CaFe2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd 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 range from 59-63°. 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 corner and edge-sharing OCaFe3 tetrahedra.
CaFe2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd 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 range from 59-63°. All Ca(1)-O(1) bond lengths are 2.17 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 2.00 Å. O(1) is bonded to one Ca(1) and three equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OCaFe3 tetrahedra.