CoFe2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), two equivalent Fe(2), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OFe3Co trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Co(1) atoms.
CoFe2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. Both Fe(1)-O(1) bond lengths are 2.04 Å. Both Fe(1)-O(2) bond lengths are 2.01 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Both Fe(2)-O(2) bond lengths are 2.06 Å. All Fe(2)-O(1) bond lengths are 2.02 Å. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. Both Co(1)-O(1) bond lengths are 1.95 Å. All Co(1)-O(2) bond lengths are 1.97 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), two equivalent Fe(2), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OFe3Co trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Co(1) atoms.