Zn(CuO2)2 is Spinel structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CuO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Cu(3)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. In the third Cu site, Cu(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Cu(2)O6 octahedra, corners with three equivalent Cu(3)O6 octahedra, and corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OZnCu3 trigonal pyramids. In the second O site, O(2) is bonded to one Cu(3), two equivalent Cu(1), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OZnCu3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Cu(2), two equivalent Cu(1), and one Zn(1) atom.
Zn(CuO2)2 is Spinel structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CuO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. Both Cu(1)-O(1) bond lengths are 2.04 Å. Both Cu(1)-O(2) bond lengths are 2.00 Å. Both Cu(1)-O(3) bond lengths are 1.98 Å. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Cu(3)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. Both Cu(2)-O(3) bond lengths are 2.09 Å. All Cu(2)-O(1) bond lengths are 1.97 Å. In the third Cu site, Cu(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. Both Cu(3)-O(2) bond lengths are 2.02 Å. All Cu(3)-O(1) bond lengths are 2.00 Å. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Cu(2)O6 octahedra, corners with three equivalent Cu(3)O6 octahedra, and corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. The Zn(1)-O(2) bond length is 1.98 Å. The Zn(1)-O(3) bond length is 1.98 Å. Both Zn(1)-O(1) bond lengths are 1.99 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OZnCu3 trigonal pyramids. In the second O site, O(2) is bonded to one Cu(3), two equivalent Cu(1), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OZnCu3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Cu(2), two equivalent Cu(1), and one Zn(1) atom.