The material structure described by VO2 is trigonal omega-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing VO6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing VO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.925
_cell_length_b   5.925
_cell_length_c   5.898
_cell_angle_alpha   60.814
_cell_angle_beta   60.814
_cell_angle_gamma   91.627
_symmetry_Int_Tables_number   1
_cell_volume   147.895
_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  0.500  0.500  0.500  1.0
  V  V1  1  0.500  0.000  0.500  1.0
  V  V2  1  0.000  0.500  0.000  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.262  0.300  0.975  1.0
  O  O5  1  0.278  0.743  0.959  1.0
  O  O6  1  0.257  0.722  0.541  1.0
  O  O7  1  0.700  0.738  0.525  1.0
  O  O8  1  0.722  0.257  0.041  1.0
  O  O9  1  0.738  0.700  0.025  1.0
  O  O10  1  0.300  0.262  0.475  1.0
  O  O11  1  0.743  0.278  0.459  1.0
[/CIF]
.
The material structure described by VO2 is trigonal omega-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing VO6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing VO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.925
_cell_length_b   5.925
_cell_length_c   5.898
_cell_angle_alpha   60.814
_cell_angle_beta   60.814
_cell_angle_gamma   91.627
_symmetry_Int_Tables_number   1
_cell_volume   147.895
_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  0.500  0.500  0.500  1.0
  V  V1  1  0.500  0.000  0.500  1.0
  V  V2  1  0.000  0.500  0.000  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.262  0.300  0.975  1.0
  O  O5  1  0.278  0.743  0.959  1.0
  O  O6  1  0.257  0.722  0.541  1.0
  O  O7  1  0.700  0.738  0.525  1.0
  O  O8  1  0.722  0.257  0.041  1.0
  O  O9  1  0.738  0.700  0.025  1.0
  O  O10  1  0.300  0.262  0.475  1.0
  O  O11  1  0.743  0.278  0.459  1.0
[/CIF]
.