The crystal structure described by CoTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with nine equivalent Co(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. Co(1) is bonded to six equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. O(1) is bonded to two equivalent Ti(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OTi2Co2 trigonal pyramids. is represented by the CIF file [CIF]
data_TiCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.455
_cell_length_b   5.454
_cell_length_c   5.455
_cell_angle_alpha   55.223
_cell_angle_beta   55.210
_cell_angle_gamma   55.212
_symmetry_Int_Tables_number   1
_cell_volume   102.012
_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  0.855  0.855  0.855  1.0
  Ti  Ti1  1  0.145  0.145  0.145  1.0
  Co  Co2  1  0.644  0.644  0.644  1.0
  Co  Co3  1  0.356  0.356  0.356  1.0
  O  O4  1  0.560  0.949  0.230  1.0
  O  O5  1  0.230  0.561  0.949  1.0
  O  O6  1  0.949  0.230  0.561  1.0
  O  O7  1  0.440  0.051  0.770  1.0
  O  O8  1  0.770  0.439  0.051  1.0
  O  O9  1  0.051  0.770  0.439  1.0
[/CIF]
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The crystal structure described by CoTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with nine equivalent Co(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. Co(1) is bonded to six equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. O(1) is bonded to two equivalent Ti(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OTi2Co2 trigonal pyramids. is represented by the CIF file [CIF]
data_TiCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.455
_cell_length_b   5.454
_cell_length_c   5.455
_cell_angle_alpha   55.223
_cell_angle_beta   55.210
_cell_angle_gamma   55.212
_symmetry_Int_Tables_number   1
_cell_volume   102.012
_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  0.855  0.855  0.855  1.0
  Ti  Ti1  1  0.145  0.145  0.145  1.0
  Co  Co2  1  0.644  0.644  0.644  1.0
  Co  Co3  1  0.356  0.356  0.356  1.0
  O  O4  1  0.560  0.949  0.230  1.0
  O  O5  1  0.230  0.561  0.949  1.0
  O  O6  1  0.949  0.230  0.561  1.0
  O  O7  1  0.440  0.051  0.770  1.0
  O  O8  1  0.770  0.439  0.051  1.0
  O  O9  1  0.051  0.770  0.439  1.0
[/CIF]
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