MgTi2(Fe2O5)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(10), and two equivalent O(9) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(5), one O(7), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-68°. In the second Ti site, Ti(2) is bonded to one O(1), one O(6), one O(9), and two equivalent O(8) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Ti(2)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-71°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(5), one O(8), one O(9), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Ti(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 27-68°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(7), one O(8), and two equivalent O(6) atoms. In the third Fe site, Fe(3) is bonded to one O(10), one O(3), one O(4), one O(9), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Ti(2)O5 trigonal bipyramid, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-32°. In the fourth Fe site, Fe(4) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(6), and two equivalent O(7) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Fe(2), and one Fe(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ti(1), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(3), and two equivalent Fe(1) atoms to form OMgFe3 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe3 trigonal bipyramid, corners with three equivalent O(10)Mg2TiFe2 trigonal bipyramids, corners with two equivalent O(4)MgFe3 trigonal pyramids, corners with two equivalent O(8)Ti2Fe2 trigonal pyramids, and edges with two equivalent O(5)MgTiFe3 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), one Fe(1), and two equivalent Fe(3) atoms to form distorted OMgTiFe3 trigonal bipyramids that share  a cornercorner with one O(10)Mg2TiFe2 trigonal bipyramid, corners with two equivalent O(5)MgTiFe3 trigonal bipyramids,  a cornercorner with one O(4)MgFe3 trigonal pyramid,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(7)TiFe3 trigonal pyramid, edges with two equivalent O(10)Mg2TiFe2 trigonal bipyramids, and edges with two equivalent O(4)MgFe3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Ti(2), one Fe(4), and two equivalent Fe(2) atoms to form OTiFe3 tetrahedra that share corners with two equivalent O(6)TiFe3 tetrahedra,  a cornercorner with one O(10)Mg2TiFe2 trigonal bipyramid, edges with two equivalent O(8)Ti2Fe2 trigonal pyramids, and edges with two equivalent O(7)TiFe3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Ti(1), one Fe(2), and two equivalent Fe(4) atoms to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe3 trigonal bipyramid, corners with three equivalent O(10)Mg2TiFe2 trigonal bipyramids,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid, corners with two equivalent O(7)TiFe3 trigonal pyramids, and edges with two equivalent O(6)TiFe3 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Ti(2), one Fe(1), and one Fe(2) atom to form OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe3 trigonal bipyramid,  a cornercorner with one O(7)TiFe3 trigonal pyramid, corners with two equivalent O(4)MgFe3 trigonal pyramids, corners with two equivalent O(8)Ti2Fe2 trigonal pyramids, and edges with two equivalent O(6)TiFe3 tetrahedra. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(2), one Fe(1), and one Fe(3) atom. In the tenth O site, O(10) is bonded to two equivalent Mg(1), one Ti(1), one Fe(3), and one Fe(4) atom to form distorted OMg2TiFe2 trigonal bipyramids that share  a cornercorner with one O(6)TiFe3 tetrahedra,  a cornercorner with one O(5)MgTiFe3 trigonal bipyramid, corners with two equivalent O(10)Mg2TiFe2 trigonal bipyramids, corners with three equivalent O(4)MgFe3 trigonal pyramids, corners with three equivalent O(7)TiFe3 trigonal pyramids, and edges with two equivalent O(5)MgTiFe3 trigonal bipyramids.
MgTi2(Fe2O5)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(10), and two equivalent O(9) atoms. The Mg(1)-O(3) bond length is 2.35 Å. The Mg(1)-O(4) bond length is 2.10 Å. The Mg(1)-O(5) bond length is 2.22 Å. Both Mg(1)-O(10) bond lengths are 2.22 Å. Both Mg(1)-O(9) bond lengths are 2.45 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(5), one O(7), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-68°. The Ti(1)-O(10) bond length is 1.90 Å. The Ti(1)-O(2) bond length is 1.82 Å. The Ti(1)-O(5) bond length is 2.55 Å. The Ti(1)-O(7) bond length is 2.06 Å. Both Ti(1)-O(3) bond lengths are 1.96 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(6), one O(9), and two equivalent O(8) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Ti(2)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-71°. The Ti(2)-O(1) bond length is 1.80 Å. The Ti(2)-O(6) bond length is 2.04 Å. The Ti(2)-O(9) bond length is 1.84 Å. Both Ti(2)-O(8) bond lengths are 2.06 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(5), one O(8), one O(9), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Ti(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 27-68°. The Fe(1)-O(1) bond length is 2.08 Å. The Fe(1)-O(5) bond length is 2.20 Å. The Fe(1)-O(8) bond length is 2.14 Å. The Fe(1)-O(9) bond length is 2.19 Å. Both Fe(1)-O(4) bond lengths are 1.97 Å. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(7), one O(8), and two equivalent O(6) atoms. The Fe(2)-O(1) bond length is 2.04 Å. The Fe(2)-O(2) bond length is 1.95 Å. The Fe(2)-O(7) bond length is 2.14 Å. The Fe(2)-O(8) bond length is 2.23 Å. Both Fe(2)-O(6) bond lengths are 2.03 Å. In the third Fe site, Fe(3) is bonded to one O(10), one O(3), one O(4), one O(9), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Ti(2)O5 trigonal bipyramid, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-32°. The Fe(3)-O(10) bond length is 2.17 Å. The Fe(3)-O(3) bond length is 2.16 Å. The Fe(3)-O(4) bond length is 2.19 Å. The Fe(3)-O(9) bond length is 2.17 Å. Both Fe(3)-O(5) bond lengths are 1.92 Å. In the fourth Fe site, Fe(4) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(6), and two equivalent O(7) atoms. The Fe(4)-O(10) bond length is 2.34 Å. The Fe(4)-O(2) bond length is 2.04 Å. The Fe(4)-O(3) bond length is 2.68 Å. The Fe(4)-O(6) bond length is 2.30 Å. Both Fe(4)-O(7) bond lengths are 2.02 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Fe(2), and one Fe(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ti(1), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(3), and two equivalent Fe(1) atoms to form OMgFe3 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe3 trigonal bipyramid, corners with three equivalent O(10)Mg2TiFe2 trigonal bipyramids, corners with two equivalent O(4)MgFe3 trigonal pyramids, corners with two equivalent O(8)Ti2Fe2 trigonal pyramids, and edges with two equivalent O(5)MgTiFe3 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), one Fe(1), and two equivalent Fe(3) atoms to form distorted OMgTiFe3 trigonal bipyramids that share  a cornercorner with one O(10)Mg2TiFe2 trigonal bipyramid, corners with two equivalent O(5)MgTiFe3 trigonal bipyramids,  a cornercorner with one O(4)MgFe3 trigonal pyramid,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(7)TiFe3 trigonal pyramid, edges with two equivalent O(10)Mg2TiFe2 trigonal bipyramids, and edges with two equivalent O(4)MgFe3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Ti(2), one Fe(4), and two equivalent Fe(2) atoms to form OTiFe3 tetrahedra that share corners with two equivalent O(6)TiFe3 tetrahedra,  a cornercorner with one O(10)Mg2TiFe2 trigonal bipyramid, edges with two equivalent O(8)Ti2Fe2 trigonal pyramids, and edges with two equivalent O(7)TiFe3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Ti(1), one Fe(2), and two equivalent Fe(4) atoms to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe3 trigonal bipyramid, corners with three equivalent O(10)Mg2TiFe2 trigonal bipyramids,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid, corners with two equivalent O(7)TiFe3 trigonal pyramids, and edges with two equivalent O(6)TiFe3 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Ti(2), one Fe(1), and one Fe(2) atom to form OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe3 trigonal bipyramid,  a cornercorner with one O(7)TiFe3 trigonal pyramid, corners with two equivalent O(4)MgFe3 trigonal pyramids, corners with two equivalent O(8)Ti2Fe2 trigonal pyramids, and edges with two equivalent O(6)TiFe3 tetrahedra. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(2), one Fe(1), and one Fe(3) atom. In the tenth O site, O(10) is bonded to two equivalent Mg(1), one Ti(1), one Fe(3), and one Fe(4) atom to form distorted OMg2TiFe2 trigonal bipyramids that share  a cornercorner with one O(6)TiFe3 tetrahedra,  a cornercorner with one O(5)MgTiFe3 trigonal bipyramid, corners with two equivalent O(10)Mg2TiFe2 trigonal bipyramids, corners with three equivalent O(4)MgFe3 trigonal pyramids, corners with three equivalent O(7)TiFe3 trigonal pyramids, and edges with two equivalent O(5)MgTiFe3 trigonal bipyramids.