MgTi2(FeO2)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent Fe(2), one O(2), one O(3), and two equivalent O(1) atoms to form MgFe2O4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), and two equivalent O(6) atoms. In the second Ti site, Ti(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), and two equivalent O(6) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with four equivalent Mg(1)Fe2O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Mg(1), one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the third Fe site, Fe(3) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Fe(1), and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(2), one Fe(1), and two equivalent Fe(2) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Fe(3), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Fe(3), and two equivalent Fe(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Fe(2), and one Fe(3) atom.
MgTi2(FeO2)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent Fe(2), one O(2), one O(3), and two equivalent O(1) atoms to form MgFe2O4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra. Both Mg(1)-Fe(2) bond lengths are 2.29 Å. The Mg(1)-O(2) bond length is 1.88 Å. The Mg(1)-O(3) bond length is 1.88 Å. Both Mg(1)-O(1) bond lengths are 1.85 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), and two equivalent O(6) atoms. The Ti(1)-O(2) bond length is 2.42 Å. The Ti(1)-O(5) bond length is 1.91 Å. Both Ti(1)-O(6) bond lengths are 1.98 Å. In the second Ti site, Ti(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), and two equivalent O(6) atoms. The Ti(2)-O(3) bond length is 2.41 Å. The Ti(2)-O(4) bond length is 1.91 Å. Both Ti(2)-O(6) bond lengths are 1.98 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with four equivalent Mg(1)Fe2O4 tetrahedra. The Fe(1)-O(2) bond length is 2.16 Å. The Fe(1)-O(3) bond length is 2.15 Å. Both Fe(1)-O(1) bond lengths are 2.04 Å. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Mg(1), one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Fe(2)-O(1) bond length is 2.68 Å. The Fe(2)-O(2) bond length is 2.28 Å. The Fe(2)-O(3) bond length is 2.30 Å. The Fe(2)-O(4) bond length is 2.11 Å. The Fe(2)-O(5) bond length is 2.11 Å. The Fe(2)-O(6) bond length is 2.20 Å. In the third Fe site, Fe(3) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(6) atoms. The Fe(3)-O(4) bond length is 2.08 Å. The Fe(3)-O(5) bond length is 2.08 Å. Both Fe(3)-O(6) bond lengths are 2.14 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Fe(1), and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(2), one Fe(1), and two equivalent Fe(2) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Fe(3), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Fe(3), and two equivalent Fe(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Fe(2), and one Fe(3) atom.