The compound described by VO2 crystallizes in the triclinic P1 space group. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent V(7)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(12), one O(2), one O(4), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent V(7)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(11), one O(14), one O(15), one O(17), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one V(7)O4 tetrahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent V(7)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. In the fifth V site, V(5) is bonded to one O(11), one O(14), one O(17), one O(20), one O(5), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one V(7)O4 tetrahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. In the sixth V site, V(6) is bonded to one O(13), one O(14), one O(15), one O(18), one O(19), and one O(20) atom to form edge-sharing VO6 octahedra. In the seventh V site, V(7) is bonded to one O(12), one O(17), one O(6), and one O(8) atom to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the eighth V site, V(8) is bonded to one O(16), one O(18), one O(19), one O(21), one O(22), and one O(23) atom to form distorted VO6 octahedra that share corners with two equivalent V(12)O4 tetrahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(10)O6 octahedra, and edges with two equivalent V(11)O6 octahedra. In the ninth V site, V(9) is bonded to one O(10), one O(15), one O(17), one O(20), one O(5), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one V(7)O4 tetrahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the tenth V site, V(10) is bonded to one O(13), one O(16), one O(19), one O(21), one O(23), and one O(24) atom to form VO6 octahedra that share corners with two equivalent V(12)O4 tetrahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(11)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. In the eleventh V site, V(11) is bonded to one O(13), one O(16), one O(18), one O(22), one O(23), and one O(24) atom to form VO6 octahedra that share corners with two equivalent V(12)O4 tetrahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(10)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. In the twelfth V site, V(12) is bonded to one O(21), one O(22), one O(24), and one O(9) atom to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one V(2) and one V(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a water-like geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one V(5) and one V(9) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(7) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(3), one V(5), and one V(9) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(7) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one V(1), one V(12), one V(2), and one V(4) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one V(3) and one V(9) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one V(3) and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(7) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one V(10), one V(11), and one V(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one V(5), and one V(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one V(3), one V(6), and one V(9) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one V(10), one V(11), and one V(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal pyramidal geometry to one V(3), one V(5), one V(7), and one V(9) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one V(11), one V(6), and one V(8) atom. In the nineteenth O site, O(19) is bonded in a distorted T-shaped geometry to one V(10), one V(6), and one V(8) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one V(5), one V(6), and one V(9) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one V(10), one V(12), and one V(8) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one V(11), one V(12), and one V(8) atom. In the twenty-third O site, O(23) is bonded in a trigonal non-coplanar geometry to one V(10), one V(11), and one V(8) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one V(10), one V(11), and one V(12) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.011
_cell_length_b   6.020
_cell_length_c   14.189
_cell_angle_alpha   90.239
_cell_angle_beta   90.363
_cell_angle_gamma   119.712
_symmetry_Int_Tables_number   1
_cell_volume   445.886
_cell_formula_units_Z   12
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  0.311  0.635  0.834  1.0
  V  V1  1  0.863  0.675  0.835  1.0
  V  V2  1  0.978  0.973  0.507  1.0
  V  V3  1  0.823  0.185  0.835  1.0
  V  V4  1  0.530  0.010  0.503  1.0
  V  V5  1  0.312  0.161  0.346  1.0
  V  V6  1  0.332  0.167  0.716  1.0
  V  V7  1  0.653  0.317  0.181  1.0
  V  V8  1  0.499  0.525  0.503  1.0
  V  V9  1  0.175  0.332  0.166  1.0
  V  V10  1  0.173  0.847  0.163  1.0
  V  V11  1  0.665  0.831  0.044  1.0
  O  O12  1  0.700  0.337  0.902  1.0
  O  O13  1  0.996  0.495  0.757  1.0
  O  O14  1  0.165  0.363  0.902  1.0
  O  O15  1  0.138  0.798  0.903  1.0
  O  O16  1  0.355  0.670  0.564  1.0
  O  O17  1  0.506  0.499  0.758  1.0
  O  O18  1  0.670  0.837  0.427  1.0
  O  O19  1  0.485  0.989  0.761  1.0
  O  O20  1  0.667  0.832  0.910  1.0
  O  O21  1  0.835  0.686  0.567  1.0
  O  O22  1  0.817  0.150  0.567  1.0
  O  O23  1  0.003  0.006  0.762  1.0
  O  O24  1  0.055  0.028  0.249  1.0
  O  O25  1  0.196  0.882  0.420  1.0
  O  O26  1  0.177  0.303  0.420  1.0
  O  O27  1  0.355  0.180  0.097  1.0
  O  O28  1  0.334  0.170  0.583  1.0
  O  O29  1  0.485  0.027  0.251  1.0
  O  O30  1  0.482  0.450  0.253  1.0
  O  O31  1  0.609  0.313  0.421  1.0
  O  O32  1  0.820  0.138  0.089  1.0
  O  O33  1  0.819  0.677  0.088  1.0
  O  O34  1  0.995  0.503  0.218  1.0
  O  O35  1  0.354  0.677  0.088  1.0
[/CIF]
.
The compound described by VO2 crystallizes in the triclinic P1 space group. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent V(7)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(12), one O(2), one O(4), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent V(7)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(11), one O(14), one O(15), one O(17), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one V(7)O4 tetrahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent V(7)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. In the fifth V site, V(5) is bonded to one O(11), one O(14), one O(17), one O(20), one O(5), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one V(7)O4 tetrahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. In the sixth V site, V(6) is bonded to one O(13), one O(14), one O(15), one O(18), one O(19), and one O(20) atom to form edge-sharing VO6 octahedra. In the seventh V site, V(7) is bonded to one O(12), one O(17), one O(6), and one O(8) atom to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the eighth V site, V(8) is bonded to one O(16), one O(18), one O(19), one O(21), one O(22), and one O(23) atom to form distorted VO6 octahedra that share corners with two equivalent V(12)O4 tetrahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(10)O6 octahedra, and edges with two equivalent V(11)O6 octahedra. In the ninth V site, V(9) is bonded to one O(10), one O(15), one O(17), one O(20), one O(5), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one V(7)O4 tetrahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the tenth V site, V(10) is bonded to one O(13), one O(16), one O(19), one O(21), one O(23), and one O(24) atom to form VO6 octahedra that share corners with two equivalent V(12)O4 tetrahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(11)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. In the eleventh V site, V(11) is bonded to one O(13), one O(16), one O(18), one O(22), one O(23), and one O(24) atom to form VO6 octahedra that share corners with two equivalent V(12)O4 tetrahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(10)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. In the twelfth V site, V(12) is bonded to one O(21), one O(22), one O(24), and one O(9) atom to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one V(2) and one V(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a water-like geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one V(5) and one V(9) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(7) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(3), one V(5), and one V(9) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(7) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one V(1), one V(12), one V(2), and one V(4) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one V(3) and one V(9) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one V(3) and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(7) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one V(10), one V(11), and one V(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one V(5), and one V(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one V(3), one V(6), and one V(9) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one V(10), one V(11), and one V(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal pyramidal geometry to one V(3), one V(5), one V(7), and one V(9) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one V(11), one V(6), and one V(8) atom. In the nineteenth O site, O(19) is bonded in a distorted T-shaped geometry to one V(10), one V(6), and one V(8) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one V(5), one V(6), and one V(9) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one V(10), one V(12), and one V(8) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one V(11), one V(12), and one V(8) atom. In the twenty-third O site, O(23) is bonded in a trigonal non-coplanar geometry to one V(10), one V(11), and one V(8) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one V(10), one V(11), and one V(12) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.011
_cell_length_b   6.020
_cell_length_c   14.189
_cell_angle_alpha   90.239
_cell_angle_beta   90.363
_cell_angle_gamma   119.712
_symmetry_Int_Tables_number   1
_cell_volume   445.886
_cell_formula_units_Z   12
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  0.311  0.635  0.834  1.0
  V  V1  1  0.863  0.675  0.835  1.0
  V  V2  1  0.978  0.973  0.507  1.0
  V  V3  1  0.823  0.185  0.835  1.0
  V  V4  1  0.530  0.010  0.503  1.0
  V  V5  1  0.312  0.161  0.346  1.0
  V  V6  1  0.332  0.167  0.716  1.0
  V  V7  1  0.653  0.317  0.181  1.0
  V  V8  1  0.499  0.525  0.503  1.0
  V  V9  1  0.175  0.332  0.166  1.0
  V  V10  1  0.173  0.847  0.163  1.0
  V  V11  1  0.665  0.831  0.044  1.0
  O  O12  1  0.700  0.337  0.902  1.0
  O  O13  1  0.996  0.495  0.757  1.0
  O  O14  1  0.165  0.363  0.902  1.0
  O  O15  1  0.138  0.798  0.903  1.0
  O  O16  1  0.355  0.670  0.564  1.0
  O  O17  1  0.506  0.499  0.758  1.0
  O  O18  1  0.670  0.837  0.427  1.0
  O  O19  1  0.485  0.989  0.761  1.0
  O  O20  1  0.667  0.832  0.910  1.0
  O  O21  1  0.835  0.686  0.567  1.0
  O  O22  1  0.817  0.150  0.567  1.0
  O  O23  1  0.003  0.006  0.762  1.0
  O  O24  1  0.055  0.028  0.249  1.0
  O  O25  1  0.196  0.882  0.420  1.0
  O  O26  1  0.177  0.303  0.420  1.0
  O  O27  1  0.355  0.180  0.097  1.0
  O  O28  1  0.334  0.170  0.583  1.0
  O  O29  1  0.485  0.027  0.251  1.0
  O  O30  1  0.482  0.450  0.253  1.0
  O  O31  1  0.609  0.313  0.421  1.0
  O  O32  1  0.820  0.138  0.089  1.0
  O  O33  1  0.819  0.677  0.088  1.0
  O  O34  1  0.995  0.503  0.218  1.0
  O  O35  1  0.354  0.677  0.088  1.0
[/CIF]
.