The structure described by Fe2TiO4 crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(8), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-56°. In the second Ti site, Ti(2) is bonded to one O(1), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-57°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(1), and two equivalent O(8) atoms. In the second Fe site, Fe(2) is bonded to one O(3), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-56°. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(2), and two equivalent O(7) atoms. In the fourth Fe site, Fe(4) is bonded to one O(4), one O(7), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Ti(2), two equivalent Fe(1), and two equivalent Fe(2) atoms to form OTiFe4 square pyramids that share corners with two equivalent O(6)Ti2Fe3 square pyramids, edges with two equivalent O(1)TiFe4 square pyramids, and edges with three equivalent O(6)Ti2Fe3 square pyramids. In the second O site, O(2) is bonded to one Ti(1), two equivalent Fe(3), and two equivalent Fe(4) atoms to form OTiFe4 square pyramids that share corners with two equivalent O(5)Ti2Fe3 square pyramids, edges with two equivalent O(2)TiFe4 square pyramids, and edges with three equivalent O(5)Ti2Fe3 square pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ti(2) and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Fe(4) atom. In the fifth O site, O(5) is bonded to two equivalent Ti(1), one Fe(3), and two equivalent Fe(4) atoms to form OTi2Fe3 square pyramids that share corners with two equivalent O(2)TiFe4 square pyramids, edges with two equivalent O(5)Ti2Fe3 square pyramids, and edges with three equivalent O(2)TiFe4 square pyramids. In the sixth O site, O(6) is bonded to two equivalent Ti(2), one Fe(1), and two equivalent Fe(2) atoms to form OTi2Fe3 square pyramids that share corners with two equivalent O(1)TiFe4 square pyramids, edges with two equivalent O(6)Ti2Fe3 square pyramids, and edges with three equivalent O(1)TiFe4 square pyramids. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Fe(4), and two equivalent Fe(3) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Fe(2), and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Ti(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.001
_cell_length_b   5.219
_cell_length_c   10.118
_cell_angle_alpha   90.126
_cell_angle_beta   89.621
_cell_angle_gamma   106.189
_symmetry_Int_Tables_number   1
_cell_volume   152.174
_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  0.875  0.752  0.571  1.0
  Ti  Ti1  1  0.126  0.248  0.072  1.0
  Fe  Fe2  1  0.595  0.206  0.785  1.0
  Fe  Fe3  1  0.864  0.720  0.923  1.0
  Fe  Fe4  1  0.400  0.793  0.285  1.0
  Fe  Fe5  1  0.142  0.280  0.422  1.0
  O  O6  1  0.219  0.423  0.884  1.0
  O  O7  1  0.791  0.577  0.384  1.0
  O  O8  1  0.743  0.491  0.106  1.0
  O  O9  1  0.256  0.510  0.605  1.0
  O  O10  1  0.493  0.989  0.494  1.0
  O  O11  1  0.508  0.012  0.994  1.0
  O  O12  1  0.039  0.073  0.237  1.0
  O  O13  1  0.948  0.927  0.738  1.0
[/CIF]
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The structure described by Fe2TiO4 crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(8), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-56°. In the second Ti site, Ti(2) is bonded to one O(1), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-57°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(1), and two equivalent O(8) atoms. In the second Fe site, Fe(2) is bonded to one O(3), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-56°. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(2), and two equivalent O(7) atoms. In the fourth Fe site, Fe(4) is bonded to one O(4), one O(7), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Ti(2), two equivalent Fe(1), and two equivalent Fe(2) atoms to form OTiFe4 square pyramids that share corners with two equivalent O(6)Ti2Fe3 square pyramids, edges with two equivalent O(1)TiFe4 square pyramids, and edges with three equivalent O(6)Ti2Fe3 square pyramids. In the second O site, O(2) is bonded to one Ti(1), two equivalent Fe(3), and two equivalent Fe(4) atoms to form OTiFe4 square pyramids that share corners with two equivalent O(5)Ti2Fe3 square pyramids, edges with two equivalent O(2)TiFe4 square pyramids, and edges with three equivalent O(5)Ti2Fe3 square pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ti(2) and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Fe(4) atom. In the fifth O site, O(5) is bonded to two equivalent Ti(1), one Fe(3), and two equivalent Fe(4) atoms to form OTi2Fe3 square pyramids that share corners with two equivalent O(2)TiFe4 square pyramids, edges with two equivalent O(5)Ti2Fe3 square pyramids, and edges with three equivalent O(2)TiFe4 square pyramids. In the sixth O site, O(6) is bonded to two equivalent Ti(2), one Fe(1), and two equivalent Fe(2) atoms to form OTi2Fe3 square pyramids that share corners with two equivalent O(1)TiFe4 square pyramids, edges with two equivalent O(6)Ti2Fe3 square pyramids, and edges with three equivalent O(1)TiFe4 square pyramids. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Fe(4), and two equivalent Fe(3) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Fe(2), and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Ti(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.001
_cell_length_b   5.219
_cell_length_c   10.118
_cell_angle_alpha   90.126
_cell_angle_beta   89.621
_cell_angle_gamma   106.189
_symmetry_Int_Tables_number   1
_cell_volume   152.174
_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  0.875  0.752  0.571  1.0
  Ti  Ti1  1  0.126  0.248  0.072  1.0
  Fe  Fe2  1  0.595  0.206  0.785  1.0
  Fe  Fe3  1  0.864  0.720  0.923  1.0
  Fe  Fe4  1  0.400  0.793  0.285  1.0
  Fe  Fe5  1  0.142  0.280  0.422  1.0
  O  O6  1  0.219  0.423  0.884  1.0
  O  O7  1  0.791  0.577  0.384  1.0
  O  O8  1  0.743  0.491  0.106  1.0
  O  O9  1  0.256  0.510  0.605  1.0
  O  O10  1  0.493  0.989  0.494  1.0
  O  O11  1  0.508  0.012  0.994  1.0
  O  O12  1  0.039  0.073  0.237  1.0
  O  O13  1  0.948  0.927  0.738  1.0
[/CIF]
.