MgFe2O5 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Fe(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Fe(1) atoms to form OMgFe3 trigonal pyramids that share  a cornercorner with one O(3)Mg2Fe2 trigonal pyramid, corners with three equivalent O(2)MgFe3 trigonal pyramids, edges with two equivalent O(3)Mg2Fe2 trigonal pyramids, and edges with two equivalent O(2)MgFe3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Fe(1) atoms to form distorted OMg2Fe2 trigonal pyramids that share corners with two equivalent O(3)Mg2Fe2 trigonal pyramids, corners with two equivalent O(2)MgFe3 trigonal pyramids, and edges with four equivalent O(2)MgFe3 trigonal pyramids.
MgFe2O5 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Mg(1)-O(1) bond lengths are 2.03 Å. Both Mg(1)-O(2) bond lengths are 2.15 Å. Both Mg(1)-O(3) bond lengths are 2.11 Å. Fe(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. The Fe(1)-O(3) bond length is 1.99 Å. There is one shorter (1.88 Å) and one longer (1.94 Å) Fe(1)-O(1) bond length. All Fe(1)-O(2) bond lengths are 2.02 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Fe(1) atoms to form OMgFe3 trigonal pyramids that share  a cornercorner with one O(3)Mg2Fe2 trigonal pyramid, corners with three equivalent O(2)MgFe3 trigonal pyramids, edges with two equivalent O(3)Mg2Fe2 trigonal pyramids, and edges with two equivalent O(2)MgFe3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Fe(1) atoms to form distorted OMg2Fe2 trigonal pyramids that share corners with two equivalent O(3)Mg2Fe2 trigonal pyramids, corners with two equivalent O(2)MgFe3 trigonal pyramids, and edges with four equivalent O(2)MgFe3 trigonal pyramids.