The crystal structure described by VTiO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I-4m2 space group. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.787
_cell_length_b   3.788
_cell_length_c   5.532
_cell_angle_alpha   109.872
_cell_angle_beta   109.872
_cell_angle_gamma   90.407
_symmetry_Int_Tables_number   1
_cell_volume   69.513
_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
  O  O0  1  0.540  0.040  0.080  1.0
  O  O1  1  0.960  0.460  0.920  1.0
  O  O2  1  0.205  0.205  0.411  1.0
  O  O3  1  0.795  0.795  0.589  1.0
  Ti  Ti4  1  0.750  0.250  0.500  1.0
  V  V5  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by VTiO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I-4m2 space group. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.787
_cell_length_b   3.788
_cell_length_c   5.532
_cell_angle_alpha   109.872
_cell_angle_beta   109.872
_cell_angle_gamma   90.407
_symmetry_Int_Tables_number   1
_cell_volume   69.513
_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
  O  O0  1  0.540  0.040  0.080  1.0
  O  O1  1  0.960  0.460  0.920  1.0
  O  O2  1  0.205  0.205  0.411  1.0
  O  O3  1  0.795  0.795  0.589  1.0
  Ti  Ti4  1  0.750  0.250  0.500  1.0
  V  V5  1  0.000  0.000  0.000  1.0
[/CIF]
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