CoZnO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with eight equivalent Zn(1)O4 tetrahedra and edges with three equivalent Co(1)O6 octahedra. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-66°. There are three 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 a mixture of distorted edge and corner-sharing OZnCo3 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Zn(1) atoms.
CoZnO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. Both Co(1)-O(2) bond lengths are 1.81 Å. All Co(1)-O(1) bond lengths are 1.95 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with eight equivalent Zn(1)O4 tetrahedra and edges with three equivalent Co(1)O6 octahedra. Both Co(2)-O(1) bond lengths are 1.95 Å. Both Co(2)-O(2) bond lengths are 1.90 Å. Both Co(2)-O(3) bond lengths are 1.81 Å. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-66°. The Zn(1)-O(1) bond length is 2.04 Å. The Zn(1)-O(2) bond length is 1.93 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) Zn(1)-O(3) bond length. There are three 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 a mixture of distorted edge and corner-sharing OZnCo3 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Zn(1) atoms.