CuZnO2 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(6), and one O(8) atom. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(6), and one O(8) atom. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(1) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted see-saw-like geometry to one O(4), one O(6), and two equivalent O(7) atoms. In the second Zn site, Zn(2) is bonded to one O(1), one O(8), and two equivalent O(5) atoms to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Zn(4)O4 tetrahedra,  a cornercorner with one Zn(3)O5 trigonal bipyramid, corners with two equivalent Zn(2)O4 trigonal pyramids, and  an edgeedge with one Zn(3)O5 trigonal bipyramid. In the third Zn site, Zn(3) is bonded to one O(5), one O(7), one O(8), and two equivalent O(3) atoms to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(3)O5 trigonal bipyramids,  a cornercorner with one Zn(2)O4 trigonal pyramid, and  an edgeedge with one Zn(2)O4 trigonal pyramid. In the fourth Zn site, Zn(4) is bonded to one O(5), one O(6), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(4)O4 tetrahedra,  a cornercorner with one Zn(3)O5 trigonal bipyramid, and corners with two equivalent Zn(2)O4 trigonal pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Cu(3), two equivalent Cu(4), and one Zn(2) atom to form distorted OZnCu3 tetrahedra that share  a cornercorner with one O(2)Zn2Cu2 tetrahedra, corners with two equivalent O(1)ZnCu3 tetrahedra, corners with two equivalent O(3)Zn2Cu2 trigonal pyramids, corners with two equivalent O(8)Zn2Cu2 trigonal pyramids, and corners with two equivalent O(5)Zn4 trigonal pyramids. In the second O site, O(2) is bonded to one Cu(1), one Cu(3), and two equivalent Zn(4) atoms to form OZn2Cu2 tetrahedra that share  a cornercorner with one O(1)ZnCu3 tetrahedra, corners with two equivalent O(2)Zn2Cu2 tetrahedra, corners with two equivalent O(4)ZnCu3 tetrahedra,  a cornercorner with one O(8)Zn2Cu2 trigonal pyramid, and corners with two equivalent O(5)Zn4 trigonal pyramids. In the third O site, O(3) is bonded to one Cu(2), one Cu(4), and two equivalent Zn(3) atoms to form distorted OZn2Cu2 trigonal pyramids that share  a cornercorner with one O(4)ZnCu3 tetrahedra, corners with two equivalent O(1)ZnCu3 tetrahedra,  a cornercorner with one O(8)Zn2Cu2 trigonal pyramid, corners with two equivalent O(3)Zn2Cu2 trigonal pyramids, corners with two equivalent O(5)Zn4 trigonal pyramids, and  an edgeedge with one O(8)Zn2Cu2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Cu(2), two equivalent Cu(1), and one Zn(1) atom to form OZnCu3 tetrahedra that share corners with two equivalent O(2)Zn2Cu2 tetrahedra, corners with two equivalent O(4)ZnCu3 tetrahedra,  a cornercorner with one O(3)Zn2Cu2 trigonal pyramid, and  a cornercorner with one O(8)Zn2Cu2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Zn(3), one Zn(4), and two equivalent Zn(2) atoms to form OZn4 trigonal pyramids that share corners with two equivalent O(2)Zn2Cu2 tetrahedra, corners with two equivalent O(1)ZnCu3 tetrahedra,  a cornercorner with one O(8)Zn2Cu2 trigonal pyramid, corners with two equivalent O(3)Zn2Cu2 trigonal pyramids, corners with two equivalent O(5)Zn4 trigonal pyramids, and  an edgeedge with one O(8)Zn2Cu2 trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Cu(2), one Cu(3), one Zn(1), and one Zn(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Zn(3) and two equivalent Zn(1) atoms. In the eighth O site, O(8) is bonded to one Cu(2), one Cu(3), one Zn(2), and one Zn(3) atom to form distorted OZn2Cu2 trigonal pyramids that share  a cornercorner with one O(2)Zn2Cu2 tetrahedra,  a cornercorner with one O(4)ZnCu3 tetrahedra, corners with two equivalent O(1)ZnCu3 tetrahedra,  a cornercorner with one O(3)Zn2Cu2 trigonal pyramid,  a cornercorner with one O(5)Zn4 trigonal pyramid,  an edgeedge with one O(3)Zn2Cu2 trigonal pyramid, and  an edgeedge with one O(5)Zn4 trigonal pyramid.
CuZnO2 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. The Cu(1)-O(2) bond length is 1.89 Å. There is one shorter (1.88 Å) and one longer (2.02 Å) Cu(1)-O(4) bond length. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(6), and one O(8) atom. The Cu(2)-O(3) bond length is 1.91 Å. The Cu(2)-O(4) bond length is 1.91 Å. The Cu(2)-O(6) bond length is 1.96 Å. The Cu(2)-O(8) bond length is 1.89 Å. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(6), and one O(8) atom. The Cu(3)-O(1) bond length is 1.96 Å. The Cu(3)-O(2) bond length is 1.91 Å. The Cu(3)-O(6) bond length is 1.97 Å. The Cu(3)-O(8) bond length is 1.90 Å. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(1) atoms. The Cu(4)-O(3) bond length is 1.90 Å. There is one shorter (1.90 Å) and one longer (2.11 Å) Cu(4)-O(1) bond length. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted see-saw-like geometry to one O(4), one O(6), and two equivalent O(7) atoms. The Zn(1)-O(4) bond length is 2.04 Å. The Zn(1)-O(6) bond length is 2.18 Å. There is one shorter (1.92 Å) and one longer (1.93 Å) Zn(1)-O(7) bond length. In the second Zn site, Zn(2) is bonded to one O(1), one O(8), and two equivalent O(5) atoms to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Zn(4)O4 tetrahedra,  a cornercorner with one Zn(3)O5 trigonal bipyramid, corners with two equivalent Zn(2)O4 trigonal pyramids, and  an edgeedge with one Zn(3)O5 trigonal bipyramid. The Zn(2)-O(1) bond length is 2.01 Å. The Zn(2)-O(8) bond length is 2.10 Å. There is one shorter (1.98 Å) and one longer (1.99 Å) Zn(2)-O(5) bond length. In the third Zn site, Zn(3) is bonded to one O(5), one O(7), one O(8), and two equivalent O(3) atoms to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(3)O5 trigonal bipyramids,  a cornercorner with one Zn(2)O4 trigonal pyramid, and  an edgeedge with one Zn(2)O4 trigonal pyramid. The Zn(3)-O(5) bond length is 2.22 Å. The Zn(3)-O(7) bond length is 1.94 Å. The Zn(3)-O(8) bond length is 2.13 Å. There is one shorter (2.05 Å) and one longer (2.10 Å) Zn(3)-O(3) bond length. In the fourth Zn site, Zn(4) is bonded to one O(5), one O(6), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(4)O4 tetrahedra,  a cornercorner with one Zn(3)O5 trigonal bipyramid, and corners with two equivalent Zn(2)O4 trigonal pyramids. The Zn(4)-O(5) bond length is 1.91 Å. The Zn(4)-O(6) bond length is 2.03 Å. There is one shorter (2.01 Å) and one longer (2.06 Å) Zn(4)-O(2) bond length. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Cu(3), two equivalent Cu(4), and one Zn(2) atom to form distorted OZnCu3 tetrahedra that share  a cornercorner with one O(2)Zn2Cu2 tetrahedra, corners with two equivalent O(1)ZnCu3 tetrahedra, corners with two equivalent O(3)Zn2Cu2 trigonal pyramids, corners with two equivalent O(8)Zn2Cu2 trigonal pyramids, and corners with two equivalent O(5)Zn4 trigonal pyramids. In the second O site, O(2) is bonded to one Cu(1), one Cu(3), and two equivalent Zn(4) atoms to form OZn2Cu2 tetrahedra that share  a cornercorner with one O(1)ZnCu3 tetrahedra, corners with two equivalent O(2)Zn2Cu2 tetrahedra, corners with two equivalent O(4)ZnCu3 tetrahedra,  a cornercorner with one O(8)Zn2Cu2 trigonal pyramid, and corners with two equivalent O(5)Zn4 trigonal pyramids. In the third O site, O(3) is bonded to one Cu(2), one Cu(4), and two equivalent Zn(3) atoms to form distorted OZn2Cu2 trigonal pyramids that share  a cornercorner with one O(4)ZnCu3 tetrahedra, corners with two equivalent O(1)ZnCu3 tetrahedra,  a cornercorner with one O(8)Zn2Cu2 trigonal pyramid, corners with two equivalent O(3)Zn2Cu2 trigonal pyramids, corners with two equivalent O(5)Zn4 trigonal pyramids, and  an edgeedge with one O(8)Zn2Cu2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Cu(2), two equivalent Cu(1), and one Zn(1) atom to form OZnCu3 tetrahedra that share corners with two equivalent O(2)Zn2Cu2 tetrahedra, corners with two equivalent O(4)ZnCu3 tetrahedra,  a cornercorner with one O(3)Zn2Cu2 trigonal pyramid, and  a cornercorner with one O(8)Zn2Cu2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Zn(3), one Zn(4), and two equivalent Zn(2) atoms to form OZn4 trigonal pyramids that share corners with two equivalent O(2)Zn2Cu2 tetrahedra, corners with two equivalent O(1)ZnCu3 tetrahedra,  a cornercorner with one O(8)Zn2Cu2 trigonal pyramid, corners with two equivalent O(3)Zn2Cu2 trigonal pyramids, corners with two equivalent O(5)Zn4 trigonal pyramids, and  an edgeedge with one O(8)Zn2Cu2 trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Cu(2), one Cu(3), one Zn(1), and one Zn(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Zn(3) and two equivalent Zn(1) atoms. In the eighth O site, O(8) is bonded to one Cu(2), one Cu(3), one Zn(2), and one Zn(3) atom to form distorted OZn2Cu2 trigonal pyramids that share  a cornercorner with one O(2)Zn2Cu2 tetrahedra,  a cornercorner with one O(4)ZnCu3 tetrahedra, corners with two equivalent O(1)ZnCu3 tetrahedra,  a cornercorner with one O(3)Zn2Cu2 trigonal pyramid,  a cornercorner with one O(5)Zn4 trigonal pyramid,  an edgeedge with one O(3)Zn2Cu2 trigonal pyramid, and  an edgeedge with one O(5)Zn4 trigonal pyramid.