The compound described by Ti3Fe5O12 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(20), one O(22), one O(24), 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(2)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. In the second Ti site, Ti(2) is bonded to one O(12), one O(16), one O(17), one O(19), one O(4), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Fe(10)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, corners with two equivalent Fe(9)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. In the third Ti site, Ti(3) is bonded to one O(1), one O(10), one O(18), one O(20), one O(23), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-64°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(16), one O(2), one O(3), one O(4), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  a faceface with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. In the fifth Ti site, Ti(5) is bonded to one O(13), one O(17), one O(21), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  a faceface with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. In the sixth Ti site, Ti(6) is bonded to one O(12), one O(14), one O(15), one O(19), one O(22), and one O(24) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  a faceface with one Fe(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-63°. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(15), one O(2), one O(20), one O(24), 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 Fe(3)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Fe(10)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(13), 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 Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, corners with two equivalent Fe(9)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the third Fe site, Fe(3) is bonded to one O(10), one O(13), one O(3), one O(4), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra,  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 Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(18), one O(23), one O(24), one O(3), and one O(5) 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(6)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(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 47-61°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(12), one O(16), one O(19), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(10)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 42-66°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(11), 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, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the seventh Fe site, Fe(7) is bonded to one O(14), one O(18), one O(21), one O(22), one O(23), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Fe(10)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(6)O6 octahedra, and  a faceface with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the eighth Fe site, Fe(8) is bonded to one O(14), one O(15), one O(17), one O(18), one O(21), and one O(23) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and  a faceface with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-63°. In the ninth Fe site, Fe(9) is bonded to one O(13), one O(14), one O(16), one O(17), one O(6), and one O(9) 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, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-63°. In the tenth Fe site, Fe(10) is bonded to one O(12), one O(15), one O(19), one O(20), one O(21), and one O(22) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(2)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 Fe(5)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 46-64°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded to one Ti(1), one Ti(4), one Fe(1), and one Fe(6) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(15)TiFe3 trigonal pyramid,  an edgeedge with one O(4)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(11)TiFe3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ti(4), one Fe(2), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded to one Ti(2), one Ti(4), one Fe(3), and one Fe(6) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(12)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(17)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid,  an edgeedge with one O(2)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(11)TiFe3 trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded to one Ti(5), one Fe(2), one Fe(3), and one Fe(9) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(4)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(11)TiFe3 trigonal pyramid,  an edgeedge with one O(17)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(9)TiFe3 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(4), one Fe(1), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(5), one Fe(5), and one Fe(6) atom. In the ninth O site, O(9) is bonded to one Ti(5), one Fe(5), one Fe(7), and one Fe(9) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(12)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(11)TiFe3 trigonal pyramid,  a cornercorner with one O(18)TiFe3 trigonal pyramid,  an edgeedge with one O(17)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(6)TiFe3 trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(2), one Fe(3), and one Fe(6) atom. In the eleventh O site, O(11) is bonded to one Ti(4), one Fe(2), one Fe(5), and one Fe(6) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(12)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid,  a cornercorner with one O(9)TiFe3 trigonal pyramid,  an edgeedge with one O(2)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(4)Ti2Fe2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ti(2), one Ti(6), one Fe(10), and one Fe(5) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(17)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(4)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(11)TiFe3 trigonal pyramid,  a cornercorner with one O(9)TiFe3 trigonal pyramid, and  an edgeedge with one O(15)TiFe3 trigonal pyramid. In the thirteenth O site, O(13) is bonded in a distorted see-saw-like geometry to one Ti(5), one Fe(2), one Fe(3), and one Fe(9) atom. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ti(6), one Fe(7), one Fe(8), and one Fe(9) atom. In the fifteenth O site, O(15) is bonded to one Ti(6), one Fe(1), one Fe(10), and one Fe(8) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(17)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(2)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(18)TiFe3 trigonal pyramid, and  an edgeedge with one O(12)Ti2Fe2 trigonal pyramid. In the sixteenth O site, O(16) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(4), one Fe(5), and one Fe(9) atom. In the seventeenth O site, O(17) is bonded to one Ti(2), one Ti(5), one Fe(8), and one Fe(9) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(12)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(4)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(15)TiFe3 trigonal pyramid,  a cornercorner with one O(18)TiFe3 trigonal pyramid,  an edgeedge with one O(6)TiFe3 trigonal pyramid, and  an edgeedge with one O(9)TiFe3 trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Ti(3), one Fe(4), one Fe(7), and one Fe(8) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(17)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(15)TiFe3 trigonal pyramid, and  a cornercorner with one O(9)TiFe3 trigonal pyramid. In the nineteenth O site, O(19) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(6), one Fe(10), and one Fe(5) atom. In the twentieth O site, O(20) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(3), one Fe(1), and one Fe(10) atom. In the twenty-first O site, O(21) is bonded in a distorted see-saw-like geometry to one Ti(5), one Fe(10), one Fe(7), and one Fe(8) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(6), one Fe(10), and one Fe(7) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Ti(3), one Fe(4), one Fe(7), and one Fe(8) atom. 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(1), and one Fe(4) atom. is represented by the CIF file [CIF]
data_Ti3Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.576
_cell_length_b   7.553
_cell_length_c   10.339
_cell_angle_alpha   89.869
_cell_angle_beta   89.913
_cell_angle_gamma   84.409
_symmetry_Int_Tables_number   1
_cell_volume   433.375
_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  0.712  0.356  0.001  1.0
  Ti  Ti1  1  0.297  0.142  0.504  1.0
  Ti  Ti2  1  0.704  0.854  0.005  1.0
  Ti  Ti3  1  0.200  0.359  0.747  1.0
  Ti  Ti4  1  0.706  0.851  0.499  1.0
  Ti  Ti5  1  0.218  0.345  0.252  1.0
  Fe  Fe6  1  0.290  0.145  0.999  1.0
  Fe  Fe7  1  0.790  0.647  0.749  1.0
  Fe  Fe8  1  0.210  0.851  0.751  1.0
  Fe  Fe9  1  0.287  0.646  0.002  1.0
  Fe  Fe10  1  0.715  0.361  0.502  1.0
  Fe  Fe11  1  0.779  0.141  0.753  1.0
  Fe  Fe12  1  0.795  0.651  0.250  1.0
  Fe  Fe13  1  0.212  0.855  0.247  1.0
  Fe  Fe14  1  0.285  0.644  0.495  1.0
  Fe  Fe15  1  0.794  0.145  0.251  1.0
  O  O16  1  0.667  0.584  0.924  1.0
  O  O17  1  0.990  0.257  0.913  1.0
  O  O18  1  0.157  0.591  0.815  1.0
  O  O19  1  0.165  0.096  0.670  1.0
  O  O20  1  0.354  0.905  0.919  1.0
  O  O21  1  0.502  0.750  0.655  1.0
  O  O22  1  0.469  0.265  0.852  1.0
  O  O23  1  0.648  0.087  0.565  1.0
  O  O24  1  0.649  0.610  0.420  1.0
  O  O25  1  0.851  0.891  0.836  1.0
  O  O26  1  0.856  0.399  0.682  1.0
  O  O27  1  0.032  0.246  0.404  1.0
  O  O28  1  0.981  0.761  0.599  1.0
  O  O29  1  0.150  0.582  0.311  1.0
  O  O30  1  0.157  0.108  0.172  1.0
  O  O31  1  0.341  0.391  0.589  1.0
  O  O32  1  0.349  0.917  0.432  1.0
  O  O33  1  0.518  0.755  0.147  1.0
  O  O34  1  0.488  0.262  0.347  1.0
  O  O35  1  0.655  0.093  0.062  1.0
  O  O36  1  0.844  0.896  0.339  1.0
  O  O37  1  0.841  0.407  0.163  1.0
  O  O38  1  0.979  0.764  0.092  1.0
  O  O39  1  0.362  0.392  0.086  1.0
[/CIF]
.
The compound described by Ti3Fe5O12 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(20), one O(22), one O(24), 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(2)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. In the second Ti site, Ti(2) is bonded to one O(12), one O(16), one O(17), one O(19), one O(4), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Fe(10)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, corners with two equivalent Fe(9)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. In the third Ti site, Ti(3) is bonded to one O(1), one O(10), one O(18), one O(20), one O(23), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-64°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(16), one O(2), one O(3), one O(4), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  a faceface with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. In the fifth Ti site, Ti(5) is bonded to one O(13), one O(17), one O(21), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  a faceface with one Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. In the sixth Ti site, Ti(6) is bonded to one O(12), one O(14), one O(15), one O(19), one O(22), and one O(24) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with two equivalent Fe(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra, and  a faceface with one Fe(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-63°. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(15), one O(2), one O(20), one O(24), 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 Fe(3)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Fe(10)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(13), 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 Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, corners with two equivalent Fe(9)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the third Fe site, Fe(3) is bonded to one O(10), one O(13), one O(3), one O(4), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra,  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 Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(18), one O(23), one O(24), one O(3), and one O(5) 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(6)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Ti(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 47-61°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(12), one O(16), one O(19), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(10)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 42-66°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(11), 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, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the seventh Fe site, Fe(7) is bonded to one O(14), one O(18), one O(21), one O(22), one O(23), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with two equivalent Fe(10)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(6)O6 octahedra, and  a faceface with one Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the eighth Fe site, Fe(8) is bonded to one O(14), one O(15), one O(17), one O(18), one O(21), and one O(23) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and  a faceface with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-63°. In the ninth Fe site, Fe(9) is bonded to one O(13), one O(14), one O(16), one O(17), one O(6), and one O(9) 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, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-63°. In the tenth Fe site, Fe(10) is bonded to one O(12), one O(15), one O(19), one O(20), one O(21), and one O(22) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra, corners with two equivalent Ti(2)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 Fe(5)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 46-64°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded to one Ti(1), one Ti(4), one Fe(1), and one Fe(6) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(15)TiFe3 trigonal pyramid,  an edgeedge with one O(4)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(11)TiFe3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ti(4), one Fe(2), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded to one Ti(2), one Ti(4), one Fe(3), and one Fe(6) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(12)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(17)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid,  an edgeedge with one O(2)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(11)TiFe3 trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded to one Ti(5), one Fe(2), one Fe(3), and one Fe(9) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(4)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(11)TiFe3 trigonal pyramid,  an edgeedge with one O(17)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(9)TiFe3 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(4), one Fe(1), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(5), one Fe(5), and one Fe(6) atom. In the ninth O site, O(9) is bonded to one Ti(5), one Fe(5), one Fe(7), and one Fe(9) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(12)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(11)TiFe3 trigonal pyramid,  a cornercorner with one O(18)TiFe3 trigonal pyramid,  an edgeedge with one O(17)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(6)TiFe3 trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(2), one Fe(3), and one Fe(6) atom. In the eleventh O site, O(11) is bonded to one Ti(4), one Fe(2), one Fe(5), and one Fe(6) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(12)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid,  a cornercorner with one O(9)TiFe3 trigonal pyramid,  an edgeedge with one O(2)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(4)Ti2Fe2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Ti(2), one Ti(6), one Fe(10), and one Fe(5) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(17)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(4)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(11)TiFe3 trigonal pyramid,  a cornercorner with one O(9)TiFe3 trigonal pyramid, and  an edgeedge with one O(15)TiFe3 trigonal pyramid. In the thirteenth O site, O(13) is bonded in a distorted see-saw-like geometry to one Ti(5), one Fe(2), one Fe(3), and one Fe(9) atom. In the fourteenth O site, O(14) is bonded in a distorted see-saw-like geometry to one Ti(6), one Fe(7), one Fe(8), and one Fe(9) atom. In the fifteenth O site, O(15) is bonded to one Ti(6), one Fe(1), one Fe(10), and one Fe(8) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(17)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(2)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(18)TiFe3 trigonal pyramid, and  an edgeedge with one O(12)Ti2Fe2 trigonal pyramid. In the sixteenth O site, O(16) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(4), one Fe(5), and one Fe(9) atom. In the seventeenth O site, O(17) is bonded to one Ti(2), one Ti(5), one Fe(8), and one Fe(9) atom to form distorted OTi2Fe2 trigonal pyramids that share  a cornercorner with one O(12)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(4)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(15)TiFe3 trigonal pyramid,  a cornercorner with one O(18)TiFe3 trigonal pyramid,  an edgeedge with one O(6)TiFe3 trigonal pyramid, and  an edgeedge with one O(9)TiFe3 trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Ti(3), one Fe(4), one Fe(7), and one Fe(8) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(17)Ti2Fe2 trigonal pyramid,  a cornercorner with one O(15)TiFe3 trigonal pyramid, and  a cornercorner with one O(9)TiFe3 trigonal pyramid. In the nineteenth O site, O(19) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(6), one Fe(10), and one Fe(5) atom. In the twentieth O site, O(20) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(3), one Fe(1), and one Fe(10) atom. In the twenty-first O site, O(21) is bonded in a distorted see-saw-like geometry to one Ti(5), one Fe(10), one Fe(7), and one Fe(8) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(6), one Fe(10), and one Fe(7) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Ti(3), one Fe(4), one Fe(7), and one Fe(8) atom. 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(1), and one Fe(4) atom. is represented by the CIF file [CIF]
data_Ti3Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.576
_cell_length_b   7.553
_cell_length_c   10.339
_cell_angle_alpha   89.869
_cell_angle_beta   89.913
_cell_angle_gamma   84.409
_symmetry_Int_Tables_number   1
_cell_volume   433.375
_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  0.712  0.356  0.001  1.0
  Ti  Ti1  1  0.297  0.142  0.504  1.0
  Ti  Ti2  1  0.704  0.854  0.005  1.0
  Ti  Ti3  1  0.200  0.359  0.747  1.0
  Ti  Ti4  1  0.706  0.851  0.499  1.0
  Ti  Ti5  1  0.218  0.345  0.252  1.0
  Fe  Fe6  1  0.290  0.145  0.999  1.0
  Fe  Fe7  1  0.790  0.647  0.749  1.0
  Fe  Fe8  1  0.210  0.851  0.751  1.0
  Fe  Fe9  1  0.287  0.646  0.002  1.0
  Fe  Fe10  1  0.715  0.361  0.502  1.0
  Fe  Fe11  1  0.779  0.141  0.753  1.0
  Fe  Fe12  1  0.795  0.651  0.250  1.0
  Fe  Fe13  1  0.212  0.855  0.247  1.0
  Fe  Fe14  1  0.285  0.644  0.495  1.0
  Fe  Fe15  1  0.794  0.145  0.251  1.0
  O  O16  1  0.667  0.584  0.924  1.0
  O  O17  1  0.990  0.257  0.913  1.0
  O  O18  1  0.157  0.591  0.815  1.0
  O  O19  1  0.165  0.096  0.670  1.0
  O  O20  1  0.354  0.905  0.919  1.0
  O  O21  1  0.502  0.750  0.655  1.0
  O  O22  1  0.469  0.265  0.852  1.0
  O  O23  1  0.648  0.087  0.565  1.0
  O  O24  1  0.649  0.610  0.420  1.0
  O  O25  1  0.851  0.891  0.836  1.0
  O  O26  1  0.856  0.399  0.682  1.0
  O  O27  1  0.032  0.246  0.404  1.0
  O  O28  1  0.981  0.761  0.599  1.0
  O  O29  1  0.150  0.582  0.311  1.0
  O  O30  1  0.157  0.108  0.172  1.0
  O  O31  1  0.341  0.391  0.589  1.0
  O  O32  1  0.349  0.917  0.432  1.0
  O  O33  1  0.518  0.755  0.147  1.0
  O  O34  1  0.488  0.262  0.347  1.0
  O  O35  1  0.655  0.093  0.062  1.0
  O  O36  1  0.844  0.896  0.339  1.0
  O  O37  1  0.841  0.407  0.163  1.0
  O  O38  1  0.979  0.764  0.092  1.0
  O  O39  1  0.362  0.392  0.086  1.0
[/CIF]
.