The material structure described by NaNb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded in a distorted body-centered cubic geometry to six equivalent Nb(2) and eight equivalent Nb(1) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to four equivalent Na(1) and four equivalent Nb(2) atoms to form a mixture of distorted corner, face, and edge-sharing NbNa4Nb4 tetrahedra. In the second Nb site, Nb(2) is bonded in a 14-coordinate geometry to six equivalent Na(1) and eight equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_NaNb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.751
_cell_length_b   4.751
_cell_length_c   4.751
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   75.826
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.750  0.750  0.750  1.0
  Nb  Nb2  1  0.250  0.250  0.250  1.0
  Nb  Nb3  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material structure described by NaNb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded in a distorted body-centered cubic geometry to six equivalent Nb(2) and eight equivalent Nb(1) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to four equivalent Na(1) and four equivalent Nb(2) atoms to form a mixture of distorted corner, face, and edge-sharing NbNa4Nb4 tetrahedra. In the second Nb site, Nb(2) is bonded in a 14-coordinate geometry to six equivalent Na(1) and eight equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_NaNb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.751
_cell_length_b   4.751
_cell_length_c   4.751
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   75.826
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.750  0.750  0.750  1.0
  Nb  Nb2  1  0.250  0.250  0.250  1.0
  Nb  Nb3  1  0.500  0.500  0.500  1.0
[/CIF]
.