The compound described by Fe2TiO4 crystallizes in the orthorhombic Pmma space group. Ti(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(5) atoms. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(6) atoms. In the third Fe site, Fe(3) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Fe(3) atoms. In the third O site, O(3) is bonded to two equivalent Ti(1) and two equivalent Fe(1) atoms to form distorted OTi2Fe2 tetrahedra that share corners with four equivalent O(6)Ti2Fe3 square pyramids, corners with two equivalent O(3)Ti2Fe2 tetrahedra, corners with six equivalent O(5)TiFe4 trigonal bipyramids, and edges with two equivalent O(5)TiFe4 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Fe(2) and two equivalent Fe(3) atoms to form OFe4 tetrahedra that share corners with six equivalent O(6)Ti2Fe3 square pyramids, corners with two equivalent O(4)Fe4 tetrahedra, corners with four equivalent O(5)TiFe4 trigonal bipyramids, and edges with two equivalent O(6)Ti2Fe3 square pyramids. In the fifth O site, O(5) is bonded to one Ti(1), two equivalent Fe(1), and two equivalent Fe(3) atoms to form distorted OTiFe4 trigonal bipyramids that share corners with two equivalent O(4)Fe4 tetrahedra, corners with three equivalent O(3)Ti2Fe2 tetrahedra, corners with two equivalent O(5)TiFe4 trigonal bipyramids, edges with two equivalent O(6)Ti2Fe3 square pyramids,  an edgeedge with one O(3)Ti2Fe2 tetrahedra, and edges with three equivalent O(5)TiFe4 trigonal bipyramids. In the sixth O site, O(6) is bonded to two equivalent Ti(1), one Fe(3), and two equivalent Fe(2) atoms to form distorted OTi2Fe3 square pyramids that share corners with two equivalent O(6)Ti2Fe3 square pyramids, corners with two equivalent O(3)Ti2Fe2 tetrahedra, corners with three equivalent O(4)Fe4 tetrahedra, edges with three equivalent O(6)Ti2Fe3 square pyramids,  an edgeedge with one O(4)Fe4 tetrahedra, and edges with two equivalent O(5)TiFe4 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.949
_cell_length_b   9.933
_cell_length_c   9.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.050
_cell_formula_units_Z   4
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  0.500  0.630  0.431  1.0
  Ti  Ti1  1  0.500  0.370  0.569  1.0
  Ti  Ti2  1  0.500  0.630  0.069  1.0
  Ti  Ti3  1  0.500  0.370  0.931  1.0
  Fe  Fe4  1  0.000  0.376  0.250  1.0
  Fe  Fe5  1  0.000  0.624  0.750  1.0
  Fe  Fe6  1  0.500  0.890  0.250  1.0
  Fe  Fe7  1  0.500  0.110  0.750  1.0
  Fe  Fe8  1  0.000  0.127  0.425  1.0
  Fe  Fe9  1  0.000  0.873  0.575  1.0
  Fe  Fe10  1  0.000  0.127  0.075  1.0
  Fe  Fe11  1  0.000  0.873  0.925  1.0
  O  O12  1  0.000  0.500  0.500  1.0
  O  O13  1  0.000  0.500  0.000  1.0
  O  O14  1  0.500  0.000  0.500  1.0
  O  O15  1  0.500  0.000  0.000  1.0
  O  O16  1  0.500  0.544  0.250  1.0
  O  O17  1  0.500  0.456  0.750  1.0
  O  O18  1  0.000  0.035  0.250  1.0
  O  O19  1  0.000  0.965  0.750  1.0
  O  O20  1  0.500  0.290  0.110  1.0
  O  O21  1  0.500  0.710  0.890  1.0
  O  O22  1  0.500  0.290  0.390  1.0
  O  O23  1  0.500  0.710  0.610  1.0
  O  O24  1  0.000  0.759  0.114  1.0
  O  O25  1  0.000  0.241  0.886  1.0
  O  O26  1  0.000  0.759  0.386  1.0
  O  O27  1  0.000  0.241  0.614  1.0
[/CIF]
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The compound described by Fe2TiO4 crystallizes in the orthorhombic Pmma space group. Ti(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(5) atoms. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(6) atoms. In the third Fe site, Fe(3) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Fe(3) atoms. In the third O site, O(3) is bonded to two equivalent Ti(1) and two equivalent Fe(1) atoms to form distorted OTi2Fe2 tetrahedra that share corners with four equivalent O(6)Ti2Fe3 square pyramids, corners with two equivalent O(3)Ti2Fe2 tetrahedra, corners with six equivalent O(5)TiFe4 trigonal bipyramids, and edges with two equivalent O(5)TiFe4 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Fe(2) and two equivalent Fe(3) atoms to form OFe4 tetrahedra that share corners with six equivalent O(6)Ti2Fe3 square pyramids, corners with two equivalent O(4)Fe4 tetrahedra, corners with four equivalent O(5)TiFe4 trigonal bipyramids, and edges with two equivalent O(6)Ti2Fe3 square pyramids. In the fifth O site, O(5) is bonded to one Ti(1), two equivalent Fe(1), and two equivalent Fe(3) atoms to form distorted OTiFe4 trigonal bipyramids that share corners with two equivalent O(4)Fe4 tetrahedra, corners with three equivalent O(3)Ti2Fe2 tetrahedra, corners with two equivalent O(5)TiFe4 trigonal bipyramids, edges with two equivalent O(6)Ti2Fe3 square pyramids,  an edgeedge with one O(3)Ti2Fe2 tetrahedra, and edges with three equivalent O(5)TiFe4 trigonal bipyramids. In the sixth O site, O(6) is bonded to two equivalent Ti(1), one Fe(3), and two equivalent Fe(2) atoms to form distorted OTi2Fe3 square pyramids that share corners with two equivalent O(6)Ti2Fe3 square pyramids, corners with two equivalent O(3)Ti2Fe2 tetrahedra, corners with three equivalent O(4)Fe4 tetrahedra, edges with three equivalent O(6)Ti2Fe3 square pyramids,  an edgeedge with one O(4)Fe4 tetrahedra, and edges with two equivalent O(5)TiFe4 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.949
_cell_length_b   9.933
_cell_length_c   9.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.050
_cell_formula_units_Z   4
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  0.500  0.630  0.431  1.0
  Ti  Ti1  1  0.500  0.370  0.569  1.0
  Ti  Ti2  1  0.500  0.630  0.069  1.0
  Ti  Ti3  1  0.500  0.370  0.931  1.0
  Fe  Fe4  1  0.000  0.376  0.250  1.0
  Fe  Fe5  1  0.000  0.624  0.750  1.0
  Fe  Fe6  1  0.500  0.890  0.250  1.0
  Fe  Fe7  1  0.500  0.110  0.750  1.0
  Fe  Fe8  1  0.000  0.127  0.425  1.0
  Fe  Fe9  1  0.000  0.873  0.575  1.0
  Fe  Fe10  1  0.000  0.127  0.075  1.0
  Fe  Fe11  1  0.000  0.873  0.925  1.0
  O  O12  1  0.000  0.500  0.500  1.0
  O  O13  1  0.000  0.500  0.000  1.0
  O  O14  1  0.500  0.000  0.500  1.0
  O  O15  1  0.500  0.000  0.000  1.0
  O  O16  1  0.500  0.544  0.250  1.0
  O  O17  1  0.500  0.456  0.750  1.0
  O  O18  1  0.000  0.035  0.250  1.0
  O  O19  1  0.000  0.965  0.750  1.0
  O  O20  1  0.500  0.290  0.110  1.0
  O  O21  1  0.500  0.710  0.890  1.0
  O  O22  1  0.500  0.290  0.390  1.0
  O  O23  1  0.500  0.710  0.610  1.0
  O  O24  1  0.000  0.759  0.114  1.0
  O  O25  1  0.000  0.241  0.886  1.0
  O  O26  1  0.000  0.759  0.386  1.0
  O  O27  1  0.000  0.241  0.614  1.0
[/CIF]
.