The material described by NbO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. Nb(1) is bonded to three equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NbO7 pentagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb(1) atoms. In the second O site, O(2) is bonded to four equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing ONb4 tetrahedra. is represented by the CIF card [CIF]
data_NbO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.056
_cell_length_b   5.357
_cell_length_c   9.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.658
_cell_formula_units_Z   8
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
  Nb  Nb0  1  0.054  0.354  0.643  1.0
  Nb  Nb1  1  0.446  0.854  0.643  1.0
  Nb  Nb2  1  0.946  0.854  0.857  1.0
  Nb  Nb3  1  0.554  0.354  0.857  1.0
  Nb  Nb4  1  0.446  0.646  0.143  1.0
  Nb  Nb5  1  0.054  0.146  0.143  1.0
  Nb  Nb6  1  0.946  0.646  0.357  1.0
  Nb  Nb7  1  0.554  0.146  0.357  1.0
  O  O8  1  0.324  0.156  0.531  1.0
  O  O9  1  0.176  0.656  0.531  1.0
  O  O10  1  0.743  0.601  0.714  1.0
  O  O11  1  0.757  0.101  0.714  1.0
  O  O12  1  0.243  0.601  0.786  1.0
  O  O13  1  0.257  0.101  0.786  1.0
  O  O14  1  0.676  0.656  0.969  1.0
  O  O15  1  0.824  0.156  0.969  1.0
  O  O16  1  0.176  0.844  0.031  1.0
  O  O17  1  0.324  0.344  0.031  1.0
  O  O18  1  0.743  0.899  0.214  1.0
  O  O19  1  0.757  0.399  0.214  1.0
  O  O20  1  0.243  0.899  0.286  1.0
  O  O21  1  0.257  0.399  0.286  1.0
  O  O22  1  0.676  0.844  0.469  1.0
  O  O23  1  0.824  0.344  0.469  1.0
[/CIF]
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The material described by NbO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. Nb(1) is bonded to three equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NbO7 pentagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb(1) atoms. In the second O site, O(2) is bonded to four equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing ONb4 tetrahedra. is represented by the CIF card [CIF]
data_NbO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.056
_cell_length_b   5.357
_cell_length_c   9.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.658
_cell_formula_units_Z   8
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
  Nb  Nb0  1  0.054  0.354  0.643  1.0
  Nb  Nb1  1  0.446  0.854  0.643  1.0
  Nb  Nb2  1  0.946  0.854  0.857  1.0
  Nb  Nb3  1  0.554  0.354  0.857  1.0
  Nb  Nb4  1  0.446  0.646  0.143  1.0
  Nb  Nb5  1  0.054  0.146  0.143  1.0
  Nb  Nb6  1  0.946  0.646  0.357  1.0
  Nb  Nb7  1  0.554  0.146  0.357  1.0
  O  O8  1  0.324  0.156  0.531  1.0
  O  O9  1  0.176  0.656  0.531  1.0
  O  O10  1  0.743  0.601  0.714  1.0
  O  O11  1  0.757  0.101  0.714  1.0
  O  O12  1  0.243  0.601  0.786  1.0
  O  O13  1  0.257  0.101  0.786  1.0
  O  O14  1  0.676  0.656  0.969  1.0
  O  O15  1  0.824  0.156  0.969  1.0
  O  O16  1  0.176  0.844  0.031  1.0
  O  O17  1  0.324  0.344  0.031  1.0
  O  O18  1  0.743  0.899  0.214  1.0
  O  O19  1  0.757  0.399  0.214  1.0
  O  O20  1  0.243  0.899  0.286  1.0
  O  O21  1  0.257  0.399  0.286  1.0
  O  O22  1  0.676  0.844  0.469  1.0
  O  O23  1  0.824  0.344  0.469  1.0
[/CIF]
.