The material described by Ti3Fe5O12 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second Ti site, Ti(2) is bonded to one O(1), one O(11), one O(5), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-65°. In the third Ti site, Ti(3) is bonded to one O(10), one O(12), 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(5)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-62°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-59°. In the third Fe site, Fe(3) is bonded to one O(11), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-65°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(3), one Fe(1), and one Fe(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(2), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(1), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded to one Ti(2), one Fe(2), one Fe(3), and one Fe(4) atom to form distorted corner-sharing OTiFe3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ti(1), 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 one Ti(1), one Ti(2), one Fe(1), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(2), one Fe(3), and one Fe(5) atom. In the tenth O site, O(10) is bonded to one Ti(1), one Ti(3), one Fe(2), and one Fe(5) atom to form distorted corner-sharing OTi2Fe2 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(2), one Fe(3), and one Fe(4) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(3), 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   5.157
_cell_length_b   5.544
_cell_length_c   7.594
_cell_angle_alpha   95.320
_cell_angle_beta   90.235
_cell_angle_gamma   90.032
_symmetry_Int_Tables_number   1
_cell_volume   216.194
_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  0.002  0.287  0.358  1.0
  Ti  Ti1  1  0.995  0.304  0.861  1.0
  Ti  Ti2  1  0.506  0.783  0.349  1.0
  Fe  Fe3  1  0.999  0.714  0.139  1.0
  Fe  Fe4  1  0.501  0.206  0.647  1.0
  Fe  Fe5  1  0.501  0.791  0.854  1.0
  Fe  Fe6  1  0.999  0.717  0.645  1.0
  Fe  Fe7  1  0.499  0.209  0.142  1.0
  O  O8  1  0.150  0.334  0.583  1.0
  O  O9  1  0.190  0.023  0.267  1.0
  O  O10  1  0.376  0.850  0.584  1.0
  O  O11  1  0.627  0.839  0.101  1.0
  O  O12  1  0.166  0.638  0.891  1.0
  O  O13  1  0.692  0.496  0.758  1.0
  O  O14  1  0.305  0.517  0.268  1.0
  O  O15  1  0.872  0.330  0.091  1.0
  O  O16  1  0.319  0.147  0.886  1.0
  O  O17  1  0.679  0.151  0.409  1.0
  O  O18  1  0.800  0.023  0.766  1.0
  O  O19  1  0.822  0.642  0.399  1.0
[/CIF]
.
The material described by Ti3Fe5O12 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second Ti site, Ti(2) is bonded to one O(1), one O(11), one O(5), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-65°. In the third Ti site, Ti(3) is bonded to one O(10), one O(12), 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(5)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-62°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-59°. In the third Fe site, Fe(3) is bonded to one O(11), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-65°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(3), one Fe(1), and one Fe(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(2), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ti(3), one Fe(1), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded to one Ti(2), one Fe(2), one Fe(3), and one Fe(4) atom to form distorted corner-sharing OTiFe3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ti(1), 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 one Ti(1), one Ti(2), one Fe(1), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(2), one Fe(3), and one Fe(5) atom. In the tenth O site, O(10) is bonded to one Ti(1), one Ti(3), one Fe(2), and one Fe(5) atom to form distorted corner-sharing OTi2Fe2 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Ti(2), one Fe(2), one Fe(3), and one Fe(4) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(3), 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   5.157
_cell_length_b   5.544
_cell_length_c   7.594
_cell_angle_alpha   95.320
_cell_angle_beta   90.235
_cell_angle_gamma   90.032
_symmetry_Int_Tables_number   1
_cell_volume   216.194
_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  0.002  0.287  0.358  1.0
  Ti  Ti1  1  0.995  0.304  0.861  1.0
  Ti  Ti2  1  0.506  0.783  0.349  1.0
  Fe  Fe3  1  0.999  0.714  0.139  1.0
  Fe  Fe4  1  0.501  0.206  0.647  1.0
  Fe  Fe5  1  0.501  0.791  0.854  1.0
  Fe  Fe6  1  0.999  0.717  0.645  1.0
  Fe  Fe7  1  0.499  0.209  0.142  1.0
  O  O8  1  0.150  0.334  0.583  1.0
  O  O9  1  0.190  0.023  0.267  1.0
  O  O10  1  0.376  0.850  0.584  1.0
  O  O11  1  0.627  0.839  0.101  1.0
  O  O12  1  0.166  0.638  0.891  1.0
  O  O13  1  0.692  0.496  0.758  1.0
  O  O14  1  0.305  0.517  0.268  1.0
  O  O15  1  0.872  0.330  0.091  1.0
  O  O16  1  0.319  0.147  0.886  1.0
  O  O17  1  0.679  0.151  0.409  1.0
  O  O18  1  0.800  0.023  0.766  1.0
  O  O19  1  0.822  0.642  0.399  1.0
[/CIF]
.