The compound described by NiTiO3 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 Ni(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. O(1) is bonded to two equivalent Ti(1) and two equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing OTi2Ni2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.419
_cell_length_b   5.419
_cell_length_c   5.419
_cell_angle_alpha   55.291
_cell_angle_beta   55.291
_cell_angle_gamma   55.291
_symmetry_Int_Tables_number   1
_cell_volume   100.193
_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  0.144  0.144  0.144  1.0
  Ti  Ti1  1  0.856  0.856  0.856  1.0
  Ni  Ni2  1  0.651  0.651  0.651  1.0
  Ni  Ni3  1  0.349  0.349  0.349  1.0
  O  O4  1  0.947  0.234  0.561  1.0
  O  O5  1  0.561  0.947  0.234  1.0
  O  O6  1  0.234  0.561  0.947  1.0
  O  O7  1  0.053  0.766  0.439  1.0
  O  O8  1  0.439  0.053  0.766  1.0
  O  O9  1  0.766  0.439  0.053  1.0
[/CIF]
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The compound described by NiTiO3 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 Ni(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. O(1) is bonded to two equivalent Ti(1) and two equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing OTi2Ni2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.419
_cell_length_b   5.419
_cell_length_c   5.419
_cell_angle_alpha   55.291
_cell_angle_beta   55.291
_cell_angle_gamma   55.291
_symmetry_Int_Tables_number   1
_cell_volume   100.193
_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  0.144  0.144  0.144  1.0
  Ti  Ti1  1  0.856  0.856  0.856  1.0
  Ni  Ni2  1  0.651  0.651  0.651  1.0
  Ni  Ni3  1  0.349  0.349  0.349  1.0
  O  O4  1  0.947  0.234  0.561  1.0
  O  O5  1  0.561  0.947  0.234  1.0
  O  O6  1  0.234  0.561  0.947  1.0
  O  O7  1  0.053  0.766  0.439  1.0
  O  O8  1  0.439  0.053  0.766  1.0
  O  O9  1  0.766  0.439  0.053  1.0
[/CIF]
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