The compound described by VTiO4 crystallizes in the monoclinic P2_1 space group. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) 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 range from 22-28°. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) 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 24°. There are four 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 one Ti(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one V(1) atom. In the fourth O site, O(4) 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   3.795
_cell_length_b   3.795
_cell_length_c   5.544
_cell_angle_alpha   109.894
_cell_angle_beta   109.881
_cell_angle_gamma   90.033
_symmetry_Int_Tables_number   1
_cell_volume   69.990
_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  0.044  0.082  1.0
  O  O1  1  0.955  0.460  0.918  1.0
  O  O2  1  0.205  0.206  0.413  1.0
  O  O3  1  0.794  0.795  0.587  1.0
  Ti  Ti4  1  0.749  0.251  0.500  1.0
  V  V5  1  0.007  0.994  1.000  1.0
[/CIF]
.
The compound described by VTiO4 crystallizes in the monoclinic P2_1 space group. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) 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 range from 22-28°. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) 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 24°. There are four 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 one Ti(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one V(1) atom. In the fourth O site, O(4) 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   3.795
_cell_length_b   3.795
_cell_length_c   5.544
_cell_angle_alpha   109.894
_cell_angle_beta   109.881
_cell_angle_gamma   90.033
_symmetry_Int_Tables_number   1
_cell_volume   69.990
_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  0.044  0.082  1.0
  O  O1  1  0.955  0.460  0.918  1.0
  O  O2  1  0.205  0.206  0.413  1.0
  O  O3  1  0.794  0.795  0.587  1.0
  Ti  Ti4  1  0.749  0.251  0.500  1.0
  V  V5  1  0.007  0.994  1.000  1.0
[/CIF]
.