CuZnO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted CuO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Cu(2)O5 trigonal bipyramids. In the second Cu site, Cu(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with four equivalent Cu(1)O4 tetrahedra,  an edgeedge with one Zn(1)O4 tetrahedra, and edges with two equivalent Cu(2)O5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. In the second Zn site, Zn(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Cu(2), two equivalent Cu(1), and one Zn(1) atom to form distorted OZnCu3 tetrahedra that share  a cornercorner with one O(4)Zn2Cu2 tetrahedra, corners with two equivalent O(1)ZnCu3 tetrahedra, corners with four equivalent O(2)Zn2Cu3 trigonal bipyramids, corners with four equivalent O(3)Zn3Cu trigonal pyramids, and  an edgeedge with one O(4)Zn2Cu2 tetrahedra. In the second O site, O(2) is bonded to one Cu(1), two equivalent Cu(2), and two equivalent Zn(2) atoms to form distorted OZn2Cu3 trigonal bipyramids that share corners with four equivalent O(4)Zn2Cu2 tetrahedra, corners with four equivalent O(1)ZnCu3 tetrahedra,  a cornercorner with one O(3)Zn3Cu trigonal pyramid,  an edgeedge with one O(4)Zn2Cu2 tetrahedra, edges with two equivalent O(2)Zn2Cu3 trigonal bipyramids, and  an edgeedge with one O(3)Zn3Cu trigonal pyramid. In the third O site, O(3) is bonded to one Cu(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OZn3Cu trigonal pyramids that share corners with three equivalent O(4)Zn2Cu2 tetrahedra, corners with four equivalent O(1)ZnCu3 tetrahedra,  a cornercorner with one O(2)Zn2Cu3 trigonal bipyramid, corners with two equivalent O(3)Zn3Cu trigonal pyramids, and  an edgeedge with one O(2)Zn2Cu3 trigonal bipyramid. In the fourth O site, O(4) is bonded to two equivalent Cu(2), one Zn(1), and one Zn(2) atom to form OZn2Cu2 tetrahedra that share  a cornercorner with one O(1)ZnCu3 tetrahedra, corners with two equivalent O(4)Zn2Cu2 tetrahedra, corners with four equivalent O(2)Zn2Cu3 trigonal bipyramids, corners with three equivalent O(3)Zn3Cu trigonal pyramids,  an edgeedge with one O(1)ZnCu3 tetrahedra, and  an edgeedge with one O(2)Zn2Cu3 trigonal bipyramid.
CuZnO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted CuO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Cu(2)O5 trigonal bipyramids. The Cu(1)-O(2) bond length is 2.06 Å. The Cu(1)-O(3) bond length is 2.19 Å. There is one shorter (1.87 Å) and one longer (1.89 Å) Cu(1)-O(1) bond length. In the second Cu site, Cu(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with four equivalent Cu(1)O4 tetrahedra,  an edgeedge with one Zn(1)O4 tetrahedra, and edges with two equivalent Cu(2)O5 trigonal bipyramids. The Cu(2)-O(1) bond length is 2.31 Å. There is one shorter (2.02 Å) and one longer (2.09 Å) Cu(2)-O(2) bond length. There is one shorter (1.99 Å) and one longer (2.02 Å) Cu(2)-O(4) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. The Zn(1)-O(1) bond length is 2.01 Å. The Zn(1)-O(4) bond length is 2.04 Å. Both Zn(1)-O(3) bond lengths are 1.96 Å. In the second Zn site, Zn(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. The Zn(2)-O(3) bond length is 1.92 Å. The Zn(2)-O(4) bond length is 1.91 Å. Both Zn(2)-O(2) bond lengths are 2.14 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Cu(2), two equivalent Cu(1), and one Zn(1) atom to form distorted OZnCu3 tetrahedra that share  a cornercorner with one O(4)Zn2Cu2 tetrahedra, corners with two equivalent O(1)ZnCu3 tetrahedra, corners with four equivalent O(2)Zn2Cu3 trigonal bipyramids, corners with four equivalent O(3)Zn3Cu trigonal pyramids, and  an edgeedge with one O(4)Zn2Cu2 tetrahedra. In the second O site, O(2) is bonded to one Cu(1), two equivalent Cu(2), and two equivalent Zn(2) atoms to form distorted OZn2Cu3 trigonal bipyramids that share corners with four equivalent O(4)Zn2Cu2 tetrahedra, corners with four equivalent O(1)ZnCu3 tetrahedra,  a cornercorner with one O(3)Zn3Cu trigonal pyramid,  an edgeedge with one O(4)Zn2Cu2 tetrahedra, edges with two equivalent O(2)Zn2Cu3 trigonal bipyramids, and  an edgeedge with one O(3)Zn3Cu trigonal pyramid. In the third O site, O(3) is bonded to one Cu(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OZn3Cu trigonal pyramids that share corners with three equivalent O(4)Zn2Cu2 tetrahedra, corners with four equivalent O(1)ZnCu3 tetrahedra,  a cornercorner with one O(2)Zn2Cu3 trigonal bipyramid, corners with two equivalent O(3)Zn3Cu trigonal pyramids, and  an edgeedge with one O(2)Zn2Cu3 trigonal bipyramid. In the fourth O site, O(4) is bonded to two equivalent Cu(2), one Zn(1), and one Zn(2) atom to form OZn2Cu2 tetrahedra that share  a cornercorner with one O(1)ZnCu3 tetrahedra, corners with two equivalent O(4)Zn2Cu2 tetrahedra, corners with four equivalent O(2)Zn2Cu3 trigonal bipyramids, corners with three equivalent O(3)Zn3Cu trigonal pyramids,  an edgeedge with one O(1)ZnCu3 tetrahedra, and  an edgeedge with one O(2)Zn2Cu3 trigonal bipyramid.