CdFe2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four 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(4) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the second Fe site, Fe(2) 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(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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(4)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) 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. Cd(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CdO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. In the second O site, O(2) is bonded to one Fe(1), one Fe(2), one Fe(4), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. In the third O site, O(3) is bonded to one Fe(2), one Fe(3), one Fe(4), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. In the fourth O site, O(4) is bonded to one Fe(1), one Fe(3), one Fe(4), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra.
CdFe2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four 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(4) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. Both Fe(1)-O(1) bond lengths are 1.98 Å. Both Fe(1)-O(2) bond lengths are 2.19 Å. Both Fe(1)-O(4) bond lengths are 1.98 Å. In the second Fe site, Fe(2) 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(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. Both Fe(2)-O(1) bond lengths are 2.19 Å. Both Fe(2)-O(2) bond lengths are 1.98 Å. Both Fe(2)-O(3) bond lengths are 1.98 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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(4)O6 octahedra. Both Fe(3)-O(1) bond lengths are 1.97 Å. Both Fe(3)-O(3) bond lengths are 2.19 Å. Both Fe(3)-O(4) bond lengths are 1.98 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) 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(4)-O(2) bond lengths are 1.98 Å. Both Fe(4)-O(3) bond lengths are 1.98 Å. Both Fe(4)-O(4) bond lengths are 2.19 Å. Cd(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CdO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. The Cd(1)-O(1) bond length is 2.18 Å. The Cd(1)-O(2) bond length is 2.18 Å. The Cd(1)-O(3) bond length is 2.18 Å. The Cd(1)-O(4) bond length is 2.18 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. In the second O site, O(2) is bonded to one Fe(1), one Fe(2), one Fe(4), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. In the third O site, O(3) is bonded to one Fe(2), one Fe(3), one Fe(4), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. In the fourth O site, O(4) is bonded to one Fe(1), one Fe(3), one Fe(4), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra.