CoFe2O4 is Spinel-like structured and crystallizes in the monoclinic C2 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(2), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form FeO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(12), one O(7), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and corners with four equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Fe(5)O4 tetrahedra, edges with two equivalent Fe(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with six equivalent Fe(3)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Fe(5)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(6)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(4), one Co(1), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), one Fe(4), and one Co(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(4), and one Co(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), one Fe(4), and one Co(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), one Co(2), and one Co(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(4), one Fe(5), and one Co(3) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Fe(3), one Fe(4), one Co(2), and one Co(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Fe(5), two equivalent Fe(6), and one Co(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Fe(5), one Fe(6), one Co(1), and one Co(4) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(6), and one Co(4) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Fe(5), one Fe(6), one Co(1), and one Co(4) atom.
CoFe2O4 is Spinel-like structured and crystallizes in the monoclinic C2 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(2), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. The Fe(1)-O(1) bond length is 1.89 Å. The Fe(1)-O(11) bond length is 1.97 Å. The Fe(1)-O(2) bond length is 1.92 Å. The Fe(1)-O(4) bond length is 1.96 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The Fe(2)-O(1) bond length is 2.04 Å. The Fe(2)-O(3) bond length is 2.07 Å. The Fe(2)-O(4) bond length is 2.04 Å. The Fe(2)-O(5) bond length is 2.05 Å. The Fe(2)-O(6) bond length is 2.05 Å. The Fe(2)-O(7) bond length is 2.04 Å. In the third Fe site, Fe(3) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form FeO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. The Fe(3)-O(3) bond length is 1.97 Å. The Fe(3)-O(5) bond length is 1.97 Å. The Fe(3)-O(6) bond length is 1.89 Å. The Fe(3)-O(8) bond length is 1.93 Å. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The Fe(4)-O(2) bond length is 1.98 Å. The Fe(4)-O(3) bond length is 2.02 Å. The Fe(4)-O(4) bond length is 2.00 Å. The Fe(4)-O(5) bond length is 2.00 Å. The Fe(4)-O(7) bond length is 2.03 Å. The Fe(4)-O(8) bond length is 1.98 Å. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(12), one O(7), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and corners with four equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. The Fe(5)-O(10) bond length is 1.90 Å. The Fe(5)-O(12) bond length is 1.90 Å. The Fe(5)-O(7) bond length is 1.94 Å. The Fe(5)-O(9) bond length is 1.91 Å. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Fe(5)O4 tetrahedra, edges with two equivalent Fe(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The Fe(6)-O(10) bond length is 2.02 Å. The Fe(6)-O(12) bond length is 2.02 Å. Both Fe(6)-O(11) bond lengths are 2.06 Å. There is one shorter (2.04 Å) and one longer (2.05 Å) Fe(6)-O(9) bond length. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The Co(1)-O(1) bond length is 2.09 Å. The Co(1)-O(10) bond length is 2.08 Å. The Co(1)-O(12) bond length is 2.07 Å. The Co(1)-O(2) bond length is 2.10 Å. The Co(1)-O(4) bond length is 2.12 Å. The Co(1)-O(9) bond length is 2.12 Å. In the second Co site, Co(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with six equivalent Fe(3)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. Both Co(2)-O(5) bond lengths are 2.11 Å. Both Co(2)-O(6) bond lengths are 2.07 Å. Both Co(2)-O(8) bond lengths are 2.09 Å. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The Co(3)-O(1) bond length is 2.08 Å. The Co(3)-O(2) bond length is 2.08 Å. The Co(3)-O(3) bond length is 2.11 Å. The Co(3)-O(6) bond length is 2.09 Å. The Co(3)-O(7) bond length is 2.13 Å. The Co(3)-O(8) bond length is 2.09 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Fe(5)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(6)O6 octahedra. Both Co(4)-O(10) bond lengths are 2.10 Å. Both Co(4)-O(11) bond lengths are 2.04 Å. Both Co(4)-O(12) bond lengths are 2.09 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(4), one Co(1), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), one Fe(4), and one Co(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(4), and one Co(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), one Fe(4), and one Co(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), one Co(2), and one Co(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(4), one Fe(5), and one Co(3) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Fe(3), one Fe(4), one Co(2), and one Co(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Fe(5), two equivalent Fe(6), and one Co(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Fe(5), one Fe(6), one Co(1), and one Co(4) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(6), and one Co(4) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Fe(5), one Fe(6), one Co(1), and one Co(4) atom.