The crystal structure 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(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 18-25°. 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 22-25°. In the third V site, V(3) 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 18-22°. In the fourth V site, V(4) 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 18-25°. In the fifth V site, V(5) 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 18-22°. In the sixth V site, V(6) 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 22-25°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(4), one V(5), and one V(6) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(1), one V(5), and one V(6) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one V(2), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one V(4), one V(5), and one V(6) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(4), one V(5), and one V(6) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(1), one V(5), and one V(6) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(1), one V(5), and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. is represented by the CIF card [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.008
_cell_length_b   5.018
_cell_length_c   5.288
_cell_angle_alpha   106.244
_cell_angle_beta   106.308
_cell_angle_gamma   111.800
_symmetry_Int_Tables_number   1
_cell_volume   106.859
_cell_formula_units_Z   3
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
  O  O0  1  0.180  0.186  0.759  1.0
  O  O1  1  0.807  0.814  0.226  1.0
  O  O2  1  0.961  0.629  0.729  1.0
  O  O3  1  0.623  0.969  0.730  1.0
  O  O4  1  0.045  0.389  0.297  1.0
  O  O5  1  0.383  0.050  0.296  1.0
  V  V6  1  0.980  0.986  0.981  1.0
  V  V7  1  0.175  0.822  0.490  1.0
  V  V8  1  0.817  0.184  0.492  1.0
[/CIF]
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The crystal structure 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(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 18-25°. 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 22-25°. In the third V site, V(3) 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 18-22°. In the fourth V site, V(4) 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 18-25°. In the fifth V site, V(5) 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 18-22°. In the sixth V site, V(6) 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 22-25°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(4), one V(5), and one V(6) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(1), one V(5), and one V(6) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one V(2), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one V(4), one V(5), and one V(6) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(4), one V(5), and one V(6) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(1), one V(5), and one V(6) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(1), one V(5), and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. is represented by the CIF card [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.008
_cell_length_b   5.018
_cell_length_c   5.288
_cell_angle_alpha   106.244
_cell_angle_beta   106.308
_cell_angle_gamma   111.800
_symmetry_Int_Tables_number   1
_cell_volume   106.859
_cell_formula_units_Z   3
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
  O  O0  1  0.180  0.186  0.759  1.0
  O  O1  1  0.807  0.814  0.226  1.0
  O  O2  1  0.961  0.629  0.729  1.0
  O  O3  1  0.623  0.969  0.730  1.0
  O  O4  1  0.045  0.389  0.297  1.0
  O  O5  1  0.383  0.050  0.296  1.0
  V  V6  1  0.980  0.986  0.981  1.0
  V  V7  1  0.175  0.822  0.490  1.0
  V  V8  1  0.817  0.184  0.492  1.0
[/CIF]
.