CdFe2O4 is Spinel structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Cd(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CdO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), two equivalent Fe(1), and one Cd(1) atom to form a mixture of corner and edge-sharing OCdFe3 tetrahedra. In the second O site, O(2) is bonded to one Fe(3), two equivalent Fe(1), and one Cd(1) atom to form a mixture of distorted corner and edge-sharing OCdFe3 tetrahedra. In the third O site, O(3) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Cd(1) atom to form a mixture of corner and edge-sharing OCdFe3 tetrahedra.
CdFe2O4 is Spinel structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. Both Fe(1)-O(1) bond lengths are 2.01 Å. Both Fe(1)-O(2) bond lengths are 1.96 Å. Both Fe(1)-O(3) bond lengths are 2.01 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Both Fe(2)-O(1) bond lengths are 1.98 Å. All Fe(2)-O(3) bond lengths are 2.01 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Both Fe(3)-O(2) bond lengths are 2.14 Å. All Fe(3)-O(3) bond lengths are 1.99 Å. Cd(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CdO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. The Cd(1)-O(1) bond length is 2.17 Å. The Cd(1)-O(2) bond length is 2.15 Å. Both Cd(1)-O(3) bond lengths are 2.17 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), two equivalent Fe(1), and one Cd(1) atom to form a mixture of corner and edge-sharing OCdFe3 tetrahedra. In the second O site, O(2) is bonded to one Fe(3), two equivalent Fe(1), and one Cd(1) atom to form a mixture of distorted corner and edge-sharing OCdFe3 tetrahedra. In the third O site, O(3) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Cd(1) atom to form a mixture of corner and edge-sharing OCdFe3 tetrahedra.