Co4(CuO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the second Co site, Co(2) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the third Co site, Co(3) is bonded to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the fourth Co site, Co(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(9) atom. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(11), one O(5), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Cu(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Cu(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Cu(1) atom.
Co4(CuO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. The Co(1)-O(10) bond length is 1.97 Å. The Co(1)-O(3) bond length is 1.94 Å. The Co(1)-O(4) bond length is 1.97 Å. The Co(1)-O(5) bond length is 2.02 Å. The Co(1)-O(8) bond length is 2.02 Å. The Co(1)-O(9) bond length is 1.94 Å. In the second Co site, Co(2) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. The Co(2)-O(1) bond length is 1.92 Å. The Co(2)-O(12) bond length is 2.05 Å. The Co(2)-O(2) bond length is 1.92 Å. The Co(2)-O(5) bond length is 1.82 Å. The Co(2)-O(7) bond length is 2.05 Å. The Co(2)-O(8) bond length is 1.82 Å. In the third Co site, Co(3) is bonded to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. The Co(3)-O(11) bond length is 1.93 Å. The Co(3)-O(12) bond length is 1.82 Å. The Co(3)-O(3) bond length is 1.90 Å. The Co(3)-O(6) bond length is 1.93 Å. The Co(3)-O(7) bond length is 1.82 Å. The Co(3)-O(9) bond length is 1.90 Å. In the fourth Co site, Co(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. The Co(4)-O(1) bond length is 1.91 Å. The Co(4)-O(10) bond length is 1.90 Å. The Co(4)-O(11) bond length is 1.88 Å. The Co(4)-O(2) bond length is 1.91 Å. The Co(4)-O(4) bond length is 1.90 Å. The Co(4)-O(6) bond length is 1.88 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(10), one O(12), one O(4), and one O(7) atom. The Cu(1)-O(10) bond length is 1.85 Å. The Cu(1)-O(12) bond length is 1.84 Å. The Cu(1)-O(4) bond length is 1.85 Å. The Cu(1)-O(7) bond length is 1.84 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(9) atom. The Cu(2)-O(1) bond length is 1.85 Å. The Cu(2)-O(2) bond length is 1.85 Å. The Cu(2)-O(3) bond length is 1.86 Å. The Cu(2)-O(9) bond length is 1.86 Å. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(11), one O(5), one O(6), and one O(8) atom. The Cu(3)-O(11) bond length is 1.85 Å. The Cu(3)-O(5) bond length is 1.85 Å. The Cu(3)-O(6) bond length is 1.85 Å. The Cu(3)-O(8) bond length is 1.85 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Cu(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Cu(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Cu(1) atom.