The compound described by VTiO3 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 V(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. O(1) is bonded to two equivalent Ti(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OTi2V2 trigonal pyramids. is represented by the CIF file [CIF]
data_TiVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   5.486
_cell_length_c   5.486
_cell_angle_alpha   55.540
_cell_angle_beta   55.538
_cell_angle_gamma   55.535
_symmetry_Int_Tables_number   1
_cell_volume   104.658
_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  0.147  0.147  0.147  1.0
  Ti  Ti1  1  0.853  0.853  0.853  1.0
  V  V2  1  0.347  0.347  0.347  1.0
  V  V3  1  0.653  0.653  0.653  1.0
  O  O4  1  0.054  0.766  0.437  1.0
  O  O5  1  0.437  0.054  0.766  1.0
  O  O6  1  0.766  0.437  0.054  1.0
  O  O7  1  0.234  0.563  0.946  1.0
  O  O8  1  0.563  0.946  0.234  1.0
  O  O9  1  0.946  0.234  0.563  1.0
[/CIF]
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The compound described by VTiO3 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 V(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. O(1) is bonded to two equivalent Ti(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OTi2V2 trigonal pyramids. is represented by the CIF file [CIF]
data_TiVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   5.486
_cell_length_c   5.486
_cell_angle_alpha   55.540
_cell_angle_beta   55.538
_cell_angle_gamma   55.535
_symmetry_Int_Tables_number   1
_cell_volume   104.658
_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  0.147  0.147  0.147  1.0
  Ti  Ti1  1  0.853  0.853  0.853  1.0
  V  V2  1  0.347  0.347  0.347  1.0
  V  V3  1  0.653  0.653  0.653  1.0
  O  O4  1  0.054  0.766  0.437  1.0
  O  O5  1  0.437  0.054  0.766  1.0
  O  O6  1  0.766  0.437  0.054  1.0
  O  O7  1  0.234  0.563  0.946  1.0
  O  O8  1  0.563  0.946  0.234  1.0
  O  O9  1  0.946  0.234  0.563  1.0
[/CIF]
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