) bond lengths are 2.88 Å. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There is one shorter (2.09 Å) and one longer (2.22 Å) Cu(1)-O(1) bond length. Both Cu(1)-O(2) bond lengths are 1.81 Å. Both Cu(1)-O(3) bond lengths are 2.57 Å. C(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. The C(1)-O(4) bond length is 1.29 Å. Both C(1)-O(3) bond lengths are 1.30 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and two equivalent Cu(1) atoms to form a mixture of corner and edge-sharing OCa4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ca(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Cu(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to four equivalent Ca(1) and one C(1) atom.