Ca(CuO2)2 crystallizes in the orthorhombic Pbcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OCa2Cu2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded to two equivalent Ca(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OCa2Cu2 tetrahedra.
Ca(CuO2)2 crystallizes in the orthorhombic Pbcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Both Ca(1)-O(2) bond lengths are 2.57 Å. There is one shorter (2.33 Å) and one longer (2.36 Å) Ca(1)-O(3) bond length. There are two shorter (2.37 Å) and two longer (2.46 Å) Ca(1)-O(1) bond lengths. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Cu(1)-O(2) bond length is 1.85 Å. The Cu(1)-O(3) bond length is 1.84 Å. Both Cu(1)-O(1) bond lengths are 1.82 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OCa2Cu2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded to two equivalent Ca(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OCa2Cu2 tetrahedra.