CaFe2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Ca(1) is bonded to four equivalent O(1) atoms to form CaO4 tetrahedra that share corners with twelve equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Ca(1)O4 tetrahedra and edges with six equivalent Fe(1)O6 octahedra. O(1) is bonded to one Ca(1) and three equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OCaFe3 tetrahedra.
CaFe2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Ca(1) is bonded to four equivalent O(1) atoms to form CaO4 tetrahedra that share corners with twelve equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ca(1)-O(1) bond lengths are 2.18 Å. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Ca(1)O4 tetrahedra and edges with six equivalent Fe(1)O6 octahedra. All Fe(1)-O(1) bond lengths are 2.06 Å. O(1) is bonded to one Ca(1) and three equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OCaFe3 tetrahedra.