The material described by VO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pnnm space group. V(1) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 50°. O(1) is bonded in a distorted trigonal planar geometry to three 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   3.038
_cell_length_b   4.479
_cell_length_c   4.530
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   61.621
_cell_formula_units_Z   2
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  0.500  0.000  0.000  1.0
  V  V1  1  0.000  0.500  0.500  1.0
  O  O2  1  0.500  0.290  0.308  1.0
  O  O3  1  0.500  0.710  0.692  1.0
  O  O4  1  0.000  0.210  0.808  1.0
  O  O5  1  0.000  0.790  0.192  1.0
[/CIF]
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The material described by VO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pnnm space group. V(1) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 50°. O(1) is bonded in a distorted trigonal planar geometry to three 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   3.038
_cell_length_b   4.479
_cell_length_c   4.530
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   61.621
_cell_formula_units_Z   2
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  0.500  0.000  0.000  1.0
  V  V1  1  0.000  0.500  0.500  1.0
  O  O2  1  0.500  0.290  0.308  1.0
  O  O3  1  0.500  0.710  0.692  1.0
  O  O4  1  0.000  0.210  0.808  1.0
  O  O5  1  0.000  0.790  0.192  1.0
[/CIF]
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