The material described by VO2 is beta Vanadium nitride-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the second V site, V(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar 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 three equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent V(2) atoms. In the fourth O site, O(4) 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   2.844
_cell_length_b   8.772
_cell_length_c   10.589
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.173
_cell_formula_units_Z   8
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  0.750  0.542  0.376  1.0
  V  V1  1  0.250  0.458  0.624  1.0
  V  V2  1  0.250  0.958  0.876  1.0
  V  V3  1  0.750  0.042  0.124  1.0
  V  V4  1  0.250  0.902  0.403  1.0
  V  V5  1  0.750  0.098  0.597  1.0
  V  V6  1  0.750  0.598  0.903  1.0
  V  V7  1  0.250  0.402  0.097  1.0
  O  O8  1  0.250  0.696  0.361  1.0
  O  O9  1  0.750  0.304  0.639  1.0
  O  O10  1  0.750  0.804  0.860  1.0
  O  O11  1  0.250  0.196  0.140  1.0
  O  O12  1  0.250  0.614  0.018  1.0
  O  O13  1  0.750  0.386  0.982  1.0
  O  O14  1  0.750  0.886  0.518  1.0
  O  O15  1  0.250  0.114  0.482  1.0
  O  O16  1  0.750  0.969  0.287  1.0
  O  O17  1  0.250  0.031  0.713  1.0
  O  O18  1  0.250  0.531  0.787  1.0
  O  O19  1  0.750  0.469  0.213  1.0
  O  O20  1  0.250  0.919  0.069  1.0
  O  O21  1  0.750  0.081  0.931  1.0
  O  O22  1  0.750  0.581  0.569  1.0
  O  O23  1  0.250  0.419  0.431  1.0
[/CIF]
.
The material described by VO2 is beta Vanadium nitride-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the second V site, V(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar 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 three equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent V(2) atoms. In the fourth O site, O(4) 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   2.844
_cell_length_b   8.772
_cell_length_c   10.589
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.173
_cell_formula_units_Z   8
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  0.750  0.542  0.376  1.0
  V  V1  1  0.250  0.458  0.624  1.0
  V  V2  1  0.250  0.958  0.876  1.0
  V  V3  1  0.750  0.042  0.124  1.0
  V  V4  1  0.250  0.902  0.403  1.0
  V  V5  1  0.750  0.098  0.597  1.0
  V  V6  1  0.750  0.598  0.903  1.0
  V  V7  1  0.250  0.402  0.097  1.0
  O  O8  1  0.250  0.696  0.361  1.0
  O  O9  1  0.750  0.304  0.639  1.0
  O  O10  1  0.750  0.804  0.860  1.0
  O  O11  1  0.250  0.196  0.140  1.0
  O  O12  1  0.250  0.614  0.018  1.0
  O  O13  1  0.750  0.386  0.982  1.0
  O  O14  1  0.750  0.886  0.518  1.0
  O  O15  1  0.250  0.114  0.482  1.0
  O  O16  1  0.750  0.969  0.287  1.0
  O  O17  1  0.250  0.031  0.713  1.0
  O  O18  1  0.250  0.531  0.787  1.0
  O  O19  1  0.750  0.469  0.213  1.0
  O  O20  1  0.250  0.919  0.069  1.0
  O  O21  1  0.750  0.081  0.931  1.0
  O  O22  1  0.750  0.581  0.569  1.0
  O  O23  1  0.250  0.419  0.431  1.0
[/CIF]
.