CoFe2O4 is Spinel-like structured and crystallizes in the trigonal P3_121 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Fe(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 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 four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Co(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Co(1) atom.
CoFe2O4 is Spinel-like structured and crystallizes in the trigonal P3_121 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. The Fe(1)-O(1) bond length is 1.92 Å. The Fe(1)-O(2) bond length is 1.92 Å. The Fe(1)-O(3) bond length is 1.95 Å. The Fe(1)-O(4) bond length is 1.95 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The Fe(2)-O(1) bond length is 2.04 Å. The Fe(2)-O(2) bond length is 2.05 Å. Both Fe(2)-O(3) bond lengths are 2.06 Å. There is one shorter (2.05 Å) and one longer (2.06 Å) Fe(2)-O(4) bond length. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. Both Co(1)-O(1) bond lengths are 2.10 Å. Both Co(1)-O(2) bond lengths are 2.09 Å. Both Co(1)-O(4) bond lengths are 2.13 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 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(2)-O(1) bond lengths are 2.11 Å. Both Co(2)-O(2) bond lengths are 2.10 Å. Both Co(2)-O(3) bond lengths are 2.13 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Co(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Co(1) atom.