MgFe2O4 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, and edges with six equivalent Fe(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(2), one Fe(1), and two equivalent Fe(2) atoms to form distorted OMgFe3 trigonal pyramids that share  a cornercorner with one O(2)Fe4 trigonal pyramid, corners with two equivalent O(1)MgFe3 trigonal pyramids,  an edgeedge with one O(2)Fe4 trigonal pyramid, and edges with two equivalent O(1)MgFe3 trigonal pyramids. In the second O site, O(2) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Fe(2) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(2), and two equivalent Fe(2) atoms.
MgFe2O4 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. The Mg(1)-O(3) bond length is 2.02 Å. All Mg(1)-O(4) bond lengths are 1.98 Å. In the second Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, and edges with six equivalent Fe(2)O6 octahedra. All Mg(2)-O(1) bond lengths are 2.11 Å. All Mg(2)-O(4) bond lengths are 2.08 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. The Fe(1)-O(2) bond length is 1.99 Å. All Fe(1)-O(1) bond lengths are 1.94 Å. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The Fe(2)-O(2) bond length is 2.11 Å. The Fe(2)-O(3) bond length is 2.05 Å. Both Fe(2)-O(1) bond lengths are 2.09 Å. Both Fe(2)-O(4) bond lengths are 2.00 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(2), one Fe(1), and two equivalent Fe(2) atoms to form distorted OMgFe3 trigonal pyramids that share  a cornercorner with one O(2)Fe4 trigonal pyramid, corners with two equivalent O(1)MgFe3 trigonal pyramids,  an edgeedge with one O(2)Fe4 trigonal pyramid, and edges with two equivalent O(1)MgFe3 trigonal pyramids. In the second O site, O(2) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Fe(2) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(2), and two equivalent Fe(2) atoms.