The material described by VO2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent V(2)O4 tetrahedra and edges with two equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   5.010
_cell_length_c   6.071
_cell_angle_alpha   90.009
_cell_angle_beta   89.983
_cell_angle_gamma   68.180
_symmetry_Int_Tables_number   1
_cell_volume   141.468
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.000  0.000  0.500  1.0
  V  V2  1  0.357  0.357  0.250  1.0
  V  V3  1  0.643  0.643  0.750  1.0
  O  O4  1  0.235  0.235  0.030  1.0
  O  O5  1  0.235  0.235  0.469  1.0
  O  O6  1  0.214  0.744  0.250  1.0
  O  O7  1  0.255  0.786  0.750  1.0
  O  O8  1  0.745  0.214  0.250  1.0
  O  O9  1  0.786  0.256  0.750  1.0
  O  O10  1  0.765  0.765  0.970  1.0
  O  O11  1  0.765  0.765  0.531  1.0
[/CIF]
.
The material described by VO2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent V(2)O4 tetrahedra and edges with two equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   5.010
_cell_length_c   6.071
_cell_angle_alpha   90.009
_cell_angle_beta   89.983
_cell_angle_gamma   68.180
_symmetry_Int_Tables_number   1
_cell_volume   141.468
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.000  0.000  0.500  1.0
  V  V2  1  0.357  0.357  0.250  1.0
  V  V3  1  0.643  0.643  0.750  1.0
  O  O4  1  0.235  0.235  0.030  1.0
  O  O5  1  0.235  0.235  0.469  1.0
  O  O6  1  0.214  0.744  0.250  1.0
  O  O7  1  0.255  0.786  0.750  1.0
  O  O8  1  0.745  0.214  0.250  1.0
  O  O9  1  0.786  0.256  0.750  1.0
  O  O10  1  0.765  0.765  0.970  1.0
  O  O11  1  0.765  0.765  0.531  1.0
[/CIF]
.