The crystal structure described by Nb4O5 crystallizes in the tetragonal P4_2/nmc space group. Nb(1) is bonded to one O(2) and four equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing NbO5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing ONb4 tetrahedra. 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 Crystallographic Information File (CIF) [CIF]
data_Nb4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.842
_cell_length_b   6.716
_cell_length_c   6.716
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.364
_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  0.546  0.750  0.546  1.0
  Nb  Nb1  1  0.046  0.954  0.750  1.0
  Nb  Nb2  1  0.454  0.250  0.046  1.0
  Nb  Nb3  1  0.046  0.546  0.750  1.0
  Nb  Nb4  1  0.454  0.250  0.454  1.0
  Nb  Nb5  1  0.954  0.454  0.250  1.0
  Nb  Nb6  1  0.546  0.750  0.954  1.0
  Nb  Nb7  1  0.954  0.046  0.250  1.0
  O  O8  1  0.750  0.036  0.536  1.0
  O  O9  1  0.750  0.464  0.536  1.0
  O  O10  1  0.750  0.750  0.250  1.0
  O  O11  1  0.750  0.036  0.964  1.0
  O  O12  1  0.250  0.536  0.036  1.0
  O  O13  1  0.750  0.464  0.964  1.0
  O  O14  1  0.250  0.536  0.464  1.0
  O  O15  1  0.250  0.964  0.036  1.0
  O  O16  1  0.250  0.964  0.464  1.0
  O  O17  1  0.250  0.250  0.750  1.0
[/CIF]
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The crystal structure described by Nb4O5 crystallizes in the tetragonal P4_2/nmc space group. Nb(1) is bonded to one O(2) and four equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing NbO5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing ONb4 tetrahedra. 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 Crystallographic Information File (CIF) [CIF]
data_Nb4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.842
_cell_length_b   6.716
_cell_length_c   6.716
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.364
_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  0.546  0.750  0.546  1.0
  Nb  Nb1  1  0.046  0.954  0.750  1.0
  Nb  Nb2  1  0.454  0.250  0.046  1.0
  Nb  Nb3  1  0.046  0.546  0.750  1.0
  Nb  Nb4  1  0.454  0.250  0.454  1.0
  Nb  Nb5  1  0.954  0.454  0.250  1.0
  Nb  Nb6  1  0.546  0.750  0.954  1.0
  Nb  Nb7  1  0.954  0.046  0.250  1.0
  O  O8  1  0.750  0.036  0.536  1.0
  O  O9  1  0.750  0.464  0.536  1.0
  O  O10  1  0.750  0.750  0.250  1.0
  O  O11  1  0.750  0.036  0.964  1.0
  O  O12  1  0.250  0.536  0.036  1.0
  O  O13  1  0.750  0.464  0.964  1.0
  O  O14  1  0.250  0.536  0.464  1.0
  O  O15  1  0.250  0.964  0.036  1.0
  O  O16  1  0.250  0.964  0.464  1.0
  O  O17  1  0.250  0.250  0.750  1.0
[/CIF]
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