CrFe2O5 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with six equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. Fe(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one Cr(1) and three equivalent Fe(1) atoms to form distorted OCrFe3 trigonal pyramids that share  a cornercorner with one O(3)Cr2Fe2 trigonal pyramid, corners with three equivalent O(2)CrFe3 trigonal pyramids, edges with two equivalent O(3)Cr2Fe2 trigonal pyramids, and edges with two equivalent O(2)CrFe3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Cr(1) and two equivalent Fe(1) atoms to form distorted OCr2Fe2 trigonal pyramids that share corners with two equivalent O(3)Cr2Fe2 trigonal pyramids, corners with two equivalent O(2)CrFe3 trigonal pyramids, and edges with four equivalent O(2)CrFe3 trigonal pyramids.
CrFe2O5 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with six equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. Both Cr(1)-O(1) bond lengths are 1.90 Å. Both Cr(1)-O(2) bond lengths are 2.00 Å. Both Cr(1)-O(3) bond lengths are 2.01 Å. Fe(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. The Fe(1)-O(3) bond length is 2.16 Å. There is one shorter (1.94 Å) and one longer (1.98 Å) Fe(1)-O(1) bond length. There are a spread of Fe(1)-O(2) bond distances ranging from 2.01-2.22 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one Cr(1) and three equivalent Fe(1) atoms to form distorted OCrFe3 trigonal pyramids that share  a cornercorner with one O(3)Cr2Fe2 trigonal pyramid, corners with three equivalent O(2)CrFe3 trigonal pyramids, edges with two equivalent O(3)Cr2Fe2 trigonal pyramids, and edges with two equivalent O(2)CrFe3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Cr(1) and two equivalent Fe(1) atoms to form distorted OCr2Fe2 trigonal pyramids that share corners with two equivalent O(3)Cr2Fe2 trigonal pyramids, corners with two equivalent O(2)CrFe3 trigonal pyramids, and edges with four equivalent O(2)CrFe3 trigonal pyramids.