CoCuCO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(6), two equivalent O(7), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the second Co site, Co(2) is bonded to one O(4), one O(5), two equivalent O(10), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(10), one O(7), two equivalent O(1), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the second Cu site, Cu(2) is bonded to one O(8), one O(9), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. There are ten 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 3-coordinate geometry to two equivalent Cu(2) and one C(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Cu(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Co(2), two equivalent Cu(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one C(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one C(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Co(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Co(2) and one Cu(2) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to two equivalent Co(1) and one Cu(2) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to two equivalent Co(2) and one Cu(1) atom.
CoCuCO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(6), two equivalent O(7), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. The Co(1)-O(3) bond length is 1.95 Å. The Co(1)-O(6) bond length is 1.94 Å. There is one shorter (1.89 Å) and one longer (1.93 Å) Co(1)-O(7) bond length. There is one shorter (1.92 Å) and one longer (1.93 Å) Co(1)-O(9) bond length. In the second Co site, Co(2) is bonded to one O(4), one O(5), two equivalent O(10), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. The Co(2)-O(4) bond length is 2.17 Å. The Co(2)-O(5) bond length is 2.09 Å. There is one shorter (1.95 Å) and one longer (1.96 Å) Co(2)-O(10) bond length. There is one shorter (1.89 Å) and one longer (1.92 Å) Co(2)-O(8) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(10), one O(7), two equivalent O(1), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. The Cu(1)-O(10) bond length is 1.90 Å. The Cu(1)-O(7) bond length is 1.85 Å. There is one shorter (1.91 Å) and one longer (2.41 Å) Cu(1)-O(1) bond length. There is one shorter (1.96 Å) and one longer (2.45 Å) Cu(1)-O(4) bond length. In the second Cu site, Cu(2) is bonded to one O(8), one O(9), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. The Cu(2)-O(8) bond length is 1.86 Å. The Cu(2)-O(9) bond length is 1.89 Å. There is one shorter (1.93 Å) and one longer (2.41 Å) Cu(2)-O(2) bond length. There is one shorter (2.00 Å) and one longer (2.47 Å) Cu(2)-O(3) bond length. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(3) bond length is 1.35 Å. The C(1)-O(5) bond length is 1.25 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. The C(2)-O(2) bond length is 1.30 Å. The C(2)-O(4) bond length is 1.33 Å. The C(2)-O(6) bond length is 1.26 Å. There are ten 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 3-coordinate geometry to two equivalent Cu(2) and one C(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Cu(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Co(2), two equivalent Cu(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one C(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one C(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Co(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Co(2) and one Cu(2) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to two equivalent Co(1) and one Cu(2) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to two equivalent Co(2) and one Cu(1) atom.