Cu2CO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. In the second Cu site, Cu(2) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of distorted edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Cu(2), two equivalent Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms.
Cu2CO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. The Cu(1)-O(4) bond length is 1.87 Å. The Cu(1)-O(5) bond length is 1.92 Å. There is one shorter (1.96 Å) and one longer (2.53 Å) Cu(1)-O(1) bond length. There is one shorter (1.96 Å) and one longer (2.40 Å) Cu(1)-O(2) bond length. In the second Cu site, Cu(2) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of distorted edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. The Cu(2)-O(2) bond length is 2.27 Å. The Cu(2)-O(3) bond length is 2.22 Å. There is one shorter (1.88 Å) and one longer (1.96 Å) Cu(2)-O(4) bond length. There is one shorter (1.90 Å) and one longer (1.96 Å) Cu(2)-O(5) bond length. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.31 Å. The C(1)-O(2) bond length is 1.33 Å. The C(1)-O(3) bond length is 1.25 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Cu(2), two equivalent Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms.