The crystal structure described by VO2 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.957
_cell_length_b   8.645
_cell_length_c   3.778
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   90.016
_symmetry_Int_Tables_number   1
_cell_volume   194.542
_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  0.210  0.635  0.500  1.0
  V  V1  1  0.290  0.365  0.000  1.0
  V  V2  1  0.710  0.866  0.500  1.0
  V  V3  1  0.790  0.134  1.000  1.0
  O  O4  1  0.175  0.573  0.000  1.0
  O  O5  1  0.414  0.774  0.500  1.0
  O  O6  1  0.086  0.226  0.000  1.0
  O  O7  1  0.325  0.427  0.500  1.0
  O  O8  1  0.675  0.927  1.000  1.0
  O  O9  1  0.914  0.726  0.500  1.0
  O  O10  1  0.586  0.274  1.000  1.0
  O  O11  1  0.825  0.073  0.500  1.0
[/CIF]
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The crystal structure described by VO2 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.957
_cell_length_b   8.645
_cell_length_c   3.778
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   90.016
_symmetry_Int_Tables_number   1
_cell_volume   194.542
_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  0.210  0.635  0.500  1.0
  V  V1  1  0.290  0.365  0.000  1.0
  V  V2  1  0.710  0.866  0.500  1.0
  V  V3  1  0.790  0.134  1.000  1.0
  O  O4  1  0.175  0.573  0.000  1.0
  O  O5  1  0.414  0.774  0.500  1.0
  O  O6  1  0.086  0.226  0.000  1.0
  O  O7  1  0.325  0.427  0.500  1.0
  O  O8  1  0.675  0.927  1.000  1.0
  O  O9  1  0.914  0.726  0.500  1.0
  O  O10  1  0.586  0.274  1.000  1.0
  O  O11  1  0.825  0.073  0.500  1.0
[/CIF]
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