The compound described by Nb2O5 crystallizes in the monoclinic C2/c space group. Nb(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 27-57°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_Nb2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.925
_cell_length_b   5.634
_cell_length_c   6.900
_cell_angle_alpha   103.480
_cell_angle_beta   110.910
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.206
_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
  Nb  Nb0  1  0.383  0.252  0.281  1.0
  Nb  Nb1  1  0.102  0.248  0.719  1.0
  Nb  Nb2  1  0.617  0.748  0.719  1.0
  Nb  Nb3  1  0.898  0.752  0.281  1.0
  O  O4  1  0.724  0.373  0.589  1.0
  O  O5  1  0.135  0.127  0.411  1.0
  O  O6  1  0.276  0.627  0.411  1.0
  O  O7  1  0.865  0.873  0.589  1.0
  O  O8  1  0.898  0.750  0.000  1.0
  O  O9  1  0.102  0.250  0.000  1.0
  O  O10  1  0.337  0.527  0.781  1.0
  O  O11  1  0.556  0.973  0.219  1.0
  O  O12  1  0.663  0.473  0.219  1.0
  O  O13  1  0.444  0.027  0.781  1.0
[/CIF]
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The compound described by Nb2O5 crystallizes in the monoclinic C2/c space group. Nb(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 27-57°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_Nb2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.925
_cell_length_b   5.634
_cell_length_c   6.900
_cell_angle_alpha   103.480
_cell_angle_beta   110.910
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.206
_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
  Nb  Nb0  1  0.383  0.252  0.281  1.0
  Nb  Nb1  1  0.102  0.248  0.719  1.0
  Nb  Nb2  1  0.617  0.748  0.719  1.0
  Nb  Nb3  1  0.898  0.752  0.281  1.0
  O  O4  1  0.724  0.373  0.589  1.0
  O  O5  1  0.135  0.127  0.411  1.0
  O  O6  1  0.276  0.627  0.411  1.0
  O  O7  1  0.865  0.873  0.589  1.0
  O  O8  1  0.898  0.750  0.000  1.0
  O  O9  1  0.102  0.250  0.000  1.0
  O  O10  1  0.337  0.527  0.781  1.0
  O  O11  1  0.556  0.973  0.219  1.0
  O  O12  1  0.663  0.473  0.219  1.0
  O  O13  1  0.444  0.027  0.781  1.0
[/CIF]
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