MgTi2(Fe2O5)2 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-67°. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(9) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the second Fe site, Fe(2) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-67°. In the third Fe site, Fe(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-51°. In the fourth Fe site, Fe(4) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(2), one Fe(3), and one Fe(4) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(9)MgTiFe2 trigonal pyramid, corners with three equivalent O(7)TiFe3 trigonal pyramids, corners with three equivalent O(8)TiFe3 trigonal pyramids,  an edgeedge with one O(5)MgTiFe2 trigonal pyramid, and  an edgeedge with one O(6)MgTiFe2 trigonal pyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(2), one Fe(1), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(2), one Fe(1), and one Fe(3) atom to form OMgTiFe2 trigonal pyramids that share  a cornercorner with one O(6)MgTiFe2 trigonal pyramid,  a cornercorner with one O(9)MgTiFe2 trigonal pyramid,  a cornercorner with one O(7)TiFe3 trigonal pyramid,  a cornercorner with one O(8)TiFe3 trigonal pyramid,  an edgeedge with one O(9)MgTiFe2 trigonal pyramid,  an edgeedge with one O(1)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(7)TiFe3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(1), one Fe(2), and one Fe(4) atom to form distorted OMgTiFe2 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe2 trigonal pyramid,  a cornercorner with one O(7)TiFe3 trigonal pyramid,  a cornercorner with one O(8)TiFe3 trigonal pyramid,  an edgeedge with one O(9)MgTiFe2 trigonal pyramid,  an edgeedge with one O(1)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(8)TiFe3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Ti(2), one Fe(1), one Fe(3), and one Fe(4) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe2 trigonal pyramid,  a cornercorner with one O(6)MgTiFe2 trigonal pyramid, corners with two equivalent O(9)MgTiFe2 trigonal pyramids, corners with two equivalent O(8)TiFe3 trigonal pyramids, corners with three equivalent O(1)Ti2Fe2 trigonal pyramids, and  an edgeedge with one O(5)MgTiFe2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Ti(1), one Fe(2), one Fe(3), and one Fe(4) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe2 trigonal pyramid,  a cornercorner with one O(6)MgTiFe2 trigonal pyramid,  a cornercorner with one O(9)MgTiFe2 trigonal pyramid, corners with two equivalent O(7)TiFe3 trigonal pyramids, corners with three equivalent O(1)Ti2Fe2 trigonal pyramids, and  an edgeedge with one O(6)MgTiFe2 trigonal pyramid. In the ninth O site, O(9) is bonded to one Mg(1), one Ti(2), one Fe(1), and one Fe(2) atom to form OMgTiFe2 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe2 trigonal pyramid,  a cornercorner with one O(1)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(8)TiFe3 trigonal pyramid, corners with two equivalent O(7)TiFe3 trigonal pyramids,  an edgeedge with one O(5)MgTiFe2 trigonal pyramid, and  an edgeedge with one O(6)MgTiFe2 trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Fe(1), and one Fe(2) atom.
MgTi2(Fe2O5)2 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. The Mg(1)-O(10) bond length is 2.24 Å. The Mg(1)-O(2) bond length is 2.03 Å. The Mg(1)-O(3) bond length is 2.27 Å. The Mg(1)-O(5) bond length is 2.05 Å. The Mg(1)-O(6) bond length is 2.03 Å. The Mg(1)-O(9) bond length is 2.19 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-67°. The Ti(1)-O(1) bond length is 2.27 Å. The Ti(1)-O(10) bond length is 1.86 Å. The Ti(1)-O(2) bond length is 1.89 Å. The Ti(1)-O(4) bond length is 1.95 Å. The Ti(1)-O(6) bond length is 2.00 Å. The Ti(1)-O(8) bond length is 2.21 Å. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(9) atom. The Ti(2)-O(1) bond length is 1.85 Å. The Ti(2)-O(2) bond length is 2.67 Å. The Ti(2)-O(3) bond length is 1.89 Å. The Ti(2)-O(5) bond length is 2.02 Å. The Ti(2)-O(7) bond length is 2.15 Å. The Ti(2)-O(9) bond length is 1.86 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. The Fe(1)-O(10) bond length is 2.16 Å. The Fe(1)-O(2) bond length is 2.18 Å. The Fe(1)-O(3) bond length is 2.20 Å. The Fe(1)-O(5) bond length is 2.07 Å. The Fe(1)-O(7) bond length is 2.14 Å. The Fe(1)-O(9) bond length is 2.09 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-67°. The Fe(2)-O(10) bond length is 2.04 Å. The Fe(2)-O(2) bond length is 2.29 Å. The Fe(2)-O(4) bond length is 2.13 Å. The Fe(2)-O(6) bond length is 2.24 Å. The Fe(2)-O(8) bond length is 2.19 Å. The Fe(2)-O(9) bond length is 2.11 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-51°. The Fe(3)-O(1) bond length is 2.27 Å. The Fe(3)-O(3) bond length is 2.16 Å. The Fe(3)-O(4) bond length is 2.11 Å. The Fe(3)-O(5) bond length is 2.00 Å. The Fe(3)-O(7) bond length is 1.96 Å. The Fe(3)-O(8) bond length is 1.97 Å. In the fourth Fe site, Fe(4) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. The Fe(4)-O(1) bond length is 2.09 Å. The Fe(4)-O(3) bond length is 2.62 Å. The Fe(4)-O(4) bond length is 2.10 Å. The Fe(4)-O(6) bond length is 1.94 Å. The Fe(4)-O(7) bond length is 1.98 Å. The Fe(4)-O(8) bond length is 1.96 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(2), one Fe(3), and one Fe(4) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(9)MgTiFe2 trigonal pyramid, corners with three equivalent O(7)TiFe3 trigonal pyramids, corners with three equivalent O(8)TiFe3 trigonal pyramids,  an edgeedge with one O(5)MgTiFe2 trigonal pyramid, and  an edgeedge with one O(6)MgTiFe2 trigonal pyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(2), one Fe(1), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(2), one Fe(1), and one Fe(3) atom to form OMgTiFe2 trigonal pyramids that share  a cornercorner with one O(6)MgTiFe2 trigonal pyramid,  a cornercorner with one O(9)MgTiFe2 trigonal pyramid,  a cornercorner with one O(7)TiFe3 trigonal pyramid,  a cornercorner with one O(8)TiFe3 trigonal pyramid,  an edgeedge with one O(9)MgTiFe2 trigonal pyramid,  an edgeedge with one O(1)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(7)TiFe3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(1), one Fe(2), and one Fe(4) atom to form distorted OMgTiFe2 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe2 trigonal pyramid,  a cornercorner with one O(7)TiFe3 trigonal pyramid,  a cornercorner with one O(8)TiFe3 trigonal pyramid,  an edgeedge with one O(9)MgTiFe2 trigonal pyramid,  an edgeedge with one O(1)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(8)TiFe3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Ti(2), one Fe(1), one Fe(3), and one Fe(4) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe2 trigonal pyramid,  a cornercorner with one O(6)MgTiFe2 trigonal pyramid, corners with two equivalent O(9)MgTiFe2 trigonal pyramids, corners with two equivalent O(8)TiFe3 trigonal pyramids, corners with three equivalent O(1)Ti2Fe2 trigonal pyramids, and  an edgeedge with one O(5)MgTiFe2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Ti(1), one Fe(2), one Fe(3), and one Fe(4) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe2 trigonal pyramid,  a cornercorner with one O(6)MgTiFe2 trigonal pyramid,  a cornercorner with one O(9)MgTiFe2 trigonal pyramid, corners with two equivalent O(7)TiFe3 trigonal pyramids, corners with three equivalent O(1)Ti2Fe2 trigonal pyramids, and  an edgeedge with one O(6)MgTiFe2 trigonal pyramid. In the ninth O site, O(9) is bonded to one Mg(1), one Ti(2), one Fe(1), and one Fe(2) atom to form OMgTiFe2 trigonal pyramids that share  a cornercorner with one O(5)MgTiFe2 trigonal pyramid,  a cornercorner with one O(1)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(8)TiFe3 trigonal pyramid, corners with two equivalent O(7)TiFe3 trigonal pyramids,  an edgeedge with one O(5)MgTiFe2 trigonal pyramid, and  an edgeedge with one O(6)MgTiFe2 trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Fe(1), and one Fe(2) atom.