Ti3Fe7O15 is Ilmenite-like structured and crystallizes in the monoclinic Cc space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(12), one O(15), one O(3), one O(5), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-57°. 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(6)O6 octahedra, corners with two equivalent Fe(5)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(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-64°. In the third Ti site, Ti(3) is bonded to one O(10), one O(11), one O(13), one O(14), one O(6), and one O(8) 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 Fe(2)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(2), 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(5)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(4)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 52-60°. 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 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(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-66°. 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 Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(14), one O(15), one O(3), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(7)O6 octahedra, and  a faceface with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-66°. In the fifth Fe site, Fe(5) 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(3)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 52-64°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(12), one O(14), one O(15), one O(3), 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(4)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(13), one O(14), one O(15), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-59°. There are fifteen 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(5) atom. In the second O site, O(2) is bonded to one Ti(2), one Fe(1), one Fe(2), and one Fe(5) atom to form distorted corner-sharing OTiFe3 trigonal pyramids. In the third O site, O(3) is bonded to one Ti(1), one Fe(1), one Fe(4), and one Fe(6) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(2), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Fe(1), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(2), one Fe(3), and one Fe(7) atom. 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(5) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Ti(3), one Fe(3), one Fe(4), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(2), one Fe(3), and one Fe(5) atom. In the tenth O site, O(10) is bonded to one Ti(3), one Fe(4), one Fe(6), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(2), one Fe(3), and one Fe(5) atom. In the twelfth O site, O(12) is bonded in a see-saw-like geometry to one Ti(1), one Fe(1), one Fe(4), and one Fe(6) atom. In the thirteenth O site, O(13) is bonded to one Ti(3), one Fe(2), one Fe(3), and one Fe(7) atom to form distorted corner-sharing OTiFe3 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(4), one Fe(6), and one Fe(7) atom. In the fifteenth O site, O(15) is bonded to one Ti(1), one Fe(4), one Fe(6), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids.
Ti3Fe7O15 is Ilmenite-like structured and crystallizes in the monoclinic Cc space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(12), one O(15), one O(3), one O(5), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-57°. The Ti(1)-O(1) bond length is 1.88 Å. The Ti(1)-O(12) bond length is 2.06 Å. The Ti(1)-O(15) bond length is 1.86 Å. The Ti(1)-O(3) bond length is 1.89 Å. The Ti(1)-O(5) bond length is 2.17 Å. The Ti(1)-O(7) bond length is 2.22 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(6)O6 octahedra, corners with two equivalent Fe(5)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(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-64°. The Ti(2)-O(1) bond length is 2.29 Å. The Ti(2)-O(2) bond length is 2.07 Å. The Ti(2)-O(4) bond length is 1.83 Å. The Ti(2)-O(5) bond length is 1.95 Å. The Ti(2)-O(7) bond length is 1.93 Å. The Ti(2)-O(9) bond length is 2.01 Å. In the third Ti site, Ti(3) is bonded to one O(10), one O(11), one O(13), one O(14), one O(6), and one O(8) 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 Fe(2)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. The Ti(3)-O(10) bond length is 1.92 Å. The Ti(3)-O(11) bond length is 1.85 Å. The Ti(3)-O(13) bond length is 1.89 Å. The Ti(3)-O(14) bond length is 2.16 Å. The Ti(3)-O(6) bond length is 2.11 Å. The Ti(3)-O(8) bond length is 2.11 Å. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(2), 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(5)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(4)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 52-60°. The Fe(1)-O(1) bond length is 2.01 Å. The Fe(1)-O(12) bond length is 2.07 Å. The Fe(1)-O(2) bond length is 2.00 Å. The Fe(1)-O(3) bond length is 2.04 Å. The Fe(1)-O(5) bond length is 2.09 Å. The Fe(1)-O(7) bond length is 2.12 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 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(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-66°. The Fe(2)-O(11) bond length is 2.13 Å. The Fe(2)-O(13) bond length is 2.19 Å. The Fe(2)-O(2) bond length is 2.01 Å. The Fe(2)-O(4) bond length is 2.10 Å. The Fe(2)-O(6) bond length is 1.98 Å. The Fe(2)-O(9) bond length is 1.97 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 Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. The Fe(3)-O(11) bond length is 2.23 Å. The Fe(3)-O(13) bond length is 2.28 Å. The Fe(3)-O(4) bond length is 2.25 Å. The Fe(3)-O(6) bond length is 2.07 Å. The Fe(3)-O(8) bond length is 2.09 Å. The Fe(3)-O(9) bond length is 2.11 Å. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(14), one O(15), one O(3), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(7)O6 octahedra, and  a faceface with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-66°. The Fe(4)-O(10) bond length is 2.14 Å. The Fe(4)-O(12) bond length is 1.99 Å. The Fe(4)-O(14) bond length is 1.96 Å. The Fe(4)-O(15) bond length is 2.16 Å. The Fe(4)-O(3) bond length is 2.18 Å. The Fe(4)-O(8) bond length is 1.97 Å. In the fifth Fe site, Fe(5) 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(3)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 52-64°. The Fe(5)-O(1) bond length is 2.26 Å. The Fe(5)-O(11) bond length is 2.13 Å. The Fe(5)-O(2) bond length is 2.19 Å. The Fe(5)-O(4) bond length is 2.11 Å. The Fe(5)-O(7) bond length is 2.08 Å. The Fe(5)-O(9) bond length is 2.15 Å. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(12), one O(14), one O(15), one O(3), 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(4)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. The Fe(6)-O(10) bond length is 2.27 Å. The Fe(6)-O(12) bond length is 2.11 Å. The Fe(6)-O(14) bond length is 2.05 Å. The Fe(6)-O(15) bond length is 2.27 Å. The Fe(6)-O(3) bond length is 2.26 Å. The Fe(6)-O(5) bond length is 2.12 Å. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(13), one O(14), one O(15), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-59°. The Fe(7)-O(10) bond length is 2.02 Å. The Fe(7)-O(13) bond length is 2.02 Å. The Fe(7)-O(14) bond length is 2.09 Å. The Fe(7)-O(15) bond length is 2.05 Å. The Fe(7)-O(6) bond length is 2.08 Å. The Fe(7)-O(8) bond length is 2.06 Å. There are fifteen 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(5) atom. In the second O site, O(2) is bonded to one Ti(2), one Fe(1), one Fe(2), and one Fe(5) atom to form distorted corner-sharing OTiFe3 trigonal pyramids. In the third O site, O(3) is bonded to one Ti(1), one Fe(1), one Fe(4), and one Fe(6) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(2), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Fe(1), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(2), one Fe(3), and one Fe(7) atom. 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(5) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Ti(3), one Fe(3), one Fe(4), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(2), one Fe(3), and one Fe(5) atom. In the tenth O site, O(10) is bonded to one Ti(3), one Fe(4), one Fe(6), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(2), one Fe(3), and one Fe(5) atom. In the twelfth O site, O(12) is bonded in a see-saw-like geometry to one Ti(1), one Fe(1), one Fe(4), and one Fe(6) atom. In the thirteenth O site, O(13) is bonded to one Ti(3), one Fe(2), one Fe(3), and one Fe(7) atom to form distorted corner-sharing OTiFe3 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(4), one Fe(6), and one Fe(7) atom. In the fifteenth O site, O(15) is bonded to one Ti(1), one Fe(4), one Fe(6), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids.