The material described by VO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second V site, V(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(2) atoms. is represented by the CIF card [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.846
_cell_length_b   7.240
_cell_length_c   7.245
_cell_angle_alpha   87.697
_cell_angle_beta   78.676
_cell_angle_gamma   78.672
_symmetry_Int_Tables_number   1
_cell_volume   143.502
_cell_formula_units_Z   4
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
  V  V0  1  0.638  0.184  0.540  1.0
  V  V1  1  0.178  0.460  0.184  1.0
  V  V2  1  0.822  0.540  0.816  1.0
  V  V3  1  0.362  0.816  0.460  1.0
  O  O4  1  0.839  0.705  0.617  1.0
  O  O5  1  0.456  0.382  0.706  1.0
  O  O6  1  0.544  0.618  0.294  1.0
  O  O7  1  0.161  0.295  0.383  1.0
  O  O8  1  0.157  0.045  0.641  1.0
  O  O9  1  0.797  0.359  0.046  1.0
  O  O10  1  0.843  0.955  0.359  1.0
  O  O11  1  0.203  0.641  0.954  1.0
[/CIF]
.
The material described by VO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second V site, V(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(2) atoms. is represented by the CIF card [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.846
_cell_length_b   7.240
_cell_length_c   7.245
_cell_angle_alpha   87.697
_cell_angle_beta   78.676
_cell_angle_gamma   78.672
_symmetry_Int_Tables_number   1
_cell_volume   143.502
_cell_formula_units_Z   4
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
  V  V0  1  0.638  0.184  0.540  1.0
  V  V1  1  0.178  0.460  0.184  1.0
  V  V2  1  0.822  0.540  0.816  1.0
  V  V3  1  0.362  0.816  0.460  1.0
  O  O4  1  0.839  0.705  0.617  1.0
  O  O5  1  0.456  0.382  0.706  1.0
  O  O6  1  0.544  0.618  0.294  1.0
  O  O7  1  0.161  0.295  0.383  1.0
  O  O8  1  0.157  0.045  0.641  1.0
  O  O9  1  0.797  0.359  0.046  1.0
  O  O10  1  0.843  0.955  0.359  1.0
  O  O11  1  0.203  0.641  0.954  1.0
[/CIF]
.