Ti7Fe13O30 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(26), one O(28), one O(3), one O(5), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(10)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(12)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(13)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(13)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-67°. In the third Ti site, Ti(3) is bonded to one O(10), one O(12), one O(15), one O(17), one O(19), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-66°. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(11), one O(13), one O(15), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the fifth Ti site, Ti(5) is bonded to one O(14), one O(16), one O(18), one O(21), one O(23), and one O(25) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra, corners with three equivalent Ti(7)O6 octahedra, corners with three equivalent Fe(8)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra, edges with two equivalent Fe(9)O6 octahedra, and  a faceface with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. In the sixth Ti site, Ti(6) is bonded to one O(20), one O(22), one O(24), one O(27), one O(29), and one O(30) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(10)O6 octahedra, corners with three equivalent Ti(7)O6 octahedra, corners with three equivalent Fe(12)O6 octahedra,  an edgeedge with one Fe(13)O6 octahedra, edges with two equivalent Fe(11)O6 octahedra, and  a faceface with one Fe(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-65°. In the seventh Ti site, Ti(7) is bonded to one O(18), one O(20), one O(22), one O(23), one O(25), and one O(27) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(11)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra, edges with two equivalent Fe(7)O6 octahedra, and  a faceface with one Fe(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. There are thirteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(28), one O(3), one O(5), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(13)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(12)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the second Fe site, Fe(2) is bonded to one O(11), one O(13), one O(2), one O(4), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-63°. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(4), one O(6), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(11), one O(2), one O(4), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-67°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(12), one O(14), one O(15), one O(17), and one O(19) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Fe(8)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(13), one O(15), one O(17), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. In the seventh Fe site, Fe(7) is bonded to one O(16), one O(18), one O(20), one O(21), one O(23), and one O(25) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with three equivalent Fe(11)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Ti(7)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the eighth Fe site, Fe(8) is bonded to one O(12), one O(14), one O(16), one O(17), one O(19), and one O(21) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Fe(9)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and  a faceface with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-65°. In the ninth Fe site, Fe(9) is bonded to one O(12), one O(14), one O(16), one O(19), one O(21), and one O(23) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(7)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(5)O6 octahedra, and  a faceface with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-65°. In the tenth Fe site, Fe(10) is bonded to one O(22), one O(24), one O(26), one O(27), one O(29), and one O(30) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with three equivalent Fe(11)O6 octahedra, corners with three equivalent Fe(13)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, edges with two equivalent Fe(12)O6 octahedra, and  a faceface with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. In the eleventh Fe site, Fe(11) is bonded to one O(18), one O(20), one O(22), one O(25), one O(27), and one O(29) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(12)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, corners with three equivalent Fe(10)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(6)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the twelfth Fe site, Fe(12) is bonded to one O(24), one O(26), one O(28), one O(29), one O(3), and one O(30) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(11)O6 octahedra, corners with two equivalent Fe(13)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, and  a faceface with one Fe(13)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. In the thirteenth Fe site, Fe(13) is bonded to one O(24), one O(26), one O(28), one O(3), one O(30), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Fe(12)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(10)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and  a faceface with one Fe(12)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded to one Ti(2), one Fe(1), one Fe(2), and one Fe(4) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(13)TiFe3 trigonal pyramid,  a cornercorner with one O(28)TiFe3 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid,  a cornercorner with one O(9)TiFe3 trigonal pyramid,  an edgeedge with one O(5)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(9)TiFe3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(1), one Fe(12), and one Fe(13) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ti(2), one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(2), one Fe(1), and one Fe(13) atom to form a mixture of distorted edge and corner-sharing OTi2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Ti(4), one Fe(2), one Fe(3), and one Fe(6) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(17)TiFe3 trigonal pyramid,  a cornercorner with one O(2)TiFe3 trigonal pyramid, corners with two equivalent O(9)TiFe3 trigonal pyramids,  an edgeedge with one O(8)Ti2Fe2 trigonal pyramid, and edges with two equivalent O(13)TiFe3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Fe(1), and one Fe(4) atom. In the eighth O site, O(8) is bonded to one Ti(3), one Ti(4), one Fe(3), and one Fe(6) atom to form a mixture of distorted edge and corner-sharing OTi2Fe2 trigonal pyramids. In the ninth O site, O(9) is bonded to one Ti(2), 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)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(2)TiFe3 trigonal pyramid, corners with two equivalent O(13)TiFe3 trigonal pyramids, corners with two equivalent O(6)TiFe3 trigonal pyramids, and  an edgeedge with one O(2)TiFe3 trigonal pyramid. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(4), one Fe(5), and one Fe(6) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Ti(4), one Fe(2), one Fe(3), and one Fe(4) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(5), one Fe(8), and one Fe(9) atom. In the thirteenth O site, O(13) is bonded to one Ti(4), one Fe(2), one Fe(3), and one Fe(6) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(17)TiFe3 trigonal pyramid,  a cornercorner with one O(2)TiFe3 trigonal pyramid, corners with two equivalent O(9)TiFe3 trigonal pyramids, corners with three equivalent O(8)Ti2Fe2 trigonal pyramids, and edges with two equivalent O(6)TiFe3 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ti(5), one Fe(5), one Fe(8), and one Fe(9) atom. In the fifteenth O site, O(15) is bonded in a distorted see-saw-like geometry to one Ti(3), one Ti(4), one Fe(5), and one Fe(6) atom. In the sixteenth O site, O(16) is bonded to one Ti(5), one Fe(7), one Fe(8), and one Fe(9) atom to form distorted corner-sharing OTiFe3 trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Ti(3), one Fe(5), one Fe(6), and one Fe(8) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(13)TiFe3 trigonal pyramid,  a cornercorner with one O(16)TiFe3 trigonal pyramid,  a cornercorner with one O(19)TiFe3 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid,  an edgeedge with one O(8)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(19)TiFe3 trigonal pyramid. In the eighteenth O site, O(18) is bonded in a distorted see-saw-like geometry to one Ti(5), one Ti(7), one Fe(11), and one Fe(7) atom. In the nineteenth O site, O(19) is bonded to one Ti(3), one Fe(5), one Fe(8), and one Fe(9) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(17)TiFe3 trigonal pyramid, corners with two equivalent O(16)TiFe3 trigonal pyramids, and  an edgeedge with one O(17)TiFe3 trigonal pyramid. In the twentieth O site, O(20) is bonded in a distorted see-saw-like geometry to one Ti(6), one Ti(7), one Fe(11), and one Fe(7) atom. In the twenty-first O site, O(21) is bonded in a distorted see-saw-like geometry to one Ti(5), one Fe(7), one Fe(8), and one Fe(9) atom. In the twenty-second O site, O(22) is bonded in a distorted see-saw-like geometry to one Ti(6), one Ti(7), one Fe(10), and one Fe(11) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Ti(5), one Ti(7), one Fe(7), and one Fe(9) atom. In the twenty-fourth O site, O(24) is bonded in a distorted see-saw-like geometry to one Ti(6), one Fe(10), one Fe(12), and one Fe(13) atom. In the twenty-fifth O site, O(25) is bonded in a distorted see-saw-like geometry to one Ti(5), one Ti(7), one Fe(11), and one Fe(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(10), one Fe(12), and one Fe(13) atom. In the twenty-seventh O site, O(27) is bonded in a distorted see-saw-like geometry to one Ti(6), one Ti(7), one Fe(10), and one Fe(11) atom. In the twenty-eighth O site, O(28) is bonded to one Ti(1), one Fe(1), one Fe(12), and one Fe(13) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(5)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(2)TiFe3 trigonal pyramid, corners with two equivalent O(30)TiFe3 trigonal pyramids, and  an edgeedge with one O(5)Ti2Fe2 trigonal pyramid. In the twenty-ninth O site, O(29) is bonded in a distorted see-saw-like geometry to one Ti(6), one Fe(10), one Fe(11), and one Fe(12) atom. In the thirtieth O site, O(30) is bonded to one Ti(6), one Fe(10), one Fe(12), and one Fe(13) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(5)Ti2Fe2 trigonal pyramid and corners with two equivalent O(28)TiFe3 trigonal pyramids.
Ti7Fe13O30 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(26), one O(28), one O(3), one O(5), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(10)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(12)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(13)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. The Ti(1)-O(1) bond length is 1.88 Å. The Ti(1)-O(26) bond length is 1.86 Å. The Ti(1)-O(28) bond length is 2.16 Å. The Ti(1)-O(3) bond length is 1.91 Å. The Ti(1)-O(5) bond length is 2.14 Å. The Ti(1)-O(7) bond length is 2.16 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(13)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-67°. The Ti(2)-O(1) bond length is 2.31 Å. The Ti(2)-O(2) bond length is 2.01 Å. The Ti(2)-O(4) bond length is 1.83 Å. The Ti(2)-O(5) bond length is 2.06 Å. The Ti(2)-O(7) bond length is 1.95 Å. The Ti(2)-O(9) bond length is 1.95 Å. In the third Ti site, Ti(3) is bonded to one O(10), one O(12), one O(15), one O(17), one O(19), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-66°. The Ti(3)-O(10) bond length is 2.29 Å. The Ti(3)-O(12) bond length is 1.84 Å. The Ti(3)-O(15) bond length is 1.94 Å. The Ti(3)-O(17) bond length is 2.01 Å. The Ti(3)-O(19) bond length is 1.93 Å. The Ti(3)-O(8) bond length is 2.06 Å. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(11), one O(13), one O(15), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. The Ti(4)-O(10) bond length is 1.90 Å. The Ti(4)-O(11) bond length is 1.88 Å. The Ti(4)-O(13) bond length is 1.90 Å. The Ti(4)-O(15) bond length is 2.17 Å. The Ti(4)-O(6) bond length is 2.07 Å. The Ti(4)-O(8) bond length is 2.13 Å. In the fifth Ti site, Ti(5) is bonded to one O(14), one O(16), one O(18), one O(21), one O(23), and one O(25) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra, corners with three equivalent Ti(7)O6 octahedra, corners with three equivalent Fe(8)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra, edges with two equivalent Fe(9)O6 octahedra, and  a faceface with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. The Ti(5)-O(14) bond length is 1.86 Å. The Ti(5)-O(16) bond length is 2.05 Å. The Ti(5)-O(18) bond length is 1.92 Å. The Ti(5)-O(21) bond length is 1.85 Å. The Ti(5)-O(23) bond length is 2.23 Å. The Ti(5)-O(25) bond length is 2.18 Å. In the sixth Ti site, Ti(6) is bonded to one O(20), one O(22), one O(24), one O(27), one O(29), and one O(30) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(10)O6 octahedra, corners with three equivalent Ti(7)O6 octahedra, corners with three equivalent Fe(12)O6 octahedra,  an edgeedge with one Fe(13)O6 octahedra, edges with two equivalent Fe(11)O6 octahedra, and  a faceface with one Fe(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-65°. The Ti(6)-O(20) bond length is 1.85 Å. The Ti(6)-O(22) bond length is 2.14 Å. The Ti(6)-O(24) bond length is 1.97 Å. The Ti(6)-O(27) bond length is 1.87 Å. The Ti(6)-O(29) bond length is 2.11 Å. The Ti(6)-O(30) bond length is 2.19 Å. In the seventh Ti site, Ti(7) is bonded to one O(18), one O(20), one O(22), one O(23), one O(25), and one O(27) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(11)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra, edges with two equivalent Fe(7)O6 octahedra, and  a faceface with one Fe(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. The Ti(7)-O(18) bond length is 2.16 Å. The Ti(7)-O(20) bond length is 2.19 Å. The Ti(7)-O(22) bond length is 1.89 Å. The Ti(7)-O(23) bond length is 1.91 Å. The Ti(7)-O(25) bond length is 1.83 Å. The Ti(7)-O(27) bond length is 2.16 Å. There are thirteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(28), one O(3), one O(5), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(13)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(12)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. The Fe(1)-O(1) bond length is 2.00 Å. The Fe(1)-O(2) bond length is 1.95 Å. The Fe(1)-O(28) bond length is 2.12 Å. The Fe(1)-O(3) bond length is 2.04 Å. The Fe(1)-O(5) bond length is 2.13 Å. The Fe(1)-O(7) bond length is 2.09 Å. In the second Fe site, Fe(2) is bonded to one O(11), one O(13), one O(2), one O(4), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-63°. The Fe(2)-O(11) bond length is 2.24 Å. The Fe(2)-O(13) bond length is 2.21 Å. The Fe(2)-O(2) bond length is 2.10 Å. The Fe(2)-O(4) bond length is 2.23 Å. The Fe(2)-O(6) bond length is 2.08 Å. The Fe(2)-O(9) bond length is 2.07 Å. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(4), one O(6), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. The Fe(3)-O(11) bond length is 2.09 Å. The Fe(3)-O(13) bond length is 2.15 Å. The Fe(3)-O(4) bond length is 2.22 Å. The Fe(3)-O(6) bond length is 1.97 Å. The Fe(3)-O(8) bond length is 1.99 Å. The Fe(3)-O(9) bond length is 2.00 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(11), one O(2), one O(4), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-67°. The Fe(4)-O(1) bond length is 2.23 Å. The Fe(4)-O(11) bond length is 2.10 Å. The Fe(4)-O(2) bond length is 2.17 Å. The Fe(4)-O(4) bond length is 2.06 Å. The Fe(4)-O(7) bond length is 2.14 Å. The Fe(4)-O(9) bond length is 2.24 Å. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(12), one O(14), one O(15), one O(17), and one O(19) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Fe(8)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. The Fe(5)-O(10) bond length is 2.25 Å. The Fe(5)-O(12) bond length is 2.06 Å. The Fe(5)-O(14) bond length is 2.12 Å. The Fe(5)-O(15) bond length is 2.12 Å. The Fe(5)-O(17) bond length is 2.18 Å. The Fe(5)-O(19) bond length is 2.23 Å. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(13), one O(15), one O(17), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. The Fe(6)-O(10) bond length is 1.98 Å. The Fe(6)-O(13) bond length is 2.04 Å. The Fe(6)-O(15) bond length is 2.09 Å. The Fe(6)-O(17) bond length is 1.95 Å. The Fe(6)-O(6) bond length is 2.12 Å. The Fe(6)-O(8) bond length is 2.15 Å. In the seventh Fe site, Fe(7) is bonded to one O(16), one O(18), one O(20), one O(21), one O(23), and one O(25) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with three equivalent Fe(11)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Ti(7)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. The Fe(7)-O(16) bond length is 2.16 Å. The Fe(7)-O(18) bond length is 2.12 Å. The Fe(7)-O(20) bond length is 2.10 Å. The Fe(7)-O(21) bond length is 2.11 Å. The Fe(7)-O(23) bond length is 2.26 Å. The Fe(7)-O(25) bond length is 2.19 Å. In the eighth Fe site, Fe(8) is bonded to one O(12), one O(14), one O(16), one O(17), one O(19), and one O(21) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Fe(9)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and  a faceface with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-65°. The Fe(8)-O(12) bond length is 2.22 Å. The Fe(8)-O(14) bond length is 2.24 Å. The Fe(8)-O(16) bond length is 2.05 Å. The Fe(8)-O(17) bond length is 2.10 Å. The Fe(8)-O(19) bond length is 2.11 Å. The Fe(8)-O(21) bond length is 2.20 Å. In the ninth Fe site, Fe(9) is bonded to one O(12), one O(14), one O(16), one O(19), one O(21), and one O(23) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(7)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(5)O6 octahedra, and  a faceface with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-65°. The Fe(9)-O(12) bond length is 2.22 Å. The Fe(9)-O(14) bond length is 2.08 Å. The Fe(9)-O(16) bond length is 1.97 Å. The Fe(9)-O(19) bond length is 1.99 Å. The Fe(9)-O(21) bond length is 2.12 Å. The Fe(9)-O(23) bond length is 2.01 Å. In the tenth Fe site, Fe(10) is bonded to one O(22), one O(24), one O(26), one O(27), one O(29), and one O(30) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with three equivalent Fe(11)O6 octahedra, corners with three equivalent Fe(13)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, edges with two equivalent Fe(12)O6 octahedra, and  a faceface with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. The Fe(10)-O(22) bond length is 2.18 Å. The Fe(10)-O(24) bond length is 2.11 Å. The Fe(10)-O(26) bond length is 2.16 Å. The Fe(10)-O(27) bond length is 2.10 Å. The Fe(10)-O(29) bond length is 2.18 Å. The Fe(10)-O(30) bond length is 2.25 Å. In the eleventh Fe site, Fe(11) is bonded to one O(18), one O(20), one O(22), one O(25), one O(27), and one O(29) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(12)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, corners with three equivalent Fe(10)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(6)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. The Fe(11)-O(18) bond length is 2.12 Å. The Fe(11)-O(20) bond length is 2.27 Å. The Fe(11)-O(22) bond length is 2.11 Å. The Fe(11)-O(25) bond length is 2.11 Å. The Fe(11)-O(27) bond length is 2.19 Å. The Fe(11)-O(29) bond length is 2.06 Å. In the twelfth Fe site, Fe(12) is bonded to one O(24), one O(26), one O(28), one O(29), one O(3), and one O(30) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(11)O6 octahedra, corners with two equivalent Fe(13)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, and  a faceface with one Fe(13)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. The Fe(12)-O(24) bond length is 2.14 Å. The Fe(12)-O(26) bond length is 2.19 Å. The Fe(12)-O(28) bond length is 2.01 Å. The Fe(12)-O(29) bond length is 1.92 Å. The Fe(12)-O(3) bond length is 2.24 Å. The Fe(12)-O(30) bond length is 1.96 Å. In the thirteenth Fe site, Fe(13) is bonded to one O(24), one O(26), one O(28), one O(3), one O(30), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Fe(12)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(10)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and  a faceface with one Fe(12)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. The Fe(13)-O(24) bond length is 2.10 Å. The Fe(13)-O(26) bond length is 2.11 Å. The Fe(13)-O(28) bond length is 2.02 Å. The Fe(13)-O(3) bond length is 2.22 Å. The Fe(13)-O(30) bond length is 1.97 Å. The Fe(13)-O(5) bond length is 2.04 Å. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded to one Ti(2), one Fe(1), one Fe(2), and one Fe(4) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(13)TiFe3 trigonal pyramid,  a cornercorner with one O(28)TiFe3 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid,  a cornercorner with one O(9)TiFe3 trigonal pyramid,  an edgeedge with one O(5)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(9)TiFe3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(1), one Fe(12), and one Fe(13) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ti(2), one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(2), one Fe(1), and one Fe(13) atom to form a mixture of distorted edge and corner-sharing OTi2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Ti(4), one Fe(2), one Fe(3), and one Fe(6) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(17)TiFe3 trigonal pyramid,  a cornercorner with one O(2)TiFe3 trigonal pyramid, corners with two equivalent O(9)TiFe3 trigonal pyramids,  an edgeedge with one O(8)Ti2Fe2 trigonal pyramid, and edges with two equivalent O(13)TiFe3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Fe(1), and one Fe(4) atom. In the eighth O site, O(8) is bonded to one Ti(3), one Ti(4), one Fe(3), and one Fe(6) atom to form a mixture of distorted edge and corner-sharing OTi2Fe2 trigonal pyramids. In the ninth O site, O(9) is bonded to one Ti(2), 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)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(2)TiFe3 trigonal pyramid, corners with two equivalent O(13)TiFe3 trigonal pyramids, corners with two equivalent O(6)TiFe3 trigonal pyramids, and  an edgeedge with one O(2)TiFe3 trigonal pyramid. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(4), one Fe(5), and one Fe(6) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Ti(4), one Fe(2), one Fe(3), and one Fe(4) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(5), one Fe(8), and one Fe(9) atom. In the thirteenth O site, O(13) is bonded to one Ti(4), one Fe(2), one Fe(3), and one Fe(6) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(17)TiFe3 trigonal pyramid,  a cornercorner with one O(2)TiFe3 trigonal pyramid, corners with two equivalent O(9)TiFe3 trigonal pyramids, corners with three equivalent O(8)Ti2Fe2 trigonal pyramids, and edges with two equivalent O(6)TiFe3 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ti(5), one Fe(5), one Fe(8), and one Fe(9) atom. In the fifteenth O site, O(15) is bonded in a distorted see-saw-like geometry to one Ti(3), one Ti(4), one Fe(5), and one Fe(6) atom. In the sixteenth O site, O(16) is bonded to one Ti(5), one Fe(7), one Fe(8), and one Fe(9) atom to form distorted corner-sharing OTiFe3 trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Ti(3), one Fe(5), one Fe(6), and one Fe(8) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(13)TiFe3 trigonal pyramid,  a cornercorner with one O(16)TiFe3 trigonal pyramid,  a cornercorner with one O(19)TiFe3 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid,  an edgeedge with one O(8)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(19)TiFe3 trigonal pyramid. In the eighteenth O site, O(18) is bonded in a distorted see-saw-like geometry to one Ti(5), one Ti(7), one Fe(11), and one Fe(7) atom. In the nineteenth O site, O(19) is bonded to one Ti(3), one Fe(5), one Fe(8), and one Fe(9) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(17)TiFe3 trigonal pyramid, corners with two equivalent O(16)TiFe3 trigonal pyramids, and  an edgeedge with one O(17)TiFe3 trigonal pyramid. In the twentieth O site, O(20) is bonded in a distorted see-saw-like geometry to one Ti(6), one Ti(7), one Fe(11), and one Fe(7) atom. In the twenty-first O site, O(21) is bonded in a distorted see-saw-like geometry to one Ti(5), one Fe(7), one Fe(8), and one Fe(9) atom. In the twenty-second O site, O(22) is bonded in a distorted see-saw-like geometry to one Ti(6), one Ti(7), one Fe(10), and one Fe(11) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Ti(5), one Ti(7), one Fe(7), and one Fe(9) atom. In the twenty-fourth O site, O(24) is bonded in a distorted see-saw-like geometry to one Ti(6), one Fe(10), one Fe(12), and one Fe(13) atom. In the twenty-fifth O site, O(25) is bonded in a distorted see-saw-like geometry to one Ti(5), one Ti(7), one Fe(11), and one Fe(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(10), one Fe(12), and one Fe(13) atom. In the twenty-seventh O site, O(27) is bonded in a distorted see-saw-like geometry to one Ti(6), one Ti(7), one Fe(10), and one Fe(11) atom. In the twenty-eighth O site, O(28) is bonded to one Ti(1), one Fe(1), one Fe(12), and one Fe(13) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(5)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(2)TiFe3 trigonal pyramid, corners with two equivalent O(30)TiFe3 trigonal pyramids, and  an edgeedge with one O(5)Ti2Fe2 trigonal pyramid. In the twenty-ninth O site, O(29) is bonded in a distorted see-saw-like geometry to one Ti(6), one Fe(10), one Fe(11), and one Fe(12) atom. In the thirtieth O site, O(30) is bonded to one Ti(6), one Fe(10), one Fe(12), and one Fe(13) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(5)Ti2Fe2 trigonal pyramid and corners with two equivalent O(28)TiFe3 trigonal pyramids.