The crystal structure described by VTiO4 is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1md space group. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one V(1) atom. is represented by the CIF file [CIF]
data_TiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.479
_cell_length_b   5.480
_cell_length_c   5.479
_cell_angle_alpha   107.364
_cell_angle_beta   107.363
_cell_angle_gamma   113.770
_symmetry_Int_Tables_number   1
_cell_volume   126.110
_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
  O  O0  1  0.749  0.952  0.203  1.0
  O  O1  1  0.296  0.999  0.297  1.0
  O  O2  1  0.702  0.999  0.703  1.0
  O  O3  1  0.748  0.545  0.797  1.0
  O  O4  1  0.253  0.449  0.196  1.0
  O  O5  1  0.808  0.503  0.305  1.0
  O  O6  1  0.199  0.503  0.696  1.0
  O  O7  1  0.253  0.057  0.805  1.0
  Ti  Ti8  1  0.246  0.746  0.500  1.0
  Ti  Ti9  1  0.496  0.496  1.000  1.0
  V  V10  1  0.751  0.251  0.500  1.0
  V  V11  1  0.001  0.001  0.000  1.0
[/CIF]
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The crystal structure described by VTiO4 is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1md space group. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one V(1) atom. is represented by the CIF file [CIF]
data_TiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.479
_cell_length_b   5.480
_cell_length_c   5.479
_cell_angle_alpha   107.364
_cell_angle_beta   107.363
_cell_angle_gamma   113.770
_symmetry_Int_Tables_number   1
_cell_volume   126.110
_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
  O  O0  1  0.749  0.952  0.203  1.0
  O  O1  1  0.296  0.999  0.297  1.0
  O  O2  1  0.702  0.999  0.703  1.0
  O  O3  1  0.748  0.545  0.797  1.0
  O  O4  1  0.253  0.449  0.196  1.0
  O  O5  1  0.808  0.503  0.305  1.0
  O  O6  1  0.199  0.503  0.696  1.0
  O  O7  1  0.253  0.057  0.805  1.0
  Ti  Ti8  1  0.246  0.746  0.500  1.0
  Ti  Ti9  1  0.496  0.496  1.000  1.0
  V  V10  1  0.751  0.251  0.500  1.0
  V  V11  1  0.001  0.001  0.000  1.0
[/CIF]
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