CoFe2O4 is Spinel 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 four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. 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 Co(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Co(1) atom. In the second O site, O(2) is bonded to one Fe(2), two equivalent Fe(1), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OFe3Co trigonal pyramids.
CoFe2O4 is Spinel 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 four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. Both Fe(1)-O(1) bond lengths are 2.09 Å. All Fe(1)-O(2) bond lengths are 2.00 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 Co(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Both Fe(2)-O(2) bond lengths are 2.00 Å. All Fe(2)-O(1) bond lengths are 1.97 Å. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Both Co(1)-O(1) bond lengths are 1.98 Å. Both 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 in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Co(1) atom. In the second O site, O(2) is bonded to one Fe(2), two equivalent Fe(1), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OFe3Co trigonal pyramids.