Fe2TiO5 crystallizes in the triclinic P1 space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(17), one O(2), one O(20), one O(3), one O(5), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-59°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(11), one O(14), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-56°. In the third Ti site, Ti(3) is bonded to one O(12), one O(13), one O(15), one O(20), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-59°. In the fourth Ti site, Ti(4) is bonded to one O(13), one O(16), one O(17), one O(19), one O(20), and one O(3) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-40°. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(18), one O(2), one O(4), one O(5), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-44°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(16), one O(19), one O(3), and one O(4) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-59°. In the third Fe site, Fe(3) is bonded to one O(12), one O(15), one O(2), one O(7), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-56°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(13), one O(3), one O(6), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-40°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(12), one O(14), one O(15), one O(18), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-44°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(11), one O(13), one O(14), one O(19), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-59°. In the seventh Fe site, Fe(7) is bonded to one O(1), one O(11), one O(16), one O(18), one O(19), and one O(4) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-56°. In the eighth Fe site, Fe(8) is bonded to one O(12), one O(17), one O(18), one O(2), one O(20), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-56°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Ti(2), one Fe(1), one Fe(2), and one Fe(7) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(3)Ti2Fe2 tetrahedra,  a cornercorner with one O(2)TiFe3 trigonal pyramid, corners with two equivalent O(11)TiFe3 trigonal pyramids,  an edgeedge with one O(8)TiFe3 tetrahedra,  an edgeedge with one O(18)Fe4 trigonal pyramid,  an edgeedge with one O(10)TiFe3 trigonal pyramid, and  an edgeedge with one O(19)TiFe3 trigonal pyramid. In the second O site, O(2) is bonded to one Ti(1), one Fe(1), one Fe(3), and one Fe(8) atom to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(3)Ti2Fe2 tetrahedra,  a cornercorner with one O(1)TiFe3 trigonal pyramid, corners with two equivalent O(12)TiFe3 trigonal pyramids,  an edgeedge with one O(8)TiFe3 tetrahedra,  an edgeedge with one O(18)Fe4 trigonal pyramid,  an edgeedge with one O(9)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(20)Ti3Fe trigonal pyramid. In the third O site, O(3) is bonded to one Ti(1), one Ti(4), one Fe(2), and one Fe(4) atom to form distorted OTi2Fe2 tetrahedra that share corners with two equivalent O(13)Ti2Fe2 tetrahedra,  a cornercorner with one O(1)TiFe3 trigonal pyramid,  a cornercorner with one O(2)TiFe3 trigonal pyramid,  an edgeedge with one O(9)Ti2Fe2 trigonal pyramid,  an edgeedge with one O(20)Ti3Fe trigonal pyramid,  an edgeedge with one O(10)TiFe3 trigonal pyramid, and  an edgeedge with one O(19)TiFe3 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(2), and one Fe(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Fe(1), and one Fe(8) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Fe(4), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ti(3), one Fe(3), and one Fe(4) atom. In the eighth O site, O(8) is bonded to one Ti(2), one Fe(1), one Fe(3), and one Fe(5) atom to form distorted OTiFe3 tetrahedra that share  a cornercorner with one O(9)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(10)TiFe3 trigonal pyramid, corners with two equivalent O(18)Fe4 trigonal pyramids,  an edgeedge with one O(1)TiFe3 trigonal pyramid,  an edgeedge with one O(11)TiFe3 trigonal pyramid,  an edgeedge with one O(12)TiFe3 trigonal pyramid, and  an edgeedge with one O(2)TiFe3 trigonal pyramid. In the ninth O site, O(9) is bonded to one Ti(1), one Ti(3), one Fe(3), and one Fe(4) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(8)TiFe3 tetrahedra,  a cornercorner with one O(10)TiFe3 trigonal pyramid, corners with two equivalent O(20)Ti3Fe trigonal pyramids,  an edgeedge with one O(13)Ti2Fe2 tetrahedra,  an edgeedge with one O(3)Ti2Fe2 tetrahedra,  an edgeedge with one O(12)TiFe3 trigonal pyramid, and  an edgeedge with one O(2)TiFe3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Ti(2), one Fe(2), one Fe(4), and one Fe(6) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(8)TiFe3 tetrahedra,  a cornercorner with one O(9)Ti2Fe2 trigonal pyramid, corners with two equivalent O(19)TiFe3 trigonal pyramids,  an edgeedge with one O(13)Ti2Fe2 tetrahedra,  an edgeedge with one O(3)Ti2Fe2 tetrahedra,  an edgeedge with one O(1)TiFe3 trigonal pyramid, and  an edgeedge with one O(11)TiFe3 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Ti(2), one Fe(5), one Fe(6), and one Fe(7) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(13)Ti2Fe2 tetrahedra,  a cornercorner with one O(12)TiFe3 trigonal pyramid, corners with two equivalent O(1)TiFe3 trigonal pyramids,  an edgeedge with one O(8)TiFe3 tetrahedra,  an edgeedge with one O(18)Fe4 trigonal pyramid,  an edgeedge with one O(10)TiFe3 trigonal pyramid, and  an edgeedge with one O(19)TiFe3 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ti(3), one Fe(3), one Fe(5), and one Fe(8) atom to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(13)Ti2Fe2 tetrahedra,  a cornercorner with one O(11)TiFe3 trigonal pyramid, corners with two equivalent O(2)TiFe3 trigonal pyramids,  an edgeedge with one O(8)TiFe3 tetrahedra,  an edgeedge with one O(18)Fe4 trigonal pyramid,  an edgeedge with one O(9)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(20)Ti3Fe trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Ti(3), one Ti(4), one Fe(4), and one Fe(6) atom to form distorted OTi2Fe2 tetrahedra that share corners with two equivalent O(3)Ti2Fe2 tetrahedra,  a cornercorner with one O(11)TiFe3 trigonal pyramid,  a cornercorner with one O(12)TiFe3 trigonal pyramid,  an edgeedge with one O(9)Ti2Fe2 trigonal pyramid,  an edgeedge with one O(20)Ti3Fe trigonal pyramid,  an edgeedge with one O(10)TiFe3 trigonal pyramid, and  an edgeedge with one O(19)TiFe3 trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Ti(2), one Fe(5), and one Fe(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3), one Fe(3), and one Fe(5) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Ti(4), one Fe(2), and one Fe(7) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(4), and one Fe(8) atom. In the eighteenth O site, O(18) is bonded to one Fe(1), one Fe(5), one Fe(7), and one Fe(8) atom to form distorted OFe4 trigonal pyramids that share corners with two equivalent O(8)TiFe3 tetrahedra,  a cornercorner with one O(20)Ti3Fe trigonal pyramid,  a cornercorner with one O(19)TiFe3 trigonal pyramid,  an edgeedge with one O(1)TiFe3 trigonal pyramid,  an edgeedge with one O(11)TiFe3 trigonal pyramid,  an edgeedge with one O(12)TiFe3 trigonal pyramid, and  an edgeedge with one O(2)TiFe3 trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Ti(4), one Fe(2), one Fe(6), and one Fe(7) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(18)Fe4 trigonal pyramid,  a cornercorner with one O(20)Ti3Fe trigonal pyramid, corners with two equivalent O(10)TiFe3 trigonal pyramids,  an edgeedge with one O(13)Ti2Fe2 tetrahedra,  an edgeedge with one O(3)Ti2Fe2 tetrahedra,  an edgeedge with one O(1)TiFe3 trigonal pyramid, and  an edgeedge with one O(11)TiFe3 trigonal pyramid. In the twentieth O site, O(20) is bonded to one Ti(1), one Ti(3), one Ti(4), and one Fe(8) atom to form distorted OTi3Fe trigonal pyramids that share  a cornercorner with one O(18)Fe4 trigonal pyramid,  a cornercorner with one O(19)TiFe3 trigonal pyramid, corners with two equivalent O(9)Ti2Fe2 trigonal pyramids,  an edgeedge with one O(13)Ti2Fe2 tetrahedra,  an edgeedge with one O(3)Ti2Fe2 tetrahedra,  an edgeedge with one O(12)TiFe3 trigonal pyramid, and  an edgeedge with one O(2)TiFe3 trigonal pyramid.
Fe2TiO5 crystallizes in the triclinic P1 space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(17), one O(2), one O(20), one O(3), one O(5), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-59°. The Ti(1)-O(17) bond length is 1.90 Å. The Ti(1)-O(2) bond length is 2.10 Å. The Ti(1)-O(20) bond length is 1.95 Å. The Ti(1)-O(3) bond length is 2.15 Å. The Ti(1)-O(5) bond length is 1.89 Å. The Ti(1)-O(9) bond length is 1.97 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(11), one O(14), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-56°. The Ti(2)-O(1) bond length is 1.92 Å. The Ti(2)-O(10) bond length is 2.26 Å. The Ti(2)-O(11) bond length is 1.95 Å. The Ti(2)-O(14) bond length is 1.84 Å. The Ti(2)-O(6) bond length is 1.91 Å. The Ti(2)-O(8) bond length is 2.17 Å. In the third Ti site, Ti(3) is bonded to one O(12), one O(13), one O(15), one O(20), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-59°. The Ti(3)-O(12) bond length is 2.17 Å. The Ti(3)-O(13) bond length is 2.15 Å. The Ti(3)-O(15) bond length is 1.90 Å. The Ti(3)-O(20) bond length is 1.96 Å. The Ti(3)-O(7) bond length is 1.83 Å. The Ti(3)-O(9) bond length is 1.98 Å. In the fourth Ti site, Ti(4) is bonded to one O(13), one O(16), one O(17), one O(19), one O(20), and one O(3) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-40°. The Ti(4)-O(13) bond length is 1.95 Å. The Ti(4)-O(16) bond length is 1.84 Å. The Ti(4)-O(17) bond length is 1.94 Å. The Ti(4)-O(19) bond length is 2.09 Å. The Ti(4)-O(20) bond length is 2.23 Å. The Ti(4)-O(3) bond length is 1.96 Å. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(18), one O(2), one O(4), one O(5), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-44°. The Fe(1)-O(1) bond length is 2.16 Å. The Fe(1)-O(18) bond length is 2.03 Å. The Fe(1)-O(2) bond length is 2.20 Å. The Fe(1)-O(4) bond length is 1.93 Å. The Fe(1)-O(5) bond length is 1.99 Å. The Fe(1)-O(8) bond length is 2.02 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(16), one O(19), one O(3), and one O(4) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-59°. The Fe(2)-O(1) bond length is 2.18 Å. The Fe(2)-O(10) bond length is 1.98 Å. The Fe(2)-O(16) bond length is 1.97 Å. The Fe(2)-O(19) bond length is 1.99 Å. The Fe(2)-O(3) bond length is 2.24 Å. The Fe(2)-O(4) bond length is 1.97 Å. In the third Fe site, Fe(3) is bonded to one O(12), one O(15), one O(2), one O(7), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-56°. The Fe(3)-O(12) bond length is 1.97 Å. The Fe(3)-O(15) bond length is 1.95 Å. The Fe(3)-O(2) bond length is 1.97 Å. The Fe(3)-O(7) bond length is 2.08 Å. The Fe(3)-O(8) bond length is 2.07 Å. The Fe(3)-O(9) bond length is 2.33 Å. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(13), one O(3), one O(6), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-40°. The Fe(4)-O(10) bond length is 2.06 Å. The Fe(4)-O(13) bond length is 2.06 Å. The Fe(4)-O(3) bond length is 2.06 Å. The Fe(4)-O(6) bond length is 1.96 Å. The Fe(4)-O(7) bond length is 2.00 Å. The Fe(4)-O(9) bond length is 2.13 Å. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(12), one O(14), one O(15), one O(18), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  an edgeedge with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-44°. The Fe(5)-O(11) bond length is 2.12 Å. The Fe(5)-O(12) bond length is 2.14 Å. The Fe(5)-O(14) bond length is 1.99 Å. The Fe(5)-O(15) bond length is 1.97 Å. The Fe(5)-O(18) bond length is 2.03 Å. The Fe(5)-O(8) bond length is 2.02 Å. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(11), one O(13), one O(14), one O(19), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-59°. The Fe(6)-O(10) bond length is 1.96 Å. The Fe(6)-O(11) bond length is 2.16 Å. The Fe(6)-O(13) bond length is 2.22 Å. The Fe(6)-O(14) bond length is 2.05 Å. The Fe(6)-O(19) bond length is 1.97 Å. The Fe(6)-O(6) bond length is 1.96 Å. In the seventh Fe site, Fe(7) is bonded to one O(1), one O(11), one O(16), one O(18), one O(19), and one O(4) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-56°. The Fe(7)-O(1) bond length is 2.01 Å. The Fe(7)-O(11) bond length is 2.02 Å. The Fe(7)-O(16) bond length is 2.07 Å. The Fe(7)-O(18) bond length is 2.11 Å. The Fe(7)-O(19) bond length is 2.18 Å. The Fe(7)-O(4) bond length is 1.92 Å. In the eighth Fe site, Fe(8) is bonded to one O(12), one O(17), one O(18), one O(2), one O(20), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-56°. The Fe(8)-O(12) bond length is 1.97 Å. The Fe(8)-O(17) bond length is 2.09 Å. The Fe(8)-O(18) bond length is 2.07 Å. The Fe(8)-O(2) bond length is 1.97 Å. The Fe(8)-O(20) bond length is 2.28 Å. The Fe(8)-O(5) bond length is 1.95 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Ti(2), one Fe(1), one Fe(2), and one Fe(7) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(3)Ti2Fe2 tetrahedra,  a cornercorner with one O(2)TiFe3 trigonal pyramid, corners with two equivalent O(11)TiFe3 trigonal pyramids,  an edgeedge with one O(8)TiFe3 tetrahedra,  an edgeedge with one O(18)Fe4 trigonal pyramid,  an edgeedge with one O(10)TiFe3 trigonal pyramid, and  an edgeedge with one O(19)TiFe3 trigonal pyramid. In the second O site, O(2) is bonded to one Ti(1), one Fe(1), one Fe(3), and one Fe(8) atom to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(3)Ti2Fe2 tetrahedra,  a cornercorner with one O(1)TiFe3 trigonal pyramid, corners with two equivalent O(12)TiFe3 trigonal pyramids,  an edgeedge with one O(8)TiFe3 tetrahedra,  an edgeedge with one O(18)Fe4 trigonal pyramid,  an edgeedge with one O(9)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(20)Ti3Fe trigonal pyramid. In the third O site, O(3) is bonded to one Ti(1), one Ti(4), one Fe(2), and one Fe(4) atom to form distorted OTi2Fe2 tetrahedra that share corners with two equivalent O(13)Ti2Fe2 tetrahedra,  a cornercorner with one O(1)TiFe3 trigonal pyramid,  a cornercorner with one O(2)TiFe3 trigonal pyramid,  an edgeedge with one O(9)Ti2Fe2 trigonal pyramid,  an edgeedge with one O(20)Ti3Fe trigonal pyramid,  an edgeedge with one O(10)TiFe3 trigonal pyramid, and  an edgeedge with one O(19)TiFe3 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(2), and one Fe(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Fe(1), and one Fe(8) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Fe(4), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ti(3), one Fe(3), and one Fe(4) atom. In the eighth O site, O(8) is bonded to one Ti(2), one Fe(1), one Fe(3), and one Fe(5) atom to form distorted OTiFe3 tetrahedra that share  a cornercorner with one O(9)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(10)TiFe3 trigonal pyramid, corners with two equivalent O(18)Fe4 trigonal pyramids,  an edgeedge with one O(1)TiFe3 trigonal pyramid,  an edgeedge with one O(11)TiFe3 trigonal pyramid,  an edgeedge with one O(12)TiFe3 trigonal pyramid, and  an edgeedge with one O(2)TiFe3 trigonal pyramid. In the ninth O site, O(9) is bonded to one Ti(1), one Ti(3), one Fe(3), and one Fe(4) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(8)TiFe3 tetrahedra,  a cornercorner with one O(10)TiFe3 trigonal pyramid, corners with two equivalent O(20)Ti3Fe trigonal pyramids,  an edgeedge with one O(13)Ti2Fe2 tetrahedra,  an edgeedge with one O(3)Ti2Fe2 tetrahedra,  an edgeedge with one O(12)TiFe3 trigonal pyramid, and  an edgeedge with one O(2)TiFe3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Ti(2), one Fe(2), one Fe(4), and one Fe(6) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(8)TiFe3 tetrahedra,  a cornercorner with one O(9)Ti2Fe2 trigonal pyramid, corners with two equivalent O(19)TiFe3 trigonal pyramids,  an edgeedge with one O(13)Ti2Fe2 tetrahedra,  an edgeedge with one O(3)Ti2Fe2 tetrahedra,  an edgeedge with one O(1)TiFe3 trigonal pyramid, and  an edgeedge with one O(11)TiFe3 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Ti(2), one Fe(5), one Fe(6), and one Fe(7) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(13)Ti2Fe2 tetrahedra,  a cornercorner with one O(12)TiFe3 trigonal pyramid, corners with two equivalent O(1)TiFe3 trigonal pyramids,  an edgeedge with one O(8)TiFe3 tetrahedra,  an edgeedge with one O(18)Fe4 trigonal pyramid,  an edgeedge with one O(10)TiFe3 trigonal pyramid, and  an edgeedge with one O(19)TiFe3 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ti(3), one Fe(3), one Fe(5), and one Fe(8) atom to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(13)Ti2Fe2 tetrahedra,  a cornercorner with one O(11)TiFe3 trigonal pyramid, corners with two equivalent O(2)TiFe3 trigonal pyramids,  an edgeedge with one O(8)TiFe3 tetrahedra,  an edgeedge with one O(18)Fe4 trigonal pyramid,  an edgeedge with one O(9)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(20)Ti3Fe trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Ti(3), one Ti(4), one Fe(4), and one Fe(6) atom to form distorted OTi2Fe2 tetrahedra that share corners with two equivalent O(3)Ti2Fe2 tetrahedra,  a cornercorner with one O(11)TiFe3 trigonal pyramid,  a cornercorner with one O(12)TiFe3 trigonal pyramid,  an edgeedge with one O(9)Ti2Fe2 trigonal pyramid,  an edgeedge with one O(20)Ti3Fe trigonal pyramid,  an edgeedge with one O(10)TiFe3 trigonal pyramid, and  an edgeedge with one O(19)TiFe3 trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Ti(2), one Fe(5), and one Fe(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3), one Fe(3), and one Fe(5) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Ti(4), one Fe(2), and one Fe(7) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(4), and one Fe(8) atom. In the eighteenth O site, O(18) is bonded to one Fe(1), one Fe(5), one Fe(7), and one Fe(8) atom to form distorted OFe4 trigonal pyramids that share corners with two equivalent O(8)TiFe3 tetrahedra,  a cornercorner with one O(20)Ti3Fe trigonal pyramid,  a cornercorner with one O(19)TiFe3 trigonal pyramid,  an edgeedge with one O(1)TiFe3 trigonal pyramid,  an edgeedge with one O(11)TiFe3 trigonal pyramid,  an edgeedge with one O(12)TiFe3 trigonal pyramid, and  an edgeedge with one O(2)TiFe3 trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Ti(4), one Fe(2), one Fe(6), and one Fe(7) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(18)Fe4 trigonal pyramid,  a cornercorner with one O(20)Ti3Fe trigonal pyramid, corners with two equivalent O(10)TiFe3 trigonal pyramids,  an edgeedge with one O(13)Ti2Fe2 tetrahedra,  an edgeedge with one O(3)Ti2Fe2 tetrahedra,  an edgeedge with one O(1)TiFe3 trigonal pyramid, and  an edgeedge with one O(11)TiFe3 trigonal pyramid. In the twentieth O site, O(20) is bonded to one Ti(1), one Ti(3), one Ti(4), and one Fe(8) atom to form distorted OTi3Fe trigonal pyramids that share  a cornercorner with one O(18)Fe4 trigonal pyramid,  a cornercorner with one O(19)TiFe3 trigonal pyramid, corners with two equivalent O(9)Ti2Fe2 trigonal pyramids,  an edgeedge with one O(13)Ti2Fe2 tetrahedra,  an edgeedge with one O(3)Ti2Fe2 tetrahedra,  an edgeedge with one O(12)TiFe3 trigonal pyramid, and  an edgeedge with one O(2)TiFe3 trigonal pyramid.