The compound described by Nb2O5 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing NbO4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-48°. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra and corners with four equivalent Nb(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Nb(1) and one Nb(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Nb(2) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Nb(1) and one Nb(2) atom. is represented by the CIF file [CIF]
data_Nb2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.935
_cell_length_b   9.646
_cell_length_c   5.319
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   509.805
_cell_formula_units_Z   4
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  0.033  0.719  0.861  1.0
  Nb  Nb1  1  0.151  0.406  0.138  1.0
  Nb  Nb2  1  0.349  0.594  0.638  1.0
  Nb  Nb3  1  0.467  0.281  0.361  1.0
  Nb  Nb4  1  0.533  0.781  0.139  1.0
  Nb  Nb5  1  0.651  0.094  0.862  1.0
  Nb  Nb6  1  0.849  0.906  0.362  1.0
  Nb  Nb7  1  0.967  0.219  0.639  1.0
  O  O8  1  0.018  0.535  0.973  1.0
  O  O9  1  0.989  0.844  0.119  1.0
  O  O10  1  0.079  0.249  0.909  1.0
  O  O11  1  0.221  0.543  0.359  1.0
  O  O12  1  0.214  0.733  0.767  1.0
  O  O13  1  0.286  0.267  0.267  1.0
  O  O14  1  0.279  0.457  0.859  1.0
  O  O15  1  0.421  0.751  0.409  1.0
  O  O16  1  0.511  0.156  0.619  1.0
  O  O17  1  0.482  0.465  0.473  1.0
  O  O18  1  0.518  0.965  0.027  1.0
  O  O19  1  0.489  0.656  0.881  1.0
  O  O20  1  0.579  0.251  0.091  1.0
  O  O21  1  0.721  0.957  0.641  1.0
  O  O22  1  0.714  0.767  0.233  1.0
  O  O23  1  0.786  0.233  0.733  1.0
  O  O24  1  0.779  0.043  0.141  1.0
  O  O25  1  0.921  0.749  0.591  1.0
  O  O26  1  0.011  0.344  0.381  1.0
  O  O27  1  0.982  0.035  0.527  1.0
[/CIF]
.
The compound described by Nb2O5 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing NbO4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-48°. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra and corners with four equivalent Nb(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Nb(1) and one Nb(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Nb(2) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Nb(1) and one Nb(2) atom. is represented by the CIF file [CIF]
data_Nb2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.935
_cell_length_b   9.646
_cell_length_c   5.319
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   509.805
_cell_formula_units_Z   4
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  0.033  0.719  0.861  1.0
  Nb  Nb1  1  0.151  0.406  0.138  1.0
  Nb  Nb2  1  0.349  0.594  0.638  1.0
  Nb  Nb3  1  0.467  0.281  0.361  1.0
  Nb  Nb4  1  0.533  0.781  0.139  1.0
  Nb  Nb5  1  0.651  0.094  0.862  1.0
  Nb  Nb6  1  0.849  0.906  0.362  1.0
  Nb  Nb7  1  0.967  0.219  0.639  1.0
  O  O8  1  0.018  0.535  0.973  1.0
  O  O9  1  0.989  0.844  0.119  1.0
  O  O10  1  0.079  0.249  0.909  1.0
  O  O11  1  0.221  0.543  0.359  1.0
  O  O12  1  0.214  0.733  0.767  1.0
  O  O13  1  0.286  0.267  0.267  1.0
  O  O14  1  0.279  0.457  0.859  1.0
  O  O15  1  0.421  0.751  0.409  1.0
  O  O16  1  0.511  0.156  0.619  1.0
  O  O17  1  0.482  0.465  0.473  1.0
  O  O18  1  0.518  0.965  0.027  1.0
  O  O19  1  0.489  0.656  0.881  1.0
  O  O20  1  0.579  0.251  0.091  1.0
  O  O21  1  0.721  0.957  0.641  1.0
  O  O22  1  0.714  0.767  0.233  1.0
  O  O23  1  0.786  0.233  0.733  1.0
  O  O24  1  0.779  0.043  0.141  1.0
  O  O25  1  0.921  0.749  0.591  1.0
  O  O26  1  0.011  0.344  0.381  1.0
  O  O27  1  0.982  0.035  0.527  1.0
[/CIF]
.