The material described by Ti3Fe5O12 is Ilmenite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(12), one O(4), one O(6), one O(9), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(5)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 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the second Ti site, Ti(2) is bonded to one O(11), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-64°. In the third Ti site, Ti(3) is bonded to one O(1), one O(10), one O(2), one O(7), and two equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(1) atoms to form distorted FeO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(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(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(12), one O(6), one O(8), and two equivalent O(9) atoms to form distorted FeO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the fifth Fe site, Fe(5) 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(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-64°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ti(3), one Fe(2), and two equivalent Fe(1) atoms to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(11)TiFe3 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid, corners with three equivalent O(2)Ti2Fe2 trigonal pyramids, corners with three equivalent O(3)TiFe3 trigonal pyramids, and  an edgeedge with one O(1)TiFe3 trigonal pyramid. In the second O site, O(2) is bonded to one Ti(2), one Ti(3), one Fe(1), and one Fe(5) atom to form distorted OTi2Fe2 trigonal pyramids that share corners with two equivalent O(3)TiFe3 trigonal pyramids, corners with three equivalent O(1)TiFe3 trigonal pyramids,  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 to one Ti(2), one Fe(1), one Fe(2), and one Fe(3) atom to form distorted OTiFe3 trigonal pyramids that share corners with two equivalent O(2)Ti2Fe2 trigonal pyramids, corners with two equivalent O(4)Ti2Fe2 trigonal pyramids, corners with two equivalent O(6)TiFe3 trigonal pyramids, corners with three equivalent O(1)TiFe3 trigonal pyramids, and  an edgeedge with one O(11)TiFe3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Ti(1), one Ti(2), one Fe(3), and one Fe(5) atom to form distorted OTi2Fe2 trigonal pyramids that share corners with two equivalent O(3)TiFe3 trigonal pyramids, corners with two equivalent O(6)TiFe3 trigonal pyramids,  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 two equivalent Ti(3), one Fe(1), and one Fe(3) atom. In the sixth O site, O(6) is bonded to one Ti(1), one Fe(2), one Fe(3), and one Fe(4) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(1)TiFe3 trigonal pyramid, corners with two equivalent O(4)Ti2Fe2 trigonal pyramids, corners with two equivalent O(11)TiFe3 trigonal pyramids, and corners with two equivalent O(3)TiFe3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(3), one Fe(1), and one Fe(5) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to two equivalent Ti(1), one Fe(4), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Fe(4) atoms. 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(5) atom. In the eleventh O site, O(11) is bonded to one Ti(2), one Fe(2), one Fe(4), and one Fe(5) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(1)TiFe3 trigonal pyramid, corners with two equivalent O(6)TiFe3 trigonal pyramids,  an edgeedge with one O(2)Ti2Fe2 trigonal pyramid,  an edgeedge with one O(4)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(3)TiFe3 trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(2), one Fe(3), 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   5.533
_cell_length_b   7.578
_cell_length_c   10.281
_cell_angle_alpha   89.949
_cell_angle_beta   89.748
_cell_angle_gamma   83.523
_symmetry_Int_Tables_number   1
_cell_volume   428.296
_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  0.290  0.143  0.495  1.0
  Ti  Ti1  1  0.798  0.645  0.255  1.0
  Ti  Ti2  1  0.202  0.355  0.745  1.0
  Ti  Ti3  1  0.286  0.143  1.000  1.0
  Ti  Ti4  1  0.710  0.857  0.505  1.0
  Ti  Ti5  1  0.714  0.857  0.000  1.0
  Fe  Fe6  1  0.703  0.357  0.003  1.0
  Fe  Fe7  1  0.791  0.650  0.751  1.0
  Fe  Fe8  1  0.205  0.850  0.748  1.0
  Fe  Fe9  1  0.297  0.643  0.997  1.0
  Fe  Fe10  1  0.711  0.354  0.501  1.0
  Fe  Fe11  1  0.789  0.149  0.749  1.0
  Fe  Fe12  1  0.211  0.851  0.251  1.0
  Fe  Fe13  1  0.289  0.646  0.499  1.0
  Fe  Fe14  1  0.795  0.150  0.252  1.0
  Fe  Fe15  1  0.209  0.350  0.249  1.0
  O  O16  1  0.647  0.599  0.924  1.0
  O  O17  1  0.008  0.250  0.912  1.0
  O  O18  1  0.163  0.589  0.826  1.0
  O  O19  1  0.161  0.108  0.670  1.0
  O  O20  1  0.352  0.910  0.931  1.0
  O  O21  1  0.516  0.753  0.649  1.0
  O  O22  1  0.483  0.257  0.851  1.0
  O  O23  1  0.651  0.087  0.567  1.0
  O  O24  1  0.655  0.606  0.413  1.0
  O  O25  1  0.847  0.894  0.839  1.0
  O  O26  1  0.863  0.410  0.683  1.0
  O  O27  1  0.016  0.240  0.402  1.0
  O  O28  1  0.984  0.760  0.598  1.0
  O  O29  1  0.137  0.590  0.317  1.0
  O  O30  1  0.153  0.106  0.161  1.0
  O  O31  1  0.345  0.394  0.587  1.0
  O  O32  1  0.349  0.913  0.433  1.0
  O  O33  1  0.517  0.743  0.149  1.0
  O  O34  1  0.484  0.247  0.351  1.0
  O  O35  1  0.648  0.090  0.069  1.0
  O  O36  1  0.839  0.892  0.330  1.0
  O  O37  1  0.837  0.411  0.174  1.0
  O  O38  1  0.992  0.750  0.088  1.0
  O  O39  1  0.353  0.401  0.076  1.0
[/CIF]
.
The material described by Ti3Fe5O12 is Ilmenite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(12), one O(4), one O(6), one O(9), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(5)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 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the second Ti site, Ti(2) is bonded to one O(11), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-64°. In the third Ti site, Ti(3) is bonded to one O(1), one O(10), one O(2), one O(7), and two equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(1) atoms to form distorted FeO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(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(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(12), one O(6), one O(8), and two equivalent O(9) atoms to form distorted FeO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the fifth Fe site, Fe(5) 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(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-64°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ti(3), one Fe(2), and two equivalent Fe(1) atoms to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(11)TiFe3 trigonal pyramid,  a cornercorner with one O(6)TiFe3 trigonal pyramid, corners with three equivalent O(2)Ti2Fe2 trigonal pyramids, corners with three equivalent O(3)TiFe3 trigonal pyramids, and  an edgeedge with one O(1)TiFe3 trigonal pyramid. In the second O site, O(2) is bonded to one Ti(2), one Ti(3), one Fe(1), and one Fe(5) atom to form distorted OTi2Fe2 trigonal pyramids that share corners with two equivalent O(3)TiFe3 trigonal pyramids, corners with three equivalent O(1)TiFe3 trigonal pyramids,  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 to one Ti(2), one Fe(1), one Fe(2), and one Fe(3) atom to form distorted OTiFe3 trigonal pyramids that share corners with two equivalent O(2)Ti2Fe2 trigonal pyramids, corners with two equivalent O(4)Ti2Fe2 trigonal pyramids, corners with two equivalent O(6)TiFe3 trigonal pyramids, corners with three equivalent O(1)TiFe3 trigonal pyramids, and  an edgeedge with one O(11)TiFe3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Ti(1), one Ti(2), one Fe(3), and one Fe(5) atom to form distorted OTi2Fe2 trigonal pyramids that share corners with two equivalent O(3)TiFe3 trigonal pyramids, corners with two equivalent O(6)TiFe3 trigonal pyramids,  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 two equivalent Ti(3), one Fe(1), and one Fe(3) atom. In the sixth O site, O(6) is bonded to one Ti(1), one Fe(2), one Fe(3), and one Fe(4) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(1)TiFe3 trigonal pyramid, corners with two equivalent O(4)Ti2Fe2 trigonal pyramids, corners with two equivalent O(11)TiFe3 trigonal pyramids, and corners with two equivalent O(3)TiFe3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(3), one Fe(1), and one Fe(5) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to two equivalent Ti(1), one Fe(4), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Fe(4) atoms. 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(5) atom. In the eleventh O site, O(11) is bonded to one Ti(2), one Fe(2), one Fe(4), and one Fe(5) atom to form distorted OTiFe3 trigonal pyramids that share  a cornercorner with one O(1)TiFe3 trigonal pyramid, corners with two equivalent O(6)TiFe3 trigonal pyramids,  an edgeedge with one O(2)Ti2Fe2 trigonal pyramid,  an edgeedge with one O(4)Ti2Fe2 trigonal pyramid, and  an edgeedge with one O(3)TiFe3 trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(2), one Fe(3), 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   5.533
_cell_length_b   7.578
_cell_length_c   10.281
_cell_angle_alpha   89.949
_cell_angle_beta   89.748
_cell_angle_gamma   83.523
_symmetry_Int_Tables_number   1
_cell_volume   428.296
_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  0.290  0.143  0.495  1.0
  Ti  Ti1  1  0.798  0.645  0.255  1.0
  Ti  Ti2  1  0.202  0.355  0.745  1.0
  Ti  Ti3  1  0.286  0.143  1.000  1.0
  Ti  Ti4  1  0.710  0.857  0.505  1.0
  Ti  Ti5  1  0.714  0.857  0.000  1.0
  Fe  Fe6  1  0.703  0.357  0.003  1.0
  Fe  Fe7  1  0.791  0.650  0.751  1.0
  Fe  Fe8  1  0.205  0.850  0.748  1.0
  Fe  Fe9  1  0.297  0.643  0.997  1.0
  Fe  Fe10  1  0.711  0.354  0.501  1.0
  Fe  Fe11  1  0.789  0.149  0.749  1.0
  Fe  Fe12  1  0.211  0.851  0.251  1.0
  Fe  Fe13  1  0.289  0.646  0.499  1.0
  Fe  Fe14  1  0.795  0.150  0.252  1.0
  Fe  Fe15  1  0.209  0.350  0.249  1.0
  O  O16  1  0.647  0.599  0.924  1.0
  O  O17  1  0.008  0.250  0.912  1.0
  O  O18  1  0.163  0.589  0.826  1.0
  O  O19  1  0.161  0.108  0.670  1.0
  O  O20  1  0.352  0.910  0.931  1.0
  O  O21  1  0.516  0.753  0.649  1.0
  O  O22  1  0.483  0.257  0.851  1.0
  O  O23  1  0.651  0.087  0.567  1.0
  O  O24  1  0.655  0.606  0.413  1.0
  O  O25  1  0.847  0.894  0.839  1.0
  O  O26  1  0.863  0.410  0.683  1.0
  O  O27  1  0.016  0.240  0.402  1.0
  O  O28  1  0.984  0.760  0.598  1.0
  O  O29  1  0.137  0.590  0.317  1.0
  O  O30  1  0.153  0.106  0.161  1.0
  O  O31  1  0.345  0.394  0.587  1.0
  O  O32  1  0.349  0.913  0.433  1.0
  O  O33  1  0.517  0.743  0.149  1.0
  O  O34  1  0.484  0.247  0.351  1.0
  O  O35  1  0.648  0.090  0.069  1.0
  O  O36  1  0.839  0.892  0.330  1.0
  O  O37  1  0.837  0.411  0.174  1.0
  O  O38  1  0.992  0.750  0.088  1.0
  O  O39  1  0.353  0.401  0.076  1.0
[/CIF]
.