Zn(CuO2)2 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2) and three equivalent O(1) atoms to form CuO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and corners with nine equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Cu site, Cu(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with three equivalent Cu(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3) and three equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and corners with nine equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the second Zn site, Zn(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with three equivalent Cu(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with six equivalent Cu(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), two equivalent Cu(2), and one Zn(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1) and three equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to three equivalent Cu(2) and one Zn(1) atom. In the fourth O site, O(4) is bonded to two equivalent Cu(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OZn2Cu2 trigonal pyramids.
Zn(CuO2)2 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2) and three equivalent O(1) atoms to form CuO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and corners with nine equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. The Cu(1)-O(2) bond length is 1.88 Å. All Cu(1)-O(1) bond lengths are 1.98 Å. In the second Cu site, Cu(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with three equivalent Cu(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. The Cu(2)-O(2) bond length is 2.10 Å. The Cu(2)-O(3) bond length is 2.08 Å. Both Cu(2)-O(1) bond lengths are 1.95 Å. Both Cu(2)-O(4) bond lengths are 1.95 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3) and three equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and corners with nine equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. The Zn(1)-O(3) bond length is 1.97 Å. All Zn(1)-O(4) bond lengths are 1.98 Å. In the second Zn site, Zn(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with three equivalent Cu(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with six equivalent Cu(2)O6 octahedra. All Zn(2)-O(1) bond lengths are 2.11 Å. All Zn(2)-O(4) bond lengths are 2.08 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), two equivalent Cu(2), and one Zn(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1) and three equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to three equivalent Cu(2) and one Zn(1) atom. In the fourth O site, O(4) is bonded to two equivalent Cu(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OZn2Cu2 trigonal pyramids.