MgFeO3 is Ilmenite structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with nine equivalent Fe(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with nine equivalent Mg(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms.
MgFeO3 is Ilmenite structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with nine equivalent Fe(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There is one shorter (2.04 Å) and one longer (2.21 Å) Mg(1)-O(1) bond length. There is one shorter (2.03 Å) and one longer (2.17 Å) Mg(1)-O(2) bond length. There is one shorter (2.07 Å) and one longer (2.20 Å) Mg(1)-O(3) bond length. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with nine equivalent Mg(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There is one shorter (1.91 Å) and one longer (2.06 Å) Fe(1)-O(1) bond length. There is one shorter (1.85 Å) and one longer (2.19 Å) Fe(1)-O(2) bond length. There is one shorter (1.92 Å) and one longer (1.95 Å) Fe(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms.