Co3O4 is Hausmannite structured and crystallizes in the orthorhombic Imma space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Co(1), one Co(3), and two equivalent Co(2) atoms to form a mixture of distorted corner and edge-sharing OCo4 trigonal pyramids. In the second O site, O(2) is bonded to one Co(1), one Co(2), and two equivalent Co(3) atoms to form a mixture of distorted corner and edge-sharing OCo4 trigonal pyramids.
Co3O4 is Hausmannite structured and crystallizes in the orthorhombic Imma space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-60°. Both Co(1)-O(1) bond lengths are 1.96 Å. Both Co(1)-O(2) bond lengths are 1.97 Å. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. Both Co(2)-O(2) bond lengths are 1.91 Å. All Co(2)-O(1) bond lengths are 2.07 Å. In the third Co site, Co(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. Both Co(3)-O(1) bond lengths are 1.88 Å. All Co(3)-O(2) bond lengths are 2.06 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Co(1), one Co(3), and two equivalent Co(2) atoms to form a mixture of distorted corner and edge-sharing OCo4 trigonal pyramids. In the second O site, O(2) is bonded to one Co(1), one Co(2), and two equivalent Co(3) atoms to form a mixture of distorted corner and edge-sharing OCo4 trigonal pyramids.