The structure described by Ti(FeO2)3 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with six equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with six equivalent Fe(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the third Fe site, Fe(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with six equivalent Fe(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-64°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(1), one Fe(2), and one Fe(3) atom. is represented by the CIF card [CIF]
data_Ti(FeO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   5.514
_cell_length_c   5.514
_cell_angle_alpha   55.907
_cell_angle_beta   55.907
_cell_angle_gamma   55.907
_symmetry_Int_Tables_number   1
_cell_volume   107.278
_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  0.146  0.146  0.146  1.0
  Fe  Fe1  1  0.643  0.643  0.643  1.0
  Fe  Fe2  1  0.352  0.352  0.352  1.0
  Fe  Fe3  1  0.852  0.852  0.852  1.0
  O  O4  1  0.761  0.069  0.430  1.0
  O  O5  1  0.430  0.761  0.069  1.0
  O  O6  1  0.069  0.430  0.761  1.0
  O  O7  1  0.231  0.964  0.551  1.0
  O  O8  1  0.551  0.231  0.964  1.0
  O  O9  1  0.964  0.551  0.231  1.0
[/CIF]
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The structure described by Ti(FeO2)3 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with six equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with six equivalent Fe(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the third Fe site, Fe(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with six equivalent Fe(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-64°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Fe(1), one Fe(2), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OTiFe3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(1), one Fe(1), one Fe(2), and one Fe(3) atom. is represented by the CIF card [CIF]
data_Ti(FeO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   5.514
_cell_length_c   5.514
_cell_angle_alpha   55.907
_cell_angle_beta   55.907
_cell_angle_gamma   55.907
_symmetry_Int_Tables_number   1
_cell_volume   107.278
_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  0.146  0.146  0.146  1.0
  Fe  Fe1  1  0.643  0.643  0.643  1.0
  Fe  Fe2  1  0.352  0.352  0.352  1.0
  Fe  Fe3  1  0.852  0.852  0.852  1.0
  O  O4  1  0.761  0.069  0.430  1.0
  O  O5  1  0.430  0.761  0.069  1.0
  O  O6  1  0.069  0.430  0.761  1.0
  O  O7  1  0.231  0.964  0.551  1.0
  O  O8  1  0.551  0.231  0.964  1.0
  O  O9  1  0.964  0.551  0.231  1.0
[/CIF]
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