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), two equivalent O(1), and two equivalent O(3) atoms to form distorted CoO5 trigonal bipyramids that share corners with four equivalent Co(2)O5 trigonal bipyramids, corners with four equivalent Zn(1)O5 trigonal bipyramids,  an edgeedge with one Zn(1)O5 trigonal bipyramid, and edges with two equivalent Co(1)O5 trigonal bipyramids. 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 corners with two equivalent Zn(1)O5 trigonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids, edges with two equivalent Co(2)O5 trigonal bipyramids, and  a faceface with one Zn(1)O5 trigonal bipyramid. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent Co(2)O5 trigonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one Co(1)O5 trigonal bipyramid, edges with two equivalent Zn(1)O5 trigonal bipyramids, and  a faceface 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, corners with four equivalent O(3)Zn3Co2 trigonal bipyramids, and  an edgeedge with one O(3)Zn3Co2 trigonal bipyramid. 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 OZn2Co3 trigonal bipyramids that share corners with four equivalent O(1)ZnCo3 tetrahedra, edges with two equivalent O(2)Zn2Co3 trigonal bipyramids, and edges with two equivalent O(3)Zn3Co2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Co(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OZn3Co2 trigonal bipyramids that share corners with four equivalent O(1)ZnCo3 tetrahedra,  an edgeedge with one O(1)ZnCo3 tetrahedra, edges with two equivalent O(2)Zn2Co3 trigonal bipyramids, and edges with two equivalent O(3)Zn3Co2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Co(2), one Zn(2), and two equivalent Zn(1) atoms.
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), two equivalent O(1), and two equivalent O(3) atoms to form distorted CoO5 trigonal bipyramids that share corners with four equivalent Co(2)O5 trigonal bipyramids, corners with four equivalent Zn(1)O5 trigonal bipyramids,  an edgeedge with one Zn(1)O5 trigonal bipyramid, and edges with two equivalent Co(1)O5 trigonal bipyramids. The Co(1)-O(2) bond length is 2.13 Å. There is one shorter (1.91 Å) and one longer (2.02 Å) Co(1)-O(1) bond length. There is one shorter (2.14 Å) and one longer (2.32 Å) Co(1)-O(3) 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 corners with two equivalent Zn(1)O5 trigonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids, edges with two equivalent Co(2)O5 trigonal bipyramids, and  a faceface with one Zn(1)O5 trigonal bipyramid. The Co(2)-O(1) bond length is 2.02 Å. There is one shorter (2.06 Å) and one longer (2.07 Å) Co(2)-O(2) bond length. There is one shorter (2.07 Å) and one longer (2.36 Å) Co(2)-O(4) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent Co(2)O5 trigonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one Co(1)O5 trigonal bipyramid, edges with two equivalent Zn(1)O5 trigonal bipyramids, and  a faceface with one Co(2)O5 trigonal bipyramid. The Zn(1)-O(1) bond length is 2.05 Å. There is one shorter (2.06 Å) and one longer (2.07 Å) Zn(1)-O(3) bond length. There is one shorter (2.10 Å) and one longer (2.27 Å) Zn(1)-O(4) 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 1.98 Å. The Zn(2)-O(4) bond length is 1.88 Å. There is one shorter (2.10 Å) and one longer (2.13 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, corners with four equivalent O(3)Zn3Co2 trigonal bipyramids, and  an edgeedge with one O(3)Zn3Co2 trigonal bipyramid. 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 OZn2Co3 trigonal bipyramids that share corners with four equivalent O(1)ZnCo3 tetrahedra, edges with two equivalent O(2)Zn2Co3 trigonal bipyramids, and edges with two equivalent O(3)Zn3Co2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Co(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OZn3Co2 trigonal bipyramids that share corners with four equivalent O(1)ZnCo3 tetrahedra,  an edgeedge with one O(1)ZnCo3 tetrahedra, edges with two equivalent O(2)Zn2Co3 trigonal bipyramids, and edges with two equivalent O(3)Zn3Co2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Co(2), one Zn(2), and two equivalent Zn(1) atoms.