CoZnO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted CoO4 trigonal pyramids that share corners with four equivalent Co(2)O5 trigonal bipyramids, corners with two equivalent Co(1)O4 trigonal pyramids, and corners with four equivalent Zn(1)O4 trigonal pyramids. In the second Co site, Co(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O4 trigonal pyramid, corners with four equivalent Co(1)O4 trigonal pyramids, edges with two equivalent Co(2)O5 trigonal bipyramids, and  an edgeedge with one Zn(1)O4 trigonal pyramid. 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 trigonal pyramids that share  a cornercorner with one Co(2)O5 trigonal bipyramid, corners with two equivalent Zn(1)O4 trigonal pyramids, corners with four equivalent Co(1)O4 trigonal pyramids, and  an edgeedge with one Co(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 Co(2), two equivalent Co(1), and one Zn(1) atom to form distorted OZnCo3 tetrahedra that share corners with two equivalent O(1)ZnCo3 tetrahedra, corners with four equivalent O(2)Zn2Co3 trigonal bipyramids,  a cornercorner with one O(4)Zn2Co2 trigonal pyramid, corners with four equivalent O(3)Zn3Co trigonal pyramids, and  an edgeedge with one O(4)Zn2Co2 trigonal pyramid. In the second O site, O(2) is bonded to one Co(1), two equivalent Co(2), and two equivalent Zn(2) atoms to form distorted OZn2Co3 trigonal bipyramids that share corners with four equivalent O(1)ZnCo3 tetrahedra,  a cornercorner with one O(3)Zn3Co trigonal pyramid, corners with four equivalent O(4)Zn2Co2 trigonal pyramids, edges with two equivalent O(2)Zn2Co3 trigonal bipyramids,  an edgeedge with one O(4)Zn2Co2 trigonal pyramid, and  an edgeedge with one O(3)Zn3Co trigonal pyramid. In the third O site, O(3) is bonded to one Co(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OZn3Co trigonal pyramids that share corners with four equivalent O(1)ZnCo3 tetrahedra,  a cornercorner with one O(2)Zn2Co3 trigonal bipyramid, corners with two equivalent O(3)Zn3Co trigonal pyramids, corners with three equivalent O(4)Zn2Co2 trigonal pyramids, and  an edgeedge with one O(2)Zn2Co3 trigonal bipyramid. In the fourth O site, O(4) is bonded to two equivalent Co(2), one Zn(1), and one Zn(2) atom to form distorted OZn2Co2 trigonal pyramids that share  a cornercorner with one O(1)ZnCo3 tetrahedra, corners with four equivalent O(2)Zn2Co3 trigonal bipyramids, corners with two equivalent O(4)Zn2Co2 trigonal pyramids, corners with three equivalent O(3)Zn3Co trigonal pyramids,  an edgeedge with one O(1)ZnCo3 tetrahedra, and  an edgeedge with one O(2)Zn2Co3 trigonal bipyramid.
CoZnO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted CoO4 trigonal pyramids that share corners with four equivalent Co(2)O5 trigonal bipyramids, corners with two equivalent Co(1)O4 trigonal pyramids, and corners with four equivalent Zn(1)O4 trigonal pyramids. The Co(1)-O(2) bond length is 2.04 Å. The Co(1)-O(3) bond length is 2.08 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) Co(1)-O(1) bond length. In the second Co site, Co(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O4 trigonal pyramid, corners with four equivalent Co(1)O4 trigonal pyramids, edges with two equivalent Co(2)O5 trigonal bipyramids, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The Co(2)-O(1) bond length is 2.06 Å. There is one shorter (2.10 Å) and one longer (2.17 Å) Co(2)-O(2) bond length. Both Co(2)-O(4) bond lengths are 2.09 Å. 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 trigonal pyramids that share  a cornercorner with one Co(2)O5 trigonal bipyramid, corners with two equivalent Zn(1)O4 trigonal pyramids, corners with four equivalent Co(1)O4 trigonal pyramids, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The Zn(1)-O(1) bond length is 2.04 Å. The Zn(1)-O(4) bond length is 2.01 Å. There is one shorter (1.99 Å) and one longer (2.00 Å) Zn(1)-O(3) bond length. 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 1.95 Å. The Zn(2)-O(4) bond length is 1.87 Å. There is one shorter (2.11 Å) and one longer (2.21 Å) Zn(2)-O(2) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Co(2), two equivalent Co(1), and one Zn(1) atom to form distorted OZnCo3 tetrahedra that share corners with two equivalent O(1)ZnCo3 tetrahedra, corners with four equivalent O(2)Zn2Co3 trigonal bipyramids,  a cornercorner with one O(4)Zn2Co2 trigonal pyramid, corners with four equivalent O(3)Zn3Co trigonal pyramids, and  an edgeedge with one O(4)Zn2Co2 trigonal pyramid. In the second O site, O(2) is bonded to one Co(1), two equivalent Co(2), and two equivalent Zn(2) atoms to form distorted OZn2Co3 trigonal bipyramids that share corners with four equivalent O(1)ZnCo3 tetrahedra,  a cornercorner with one O(3)Zn3Co trigonal pyramid, corners with four equivalent O(4)Zn2Co2 trigonal pyramids, edges with two equivalent O(2)Zn2Co3 trigonal bipyramids,  an edgeedge with one O(4)Zn2Co2 trigonal pyramid, and  an edgeedge with one O(3)Zn3Co trigonal pyramid. In the third O site, O(3) is bonded to one Co(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OZn3Co trigonal pyramids that share corners with four equivalent O(1)ZnCo3 tetrahedra,  a cornercorner with one O(2)Zn2Co3 trigonal bipyramid, corners with two equivalent O(3)Zn3Co trigonal pyramids, corners with three equivalent O(4)Zn2Co2 trigonal pyramids, and  an edgeedge with one O(2)Zn2Co3 trigonal bipyramid. In the fourth O site, O(4) is bonded to two equivalent Co(2), one Zn(1), and one Zn(2) atom to form distorted OZn2Co2 trigonal pyramids that share  a cornercorner with one O(1)ZnCo3 tetrahedra, corners with four equivalent O(2)Zn2Co3 trigonal bipyramids, corners with two equivalent O(4)Zn2Co2 trigonal pyramids, corners with three equivalent O(3)Zn3Co trigonal pyramids,  an edgeedge with one O(1)ZnCo3 tetrahedra, and  an edgeedge with one O(2)Zn2Co3 trigonal bipyramid.