Co2Zn(CuO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-49°. In the second Co site, Co(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form CoO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 58-61°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(8) atom. Zn(1) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one Co(1), one Cu(1), and one Zn(1) atom. In the second O site, O(8) is bonded in a trigonal planar geometry to one Co(2), one Cu(2), and one Zn(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Cu(1), and one Zn(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Co(1) and one Cu(2) atom. In the fifth O site, O(3) is bonded to one Co(2), one Cu(1), and two equivalent Zn(1) atoms to form distorted edge-sharing OZn2CoCu tetrahedra. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Cu(2), and one Zn(1) atom. In the seventh O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one Cu(1) atom. In the eighth O site, O(6) is bonded in a trigonal planar geometry to one Co(2), one Cu(1), and one Cu(2) atom.
Co2Zn(CuO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-49°. The Co(1)-O(1) bond length is 1.79 Å. The Co(1)-O(2) bond length is 1.75 Å. The Co(1)-O(4) bond length is 1.80 Å. The Co(1)-O(7) bond length is 1.71 Å. In the second Co site, Co(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form CoO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 58-61°. The Co(2)-O(3) bond length is 1.88 Å. The Co(2)-O(5) bond length is 1.76 Å. The Co(2)-O(6) bond length is 1.86 Å. The Co(2)-O(8) bond length is 1.81 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. The Cu(1)-O(1) bond length is 1.89 Å. The Cu(1)-O(3) bond length is 1.95 Å. The Cu(1)-O(5) bond length is 1.84 Å. The Cu(1)-O(6) bond length is 1.91 Å. The Cu(1)-O(7) bond length is 2.20 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(8) atom. The Cu(2)-O(2) bond length is 1.86 Å. The Cu(2)-O(4) bond length is 1.87 Å. The Cu(2)-O(6) bond length is 1.89 Å. The Cu(2)-O(8) bond length is 1.86 Å. Zn(1) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. The Zn(1)-O(1) bond length is 2.08 Å. The Zn(1)-O(4) bond length is 2.14 Å. The Zn(1)-O(7) bond length is 2.07 Å. The Zn(1)-O(8) bond length is 2.01 Å. There is one shorter (2.06 Å) and one longer (2.20 Å) Zn(1)-O(3) bond length. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one Co(1), one Cu(1), and one Zn(1) atom. In the second O site, O(8) is bonded in a trigonal planar geometry to one Co(2), one Cu(2), and one Zn(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Cu(1), and one Zn(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Co(1) and one Cu(2) atom. In the fifth O site, O(3) is bonded to one Co(2), one Cu(1), and two equivalent Zn(1) atoms to form distorted edge-sharing OZn2CoCu tetrahedra. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Cu(2), and one Zn(1) atom. In the seventh O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one Cu(1) atom. In the eighth O site, O(6) is bonded in a trigonal planar geometry to one Co(2), one Cu(1), and one Cu(2) atom.