The material structure described by VO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic P2_1/c space group. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to three equivalent V(1) atoms. In the second O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(1) atoms. is represented by the CIF file [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.932
_cell_length_b   4.920
_cell_length_c   9.653
_cell_angle_alpha   90.008
_cell_angle_beta   92.913
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   139.081
_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  0.228  0.539  0.364  1.0
  V  V1  1  0.228  0.961  0.864  1.0
  V  V2  1  0.772  0.461  0.636  1.0
  V  V3  1  0.772  0.039  0.136  1.0
  O  O4  1  0.738  0.700  0.464  1.0
  O  O5  1  0.262  0.200  0.036  1.0
  O  O6  1  0.738  0.800  0.964  1.0
  O  O7  1  0.262  0.300  0.536  1.0
  O  O8  1  0.769  0.159  0.773  1.0
  O  O9  1  0.768  0.341  0.273  1.0
  O  O10  1  0.232  0.841  0.227  1.0
  O  O11  1  0.231  0.659  0.727  1.0
[/CIF]
.
The material structure described by VO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic P2_1/c space group. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to three equivalent V(1) atoms. In the second O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(1) atoms. is represented by the CIF file [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.932
_cell_length_b   4.920
_cell_length_c   9.653
_cell_angle_alpha   90.008
_cell_angle_beta   92.913
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   139.081
_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  0.228  0.539  0.364  1.0
  V  V1  1  0.228  0.961  0.864  1.0
  V  V2  1  0.772  0.461  0.636  1.0
  V  V3  1  0.772  0.039  0.136  1.0
  O  O4  1  0.738  0.700  0.464  1.0
  O  O5  1  0.262  0.200  0.036  1.0
  O  O6  1  0.738  0.800  0.964  1.0
  O  O7  1  0.262  0.300  0.536  1.0
  O  O8  1  0.769  0.159  0.773  1.0
  O  O9  1  0.768  0.341  0.273  1.0
  O  O10  1  0.232  0.841  0.227  1.0
  O  O11  1  0.231  0.659  0.727  1.0
[/CIF]
.