The structure described by NbO3 is alpha Rhenium trioxide structured and crystallizes in the tetragonal P4mm space group. Nb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_NbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.986
_cell_length_b   3.986
_cell_length_c   4.001
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   63.568
_cell_formula_units_Z   1
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  0.000  0.000  0.986  1.0
  O  O1  1  0.500  0.000  0.008  1.0
  O  O2  1  0.000  0.000  0.502  1.0
  O  O3  1  0.000  0.500  0.008  1.0
[/CIF]
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The structure described by NbO3 is alpha Rhenium trioxide structured and crystallizes in the tetragonal P4mm space group. Nb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_NbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.986
_cell_length_b   3.986
_cell_length_c   4.001
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   63.568
_cell_formula_units_Z   1
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  0.000  0.000  0.986  1.0
  O  O1  1  0.500  0.000  0.008  1.0
  O  O2  1  0.000  0.000  0.502  1.0
  O  O3  1  0.000  0.500  0.008  1.0
[/CIF]
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