The structure described by Ti7(Fe3O8)3 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(22), one O(24), one O(3), one O(4), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(9)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the second Ti site, Ti(2) is bonded to one O(11), one O(13), one O(15), one O(19), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(9)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  a faceface with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the third Ti site, Ti(3) is bonded to one O(12), one O(14), one O(4), one O(7), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the fourth Ti site, Ti(4) is bonded to one O(12), one O(14), one O(16), one O(17), one O(18), and one O(21) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  a faceface with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(11), one O(13), one O(16), one O(17), and one O(6) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(2)O6 pentagonal pyramid, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(18), one O(2), one O(21), one O(23), and one O(24) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(2)O6 pentagonal pyramid, and  a faceface with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the seventh Ti site, Ti(7) is bonded to one O(15), one O(19), one O(20), one O(22), one O(3), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(2)O6 pentagonal pyramid, and  a faceface with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(20), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  a cornercorner with one Fe(2)O6 pentagonal pyramid,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and  a faceface with one Fe(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 42-56°. In the second Fe site, Fe(2) is bonded to one O(10), one O(2), one O(20), one O(23), one O(5), and one O(6) atom to form distorted FeO6 pentagonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-65°. In the third Fe site, Fe(3) is bonded to one O(16), one O(24), one O(3), one O(4), one O(5), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra,  a cornercorner with one Fe(2)O6 pentagonal pyramid,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(14), one O(2), one O(4), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 pentagonal pyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-62°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(12), one O(13), one O(16), one O(3), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Fe(2)O6 pentagonal pyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(18), one O(20), one O(21), one O(23), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Fe(2)O6 pentagonal pyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  a faceface with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the seventh Fe site, Fe(7) is bonded to one O(12), one O(13), one O(17), one O(18), one O(21), and one O(22) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(14), one O(15), one O(19), one O(23), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra,  a cornercorner with one Fe(2)O6 pentagonal pyramid,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the ninth Fe site, Fe(9) is bonded to one O(15), one O(17), one O(19), one O(22), one O(24), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 pentagonal pyramid,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(6), one Fe(1), and one Fe(6) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(7)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid, and  an edgeedge with one O(23)TiFe3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(6), one Fe(1), one Fe(2), 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(7), one Fe(3), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), one Ti(3), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded to one Ti(7), one Fe(2), one Fe(3), and one Fe(9) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(16)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(7)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(23)TiFe3 trigonal pyramid, and  a cornercorner with one O(6)TiFe3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Ti(5), one Fe(1), one Fe(2), and one Fe(5) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(1)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(23)TiFe3 trigonal pyramid,  a cornercorner with one O(5)TiFe3 trigonal pyramid,  an edgeedge with one O(13)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(16)Ti2Fe2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Ti(1), one Ti(3), one Fe(3), and one Fe(4) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(1)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(16)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(5)TiFe3 trigonal pyramid, and  an edgeedge with one O(8)Ti2Fe2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Ti(2), one Ti(3), one Fe(1), and one Fe(4) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(1)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(13)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid, and  an edgeedge with one O(7)Ti2Fe2 trigonal pyramid. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(3), one Fe(6), and one Fe(8) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Ti(5), one Fe(1), one Fe(2), and one Fe(5) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(5), one Fe(4), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Ti(3), one Ti(4), one Fe(5), and one Fe(7) atom. In the thirteenth O site, O(13) is bonded to one Ti(2), one Ti(5), one Fe(5), and one Fe(7) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  an edgeedge with one O(16)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(6)TiFe3 trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ti(3), one Ti(4), one Fe(4), and one Fe(8) atom. In the fifteenth O site, O(15) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(7), one Fe(8), and one Fe(9) atom. In the sixteenth O site, O(16) is bonded to one Ti(4), one Ti(5), one Fe(3), and one Fe(5) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(7)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(5)TiFe3 trigonal pyramid,  an edgeedge with one O(13)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(6)TiFe3 trigonal pyramid. In the seventeenth O site, O(17) is bonded in a distorted see-saw-like geometry to one Ti(4), one Ti(5), one Fe(7), and one Fe(9) atom. In the eighteenth O site, O(18) is bonded in a distorted see-saw-like geometry to one Ti(4), one Ti(6), one Fe(6), and one Fe(7) atom. In the nineteenth O site, O(19) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(7), one Fe(8), and one Fe(9) atom. In the twentieth O site, O(20) is bonded in a distorted see-saw-like geometry to one Ti(7), one Fe(1), one Fe(2), and one Fe(6) atom. In the twenty-first O site, O(21) is bonded in a distorted see-saw-like geometry to one Ti(4), one Ti(6), one Fe(6), and one Fe(7) atom. In the twenty-second O site, O(22) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(7), one Fe(7), and one Fe(9) atom. In the twenty-third O site, O(23) is bonded to one Ti(6), one Fe(2), one Fe(6), and one Fe(8) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(5)TiFe3 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid, and  an edgeedge with one O(1)Ti2Fe2 trigonal pyramid. In the twenty-fourth O site, O(24) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(6), one Fe(3), and one Fe(9) atom. is represented by the CIF card [CIF]
data_Ti7(Fe3O8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.593
_cell_length_b   9.109
_cell_length_c   9.128
_cell_angle_alpha   68.628
_cell_angle_beta   84.824
_cell_angle_gamma   85.005
_symmetry_Int_Tables_number   1
_cell_volume   430.543
_cell_formula_units_Z   1
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  0.203  0.928  0.433  1.0
  Ti  Ti1  1  0.216  0.426  0.927  1.0
  Ti  Ti2  1  0.294  0.576  0.568  1.0
  Ti  Ti3  1  0.712  0.428  0.426  1.0
  Ti  Ti4  1  0.800  0.573  0.067  1.0
  Ti  Ti5  1  0.781  0.074  0.580  1.0
  Ti  Ti6  1  0.294  0.068  0.076  1.0
  Fe  Fe7  1  0.308  0.825  0.829  1.0
  Fe  Fe8  1  0.717  0.926  0.928  1.0
  Fe  Fe9  1  0.787  0.825  0.320  1.0
  Fe  Fe10  1  0.711  0.677  0.676  1.0
  Fe  Fe11  1  0.210  0.679  0.173  1.0
  Fe  Fe12  1  0.206  0.177  0.680  1.0
  Fe  Fe13  1  0.290  0.321  0.323  1.0
  Fe  Fe14  1  0.793  0.321  0.822  1.0
  Fe  Fe15  1  0.716  0.180  0.177  1.0
  O  O16  1  0.151  0.961  0.626  1.0
  O  O17  1  0.631  0.887  0.720  1.0
  O  O18  1  0.156  0.889  0.219  1.0
  O  O19  1  0.016  0.716  0.523  1.0
  O  O20  1  0.644  0.982  0.117  1.0
  O  O21  1  0.001  0.778  0.962  1.0
  O  O22  1  0.470  0.782  0.474  1.0
  O  O23  1  0.342  0.624  0.784  1.0
  O  O24  1  0.164  0.395  0.718  1.0
  O  O25  1  0.516  0.718  0.018  1.0
  O  O26  1  0.848  0.518  0.890  1.0
  O  O27  1  0.351  0.521  0.389  1.0
  O  O28  1  0.147  0.475  0.110  1.0
  O  O29  1  0.647  0.478  0.608  1.0
  O  O30  1  0.478  0.283  0.973  1.0
  O  O31  1  0.843  0.613  0.278  1.0
  O  O32  1  0.663  0.390  0.215  1.0
  O  O33  1  0.520  0.218  0.525  1.0
  O  O34  1  0.032  0.218  0.025  1.0
  O  O35  1  0.335  0.015  0.887  1.0
  O  O36  1  0.977  0.281  0.479  1.0
  O  O37  1  0.338  0.111  0.287  1.0
  O  O38  1  0.839  0.118  0.775  1.0
  O  O39  1  0.855  0.024  0.396  1.0
[/CIF]
.
The structure described by Ti7(Fe3O8)3 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(22), one O(24), one O(3), one O(4), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(9)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the second Ti site, Ti(2) is bonded to one O(11), one O(13), one O(15), one O(19), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(9)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  a faceface with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the third Ti site, Ti(3) is bonded to one O(12), one O(14), one O(4), one O(7), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the fourth Ti site, Ti(4) is bonded to one O(12), one O(14), one O(16), one O(17), one O(18), and one O(21) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  a faceface with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(11), one O(13), one O(16), one O(17), and one O(6) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(2)O6 pentagonal pyramid, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(18), one O(2), one O(21), one O(23), and one O(24) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Fe(2)O6 pentagonal pyramid, and  a faceface with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the seventh Ti site, Ti(7) is bonded to one O(15), one O(19), one O(20), one O(22), one O(3), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(2)O6 pentagonal pyramid, and  a faceface with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(20), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  a cornercorner with one Fe(2)O6 pentagonal pyramid,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and  a faceface with one Fe(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 42-56°. In the second Fe site, Fe(2) is bonded to one O(10), one O(2), one O(20), one O(23), one O(5), and one O(6) atom to form distorted FeO6 pentagonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-65°. In the third Fe site, Fe(3) is bonded to one O(16), one O(24), one O(3), one O(4), one O(5), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra,  a cornercorner with one Fe(2)O6 pentagonal pyramid,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(14), one O(2), one O(4), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 pentagonal pyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-62°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(12), one O(13), one O(16), one O(3), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Fe(2)O6 pentagonal pyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(18), one O(20), one O(21), one O(23), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Fe(2)O6 pentagonal pyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  a faceface with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the seventh Fe site, Fe(7) is bonded to one O(12), one O(13), one O(17), one O(18), one O(21), and one O(22) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(14), one O(15), one O(19), one O(23), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra,  a cornercorner with one Fe(2)O6 pentagonal pyramid,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the ninth Fe site, Fe(9) is bonded to one O(15), one O(17), one O(19), one O(22), one O(24), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 pentagonal pyramid,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(6), one Fe(1), and one Fe(6) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(7)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid, and  an edgeedge with one O(23)TiFe3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(6), one Fe(1), one Fe(2), 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(7), one Fe(3), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), one Ti(3), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded to one Ti(7), one Fe(2), one Fe(3), and one Fe(9) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(16)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(7)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(23)TiFe3 trigonal pyramid, and  a cornercorner with one O(6)TiFe3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Ti(5), one Fe(1), one Fe(2), and one Fe(5) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(1)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(23)TiFe3 trigonal pyramid,  a cornercorner with one O(5)TiFe3 trigonal pyramid,  an edgeedge with one O(13)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(16)Ti2Fe2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Ti(1), one Ti(3), one Fe(3), and one Fe(4) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(1)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(16)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(5)TiFe3 trigonal pyramid, and  an edgeedge with one O(8)Ti2Fe2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Ti(2), one Ti(3), one Fe(1), and one Fe(4) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(1)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(13)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid, and  an edgeedge with one O(7)Ti2Fe2 trigonal pyramid. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(3), one Fe(6), and one Fe(8) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Ti(5), one Fe(1), one Fe(2), and one Fe(5) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(5), one Fe(4), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Ti(3), one Ti(4), one Fe(5), and one Fe(7) atom. In the thirteenth O site, O(13) is bonded to one Ti(2), one Ti(5), one Fe(5), and one Fe(7) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(8)Ti2Fe2 trigonal pyramid,  an edgeedge with one O(16)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(6)TiFe3 trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ti(3), one Ti(4), one Fe(4), and one Fe(8) atom. In the fifteenth O site, O(15) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(7), one Fe(8), and one Fe(9) atom. In the sixteenth O site, O(16) is bonded to one Ti(4), one Ti(5), one Fe(3), and one Fe(5) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(7)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(5)TiFe3 trigonal pyramid,  an edgeedge with one O(13)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(6)TiFe3 trigonal pyramid. In the seventeenth O site, O(17) is bonded in a distorted see-saw-like geometry to one Ti(4), one Ti(5), one Fe(7), and one Fe(9) atom. In the eighteenth O site, O(18) is bonded in a distorted see-saw-like geometry to one Ti(4), one Ti(6), one Fe(6), and one Fe(7) atom. In the nineteenth O site, O(19) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(7), one Fe(8), and one Fe(9) atom. In the twentieth O site, O(20) is bonded in a distorted see-saw-like geometry to one Ti(7), one Fe(1), one Fe(2), and one Fe(6) atom. In the twenty-first O site, O(21) is bonded in a distorted see-saw-like geometry to one Ti(4), one Ti(6), one Fe(6), and one Fe(7) atom. In the twenty-second O site, O(22) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(7), one Fe(7), and one Fe(9) atom. In the twenty-third O site, O(23) is bonded to one Ti(6), one Fe(2), one Fe(6), and one Fe(8) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(5)TiFe3 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid, and  an edgeedge with one O(1)Ti2Fe2 trigonal pyramid. In the twenty-fourth O site, O(24) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(6), one Fe(3), and one Fe(9) atom. is represented by the CIF card [CIF]
data_Ti7(Fe3O8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.593
_cell_length_b   9.109
_cell_length_c   9.128
_cell_angle_alpha   68.628
_cell_angle_beta   84.824
_cell_angle_gamma   85.005
_symmetry_Int_Tables_number   1
_cell_volume   430.543
_cell_formula_units_Z   1
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  0.203  0.928  0.433  1.0
  Ti  Ti1  1  0.216  0.426  0.927  1.0
  Ti  Ti2  1  0.294  0.576  0.568  1.0
  Ti  Ti3  1  0.712  0.428  0.426  1.0
  Ti  Ti4  1  0.800  0.573  0.067  1.0
  Ti  Ti5  1  0.781  0.074  0.580  1.0
  Ti  Ti6  1  0.294  0.068  0.076  1.0
  Fe  Fe7  1  0.308  0.825  0.829  1.0
  Fe  Fe8  1  0.717  0.926  0.928  1.0
  Fe  Fe9  1  0.787  0.825  0.320  1.0
  Fe  Fe10  1  0.711  0.677  0.676  1.0
  Fe  Fe11  1  0.210  0.679  0.173  1.0
  Fe  Fe12  1  0.206  0.177  0.680  1.0
  Fe  Fe13  1  0.290  0.321  0.323  1.0
  Fe  Fe14  1  0.793  0.321  0.822  1.0
  Fe  Fe15  1  0.716  0.180  0.177  1.0
  O  O16  1  0.151  0.961  0.626  1.0
  O  O17  1  0.631  0.887  0.720  1.0
  O  O18  1  0.156  0.889  0.219  1.0
  O  O19  1  0.016  0.716  0.523  1.0
  O  O20  1  0.644  0.982  0.117  1.0
  O  O21  1  0.001  0.778  0.962  1.0
  O  O22  1  0.470  0.782  0.474  1.0
  O  O23  1  0.342  0.624  0.784  1.0
  O  O24  1  0.164  0.395  0.718  1.0
  O  O25  1  0.516  0.718  0.018  1.0
  O  O26  1  0.848  0.518  0.890  1.0
  O  O27  1  0.351  0.521  0.389  1.0
  O  O28  1  0.147  0.475  0.110  1.0
  O  O29  1  0.647  0.478  0.608  1.0
  O  O30  1  0.478  0.283  0.973  1.0
  O  O31  1  0.843  0.613  0.278  1.0
  O  O32  1  0.663  0.390  0.215  1.0
  O  O33  1  0.520  0.218  0.525  1.0
  O  O34  1  0.032  0.218  0.025  1.0
  O  O35  1  0.335  0.015  0.887  1.0
  O  O36  1  0.977  0.281  0.479  1.0
  O  O37  1  0.338  0.111  0.287  1.0
  O  O38  1  0.839  0.118  0.775  1.0
  O  O39  1  0.855  0.024  0.396  1.0
[/CIF]
.