The crystal structure described by Ti3Fe7O15 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(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 TiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-64°. In the second Ti site, Ti(2) 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 TiO6 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(7)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-61°. 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 TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra, edges with two equivalent Fe(7)O6 octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. In the fourth Ti site, Ti(4) 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(8)O6 octahedra, corners with three equivalent Fe(13)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Fe(11)O6 octahedra, and  a faceface with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-65°. In the fifth Ti site, Ti(5) 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 TiO6 octahedra that share  a cornercorner with one Fe(14)O6 octahedra, corners with two equivalent Fe(13)O6 octahedra, corners with three equivalent Fe(12)O6 octahedra, corners with three equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(4)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 39-64°. In the sixth Ti site, Ti(6) 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 TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(14)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(12)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  a faceface with one Fe(14)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. There are fourteen inequivalent Fe sites. In the first Fe site, Fe(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 FeO6 octahedra that share  a cornercorner with one Fe(12)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(14)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Ti(6)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. 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 Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the third Fe site, Fe(3) 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 FeO6 octahedra that share  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(2)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 50-60°. 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 Fe(6)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. 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(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Fe(11)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(9)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the sixth Fe site, Fe(6) 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 FeO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(7)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 Ti(2)O6 octahedra, and  a faceface with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the seventh Fe site, Fe(7) 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(9)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, corners with three equivalent Ti(2)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 Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the eighth Fe site, Fe(8) 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 Fe(10)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Fe(11)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(13)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-65°. In the ninth Fe site, Fe(9) 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(7)O6 octahedra, corners with two equivalent Fe(11)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and  a faceface with one Fe(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. In the tenth Fe site, Fe(10) 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 FeO6 octahedra that share  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Fe(12)O6 octahedra, corners with three equivalent Fe(13)O6 octahedra, corners with three equivalent Fe(14)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(5)O6 octahedra, and  a faceface with one Fe(12)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. In the eleventh Fe site, Fe(11) 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 Fe(13)O6 octahedra, corners with two equivalent Fe(9)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and  a faceface with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. In the twelfth Fe site, Fe(12) 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 Fe(1)O6 octahedra, corners with two equivalent Fe(10)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(13)O6 octahedra, edges with two equivalent Fe(14)O6 octahedra, and  a faceface with one Fe(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the thirteenth Fe site, Fe(13) 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 FeO6 octahedra that share  a cornercorner with one Fe(11)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Fe(10)O6 octahedra,  an edgeedge with one Fe(12)O6 octahedra, edges with two equivalent Fe(8)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-64°. In the fourteenth Fe site, Fe(14) 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 Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(10)O6 octahedra,  an edgeedge with one Ti(1)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 53-63°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(1), one Fe(3), and one Fe(4) atom. In the second O site, O(2) 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 third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(6), one Fe(1), and one Fe(14) atom. In the fourth O site, O(4) 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(11)TiFe3 trigonal pyramid,  an edgeedge with one O(11)TiFe3 trigonal pyramid, and  an edgeedge with one O(13)TiFe3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(6), one Fe(1), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OTi2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(2), one Fe(6), 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 Fe(1), one Fe(3), and one Fe(4) atom. In the eighth O site, O(8) is bonded to one Ti(2), one Ti(3), one Fe(6), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OTi2Fe2 trigonal pyramids. 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(4) atom. In the tenth O site, O(10) is bonded to one Ti(3), one Fe(5), one Fe(6), and one Fe(7) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(11)TiFe3 trigonal pyramid,  a cornercorner with one O(17)TiFe3 trigonal pyramid, corners with two equivalent O(13)TiFe3 trigonal pyramids, corners with three equivalent O(8)Ti2Fe2 trigonal pyramids, and  an edgeedge with one O(17)TiFe3 trigonal pyramid. In the eleventh O site, O(11) 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(10)TiFe3 trigonal pyramid,  a cornercorner with one O(13)TiFe3 trigonal pyramid,  a cornercorner with one O(4)TiFe3 trigonal pyramid,  an edgeedge with one O(8)Ti2Fe2 trigonal pyramid,  an edgeedge with one O(13)TiFe3 trigonal pyramid, and  an edgeedge with one O(4)TiFe3 trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(11), one Fe(5), and one Fe(9) atom. In the thirteenth O site, O(13) is bonded to one Ti(2), one Fe(2), one Fe(6), and one Fe(7) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(11)TiFe3 trigonal pyramid,  a cornercorner with one O(17)TiFe3 trigonal pyramid, corners with two equivalent O(10)TiFe3 trigonal pyramids, corners with three equivalent O(8)Ti2Fe2 trigonal pyramids,  an edgeedge with one O(11)TiFe3 trigonal pyramid, and  an edgeedge with one O(4)TiFe3 trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ti(4), one Fe(11), one Fe(5), 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 Fe(5), one Fe(6), and one Fe(7) atom. In the sixteenth O site, O(16) is bonded to one Ti(4), one Fe(11), one Fe(8), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Ti(3), one Fe(5), one Fe(7), and one Fe(9) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(10)TiFe3 trigonal pyramid,  a cornercorner with one O(13)TiFe3 trigonal pyramid,  a cornercorner with one O(16)TiFe3 trigonal pyramid,  an edgeedge with one O(8)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(10)TiFe3 trigonal pyramid. In the eighteenth O site, O(18) is bonded in a distorted see-saw-like geometry to one Ti(4), one Ti(5), one Fe(13), and one Fe(8) atom. In the nineteenth O site, O(19) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(11), one Fe(5), and one Fe(9) atom. In the twentieth O site, O(20) is bonded to one Ti(5), one Fe(10), one Fe(13), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. In the twenty-first O site, O(21) is bonded in a distorted see-saw-like geometry to one Ti(4), one Fe(11), 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(5), one Fe(10), one Fe(12), and one Fe(13) atom. In the twenty-third O site, O(23) is bonded to one Ti(4), one Fe(11), one Fe(13), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. 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(14) atom. In the twenty-fifth O site, O(25) is bonded in a distorted see-saw-like geometry to one Ti(4), one Ti(5), one Fe(13), and one Fe(8) atom. In the twenty-sixth O site, O(26) is bonded to one Ti(6), one Fe(1), one Fe(12), and one Fe(14) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(27)TiFe3 trigonal pyramid and  an edgeedge with one O(5)Ti2Fe2 trigonal pyramid. In the twenty-seventh O site, O(27) is bonded to one Ti(5), one Fe(10), one Fe(12), and one Fe(13) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. In the twenty-eighth O site, O(28) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(6), one Fe(1), and one Fe(14) atom. In the twenty-ninth O site, O(29) is bonded in a distorted see-saw-like geometry to one Ti(5), one Fe(10), one Fe(12), and one Fe(14) atom. In the thirtieth O site, O(30) is bonded in a distorted see-saw-like geometry to one Ti(6), one Fe(10), one Fe(12), and one Fe(14) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3Fe7O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.159
_cell_length_b   5.545
_cell_length_c   21.374
_cell_angle_alpha   95.461
_cell_angle_beta   89.676
_cell_angle_gamma   117.419
_symmetry_Int_Tables_number   1
_cell_volume   539.762
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.504  0.012  0.931  1.0
  Ti  Ti1  1  0.104  0.217  0.731  1.0
  Ti  Ti2  1  0.987  0.982  0.568  1.0
  Ti  Ti3  1  0.606  0.188  0.370  1.0
  Ti  Ti4  1  0.593  0.212  0.230  1.0
  Ti  Ti5  1  0.204  0.411  0.032  1.0
  Fe  Fe6  1  0.798  0.600  0.971  1.0
  Fe  Fe7  1  0.398  0.799  0.772  1.0
  Fe  Fe8  1  0.098  0.193  0.871  1.0
  Fe  Fe9  1  0.799  0.605  0.829  1.0
  Fe  Fe10  1  0.701  0.402  0.528  1.0
  Fe  Fe11  1  0.702  0.393  0.670  1.0
  Fe  Fe12  1  0.407  0.806  0.630  1.0
  Fe  Fe13  1  0.302  0.601  0.329  1.0
  Fe  Fe14  1  0.298  0.594  0.470  1.0
  Fe  Fe15  1  0.194  0.393  0.171  1.0
  Fe  Fe16  1  0.009  0.009  0.429  1.0
  Fe  Fe17  1  0.904  0.803  0.131  1.0
  Fe  Fe18  1  0.897  0.802  0.272  1.0
  Fe  Fe19  1  0.496  0.996  0.071  1.0
  O  O20  1  0.101  0.848  0.905  1.0
  O  O21  1  0.652  0.900  0.856  1.0
  O  O22  1  0.507  0.766  0.983  1.0
  O  O23  1  0.057  0.428  0.810  1.0
  O  O24  1  0.960  0.290  0.953  1.0
  O  O25  1  0.698  0.052  0.710  1.0
  O  O26  1  0.531  0.355  0.885  1.0
  O  O27  1  0.239  0.098  0.651  1.0
  O  O28  1  0.108  0.966  0.784  1.0
  O  O29  1  0.673  0.640  0.613  1.0
  O  O30  1  0.550  0.485  0.749  1.0
  O  O31  1  0.240  0.233  0.517  1.0
  O  O32  1  0.130  0.556  0.687  1.0
  O  O33  1  0.857  0.312  0.445  1.0
  O  O34  1  0.743  0.148  0.592  1.0
  O  O35  1  0.271  0.841  0.412  1.0
  O  O36  1  0.170  0.719  0.551  1.0
  O  O37  1  0.847  0.421  0.314  1.0
  O  O38  1  0.728  0.777  0.491  1.0
  O  O39  1  0.441  0.490  0.247  1.0
  O  O40  1  0.354  0.349  0.395  1.0
  O  O41  1  0.847  0.052  0.206  1.0
  O  O42  1  0.761  0.912  0.354  1.0
  O  O43  1  0.476  0.620  0.108  1.0
  O  O44  1  0.355  0.985  0.288  1.0
  O  O45  1  0.043  0.685  0.053  1.0
  O  O46  1  0.930  0.559  0.190  1.0
  O  O47  1  0.438  0.240  0.006  1.0
  O  O48  1  0.344  0.093  0.156  1.0
  O  O49  1  0.948  0.162  0.084  1.0
[/CIF]
.
The crystal structure described by Ti3Fe7O15 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(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 TiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-64°. In the second Ti site, Ti(2) 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 TiO6 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(7)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-61°. 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 TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra, edges with two equivalent Fe(7)O6 octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. In the fourth Ti site, Ti(4) 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(8)O6 octahedra, corners with three equivalent Fe(13)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Fe(11)O6 octahedra, and  a faceface with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-65°. In the fifth Ti site, Ti(5) 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 TiO6 octahedra that share  a cornercorner with one Fe(14)O6 octahedra, corners with two equivalent Fe(13)O6 octahedra, corners with three equivalent Fe(12)O6 octahedra, corners with three equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(4)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 39-64°. In the sixth Ti site, Ti(6) 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 TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(14)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(12)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  a faceface with one Fe(14)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. There are fourteen inequivalent Fe sites. In the first Fe site, Fe(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 FeO6 octahedra that share  a cornercorner with one Fe(12)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(14)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Ti(6)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. 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 Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the third Fe site, Fe(3) 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 FeO6 octahedra that share  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(2)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 50-60°. 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 Fe(6)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. 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(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Fe(11)O6 octahedra, corners with three equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(9)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the sixth Fe site, Fe(6) 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 FeO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(7)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 Ti(2)O6 octahedra, and  a faceface with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the seventh Fe site, Fe(7) 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(9)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, corners with three equivalent Ti(2)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 Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the eighth Fe site, Fe(8) 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 Fe(10)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Fe(11)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(13)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-65°. In the ninth Fe site, Fe(9) 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(7)O6 octahedra, corners with two equivalent Fe(11)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and  a faceface with one Fe(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. In the tenth Fe site, Fe(10) 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 FeO6 octahedra that share  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Fe(12)O6 octahedra, corners with three equivalent Fe(13)O6 octahedra, corners with three equivalent Fe(14)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, edges with two equivalent Ti(5)O6 octahedra, and  a faceface with one Fe(12)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. In the eleventh Fe site, Fe(11) 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 Fe(13)O6 octahedra, corners with two equivalent Fe(9)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and  a faceface with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. In the twelfth Fe site, Fe(12) 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 Fe(1)O6 octahedra, corners with two equivalent Fe(10)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(13)O6 octahedra, edges with two equivalent Fe(14)O6 octahedra, and  a faceface with one Fe(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the thirteenth Fe site, Fe(13) 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 FeO6 octahedra that share  a cornercorner with one Fe(11)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Fe(10)O6 octahedra,  an edgeedge with one Fe(12)O6 octahedra, edges with two equivalent Fe(8)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-64°. In the fourteenth Fe site, Fe(14) 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 Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(10)O6 octahedra,  an edgeedge with one Ti(1)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 53-63°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(1), one Fe(3), and one Fe(4) atom. In the second O site, O(2) 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 third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(6), one Fe(1), and one Fe(14) atom. In the fourth O site, O(4) 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(11)TiFe3 trigonal pyramid,  an edgeedge with one O(11)TiFe3 trigonal pyramid, and  an edgeedge with one O(13)TiFe3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(6), one Fe(1), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OTi2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(2), one Fe(6), 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 Fe(1), one Fe(3), and one Fe(4) atom. In the eighth O site, O(8) is bonded to one Ti(2), one Ti(3), one Fe(6), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OTi2Fe2 trigonal pyramids. 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(4) atom. In the tenth O site, O(10) is bonded to one Ti(3), one Fe(5), one Fe(6), and one Fe(7) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(11)TiFe3 trigonal pyramid,  a cornercorner with one O(17)TiFe3 trigonal pyramid, corners with two equivalent O(13)TiFe3 trigonal pyramids, corners with three equivalent O(8)Ti2Fe2 trigonal pyramids, and  an edgeedge with one O(17)TiFe3 trigonal pyramid. In the eleventh O site, O(11) 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(10)TiFe3 trigonal pyramid,  a cornercorner with one O(13)TiFe3 trigonal pyramid,  a cornercorner with one O(4)TiFe3 trigonal pyramid,  an edgeedge with one O(8)Ti2Fe2 trigonal pyramid,  an edgeedge with one O(13)TiFe3 trigonal pyramid, and  an edgeedge with one O(4)TiFe3 trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(11), one Fe(5), and one Fe(9) atom. In the thirteenth O site, O(13) is bonded to one Ti(2), one Fe(2), one Fe(6), and one Fe(7) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(11)TiFe3 trigonal pyramid,  a cornercorner with one O(17)TiFe3 trigonal pyramid, corners with two equivalent O(10)TiFe3 trigonal pyramids, corners with three equivalent O(8)Ti2Fe2 trigonal pyramids,  an edgeedge with one O(11)TiFe3 trigonal pyramid, and  an edgeedge with one O(4)TiFe3 trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ti(4), one Fe(11), one Fe(5), 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 Fe(5), one Fe(6), and one Fe(7) atom. In the sixteenth O site, O(16) is bonded to one Ti(4), one Fe(11), one Fe(8), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Ti(3), one Fe(5), one Fe(7), and one Fe(9) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(10)TiFe3 trigonal pyramid,  a cornercorner with one O(13)TiFe3 trigonal pyramid,  a cornercorner with one O(16)TiFe3 trigonal pyramid,  an edgeedge with one O(8)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(10)TiFe3 trigonal pyramid. In the eighteenth O site, O(18) is bonded in a distorted see-saw-like geometry to one Ti(4), one Ti(5), one Fe(13), and one Fe(8) atom. In the nineteenth O site, O(19) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(11), one Fe(5), and one Fe(9) atom. In the twentieth O site, O(20) is bonded to one Ti(5), one Fe(10), one Fe(13), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. In the twenty-first O site, O(21) is bonded in a distorted see-saw-like geometry to one Ti(4), one Fe(11), 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(5), one Fe(10), one Fe(12), and one Fe(13) atom. In the twenty-third O site, O(23) is bonded to one Ti(4), one Fe(11), one Fe(13), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. 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(14) atom. In the twenty-fifth O site, O(25) is bonded in a distorted see-saw-like geometry to one Ti(4), one Ti(5), one Fe(13), and one Fe(8) atom. In the twenty-sixth O site, O(26) is bonded to one Ti(6), one Fe(1), one Fe(12), and one Fe(14) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(27)TiFe3 trigonal pyramid and  an edgeedge with one O(5)Ti2Fe2 trigonal pyramid. In the twenty-seventh O site, O(27) is bonded to one Ti(5), one Fe(10), one Fe(12), and one Fe(13) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. In the twenty-eighth O site, O(28) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(6), one Fe(1), and one Fe(14) atom. In the twenty-ninth O site, O(29) is bonded in a distorted see-saw-like geometry to one Ti(5), one Fe(10), one Fe(12), and one Fe(14) atom. In the thirtieth O site, O(30) is bonded in a distorted see-saw-like geometry to one Ti(6), one Fe(10), one Fe(12), and one Fe(14) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti3Fe7O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.159
_cell_length_b   5.545
_cell_length_c   21.374
_cell_angle_alpha   95.461
_cell_angle_beta   89.676
_cell_angle_gamma   117.419
_symmetry_Int_Tables_number   1
_cell_volume   539.762
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.504  0.012  0.931  1.0
  Ti  Ti1  1  0.104  0.217  0.731  1.0
  Ti  Ti2  1  0.987  0.982  0.568  1.0
  Ti  Ti3  1  0.606  0.188  0.370  1.0
  Ti  Ti4  1  0.593  0.212  0.230  1.0
  Ti  Ti5  1  0.204  0.411  0.032  1.0
  Fe  Fe6  1  0.798  0.600  0.971  1.0
  Fe  Fe7  1  0.398  0.799  0.772  1.0
  Fe  Fe8  1  0.098  0.193  0.871  1.0
  Fe  Fe9  1  0.799  0.605  0.829  1.0
  Fe  Fe10  1  0.701  0.402  0.528  1.0
  Fe  Fe11  1  0.702  0.393  0.670  1.0
  Fe  Fe12  1  0.407  0.806  0.630  1.0
  Fe  Fe13  1  0.302  0.601  0.329  1.0
  Fe  Fe14  1  0.298  0.594  0.470  1.0
  Fe  Fe15  1  0.194  0.393  0.171  1.0
  Fe  Fe16  1  0.009  0.009  0.429  1.0
  Fe  Fe17  1  0.904  0.803  0.131  1.0
  Fe  Fe18  1  0.897  0.802  0.272  1.0
  Fe  Fe19  1  0.496  0.996  0.071  1.0
  O  O20  1  0.101  0.848  0.905  1.0
  O  O21  1  0.652  0.900  0.856  1.0
  O  O22  1  0.507  0.766  0.983  1.0
  O  O23  1  0.057  0.428  0.810  1.0
  O  O24  1  0.960  0.290  0.953  1.0
  O  O25  1  0.698  0.052  0.710  1.0
  O  O26  1  0.531  0.355  0.885  1.0
  O  O27  1  0.239  0.098  0.651  1.0
  O  O28  1  0.108  0.966  0.784  1.0
  O  O29  1  0.673  0.640  0.613  1.0
  O  O30  1  0.550  0.485  0.749  1.0
  O  O31  1  0.240  0.233  0.517  1.0
  O  O32  1  0.130  0.556  0.687  1.0
  O  O33  1  0.857  0.312  0.445  1.0
  O  O34  1  0.743  0.148  0.592  1.0
  O  O35  1  0.271  0.841  0.412  1.0
  O  O36  1  0.170  0.719  0.551  1.0
  O  O37  1  0.847  0.421  0.314  1.0
  O  O38  1  0.728  0.777  0.491  1.0
  O  O39  1  0.441  0.490  0.247  1.0
  O  O40  1  0.354  0.349  0.395  1.0
  O  O41  1  0.847  0.052  0.206  1.0
  O  O42  1  0.761  0.912  0.354  1.0
  O  O43  1  0.476  0.620  0.108  1.0
  O  O44  1  0.355  0.985  0.288  1.0
  O  O45  1  0.043  0.685  0.053  1.0
  O  O46  1  0.930  0.559  0.190  1.0
  O  O47  1  0.438  0.240  0.006  1.0
  O  O48  1  0.344  0.093  0.156  1.0
  O  O49  1  0.948  0.162  0.084  1.0
[/CIF]
.