The material described by VO2 crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 18-20°. In the second V site, V(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 18-21°. In the third V site, V(3) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the fourth V site, V(4) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 19-21°. In the fifth V site, V(5) is bonded to one O(11), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the sixth V site, V(6) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(7) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 18-20°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one V(1), one V(3), and one V(6) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(4), and one V(5) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(1), one V(3), and one V(5) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one V(2), one V(4), and one V(6) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one V(1), one V(3), and one V(6) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(2), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(6) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one V(2), one V(4), and one V(5) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one V(1), one V(3), and one V(5) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(2), one V(4), and one V(6) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(5) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one V(2), one V(4), and one V(6) atom. is represented by the CIF card [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   9.150
_cell_length_c   5.022
_cell_angle_alpha   92.406
_cell_angle_beta   111.685
_cell_angle_gamma   91.202
_symmetry_Int_Tables_number   1
_cell_volume   213.789
_cell_formula_units_Z   6
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  0.430  0.240  0.065  1.0
  V  V1  1  0.926  0.762  0.568  1.0
  V  V2  1  0.075  0.260  0.447  1.0
  V  V3  1  0.553  0.738  0.929  1.0
  V  V4  1  0.499  0.500  0.500  1.0
  V  V5  1  0.997  0.999  0.007  1.0
  O  O6  1  0.293  0.120  0.309  1.0
  O  O7  1  0.797  0.611  0.786  1.0
  O  O8  1  0.214  0.389  0.200  1.0
  O  O9  1  0.683  0.880  0.715  1.0
  O  O10  1  0.104  0.143  0.775  1.0
  O  O11  1  0.588  0.643  0.249  1.0
  O  O12  1  0.747  0.137  0.089  1.0
  O  O13  1  0.260  0.641  0.608  1.0
  O  O14  1  0.396  0.359  0.737  1.0
  O  O15  1  0.905  0.859  0.260  1.0
  O  O16  1  0.754  0.358  0.409  1.0
  O  O17  1  0.222  0.862  0.906  1.0
[/CIF]
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The material described by VO2 crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 18-20°. In the second V site, V(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 18-21°. In the third V site, V(3) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the fourth V site, V(4) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 19-21°. In the fifth V site, V(5) is bonded to one O(11), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the sixth V site, V(6) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(7) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 18-20°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one V(1), one V(3), and one V(6) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(4), and one V(5) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(1), one V(3), and one V(5) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one V(2), one V(4), and one V(6) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one V(1), one V(3), and one V(6) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(2), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(6) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one V(2), one V(4), and one V(5) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one V(1), one V(3), and one V(5) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(2), one V(4), and one V(6) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(5) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one V(2), one V(4), and one V(6) atom. is represented by the CIF card [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   9.150
_cell_length_c   5.022
_cell_angle_alpha   92.406
_cell_angle_beta   111.685
_cell_angle_gamma   91.202
_symmetry_Int_Tables_number   1
_cell_volume   213.789
_cell_formula_units_Z   6
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  0.430  0.240  0.065  1.0
  V  V1  1  0.926  0.762  0.568  1.0
  V  V2  1  0.075  0.260  0.447  1.0
  V  V3  1  0.553  0.738  0.929  1.0
  V  V4  1  0.499  0.500  0.500  1.0
  V  V5  1  0.997  0.999  0.007  1.0
  O  O6  1  0.293  0.120  0.309  1.0
  O  O7  1  0.797  0.611  0.786  1.0
  O  O8  1  0.214  0.389  0.200  1.0
  O  O9  1  0.683  0.880  0.715  1.0
  O  O10  1  0.104  0.143  0.775  1.0
  O  O11  1  0.588  0.643  0.249  1.0
  O  O12  1  0.747  0.137  0.089  1.0
  O  O13  1  0.260  0.641  0.608  1.0
  O  O14  1  0.396  0.359  0.737  1.0
  O  O15  1  0.905  0.859  0.260  1.0
  O  O16  1  0.754  0.358  0.409  1.0
  O  O17  1  0.222  0.862  0.906  1.0
[/CIF]
.