The material described by NaNb3O8 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. In the second Nb site, Nb(2) is bonded to four equivalent O(1) and four equivalent O(3) atoms to form distorted edge-sharing NbO8 hexagonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Nb(2), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent Na(1) and two equivalent Nb(1) atoms to form a mixture of distorted edge and corner-sharing ONa2Nb2 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Nb(1) and two equivalent Nb(2) atoms. is represented by the CIF card [CIF]
data_NaNb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.351
_cell_length_b   7.351
_cell_length_c   7.351
_cell_angle_alpha   121.522
_cell_angle_beta   118.816
_cell_angle_gamma   89.724
_symmetry_Int_Tables_number   1
_cell_volume   279.984
_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
  Na  Na0  1  0.000  0.750  0.750  1.0
  Na  Na1  1  0.000  0.250  0.250  1.0
  Nb  Nb2  1  0.009  0.763  0.245  1.0
  Nb  Nb3  1  0.991  0.237  0.755  1.0
  Nb  Nb4  1  0.482  0.737  0.745  1.0
  Nb  Nb5  1  0.518  0.263  0.255  1.0
  Nb  Nb6  1  0.500  0.750  0.250  1.0
  Nb  Nb7  1  0.500  0.250  0.750  1.0
  O  O8  1  0.837  0.439  0.998  1.0
  O  O9  1  0.163  0.161  0.602  1.0
  O  O10  1  0.560  0.061  0.898  1.0
  O  O11  1  0.440  0.339  0.502  1.0
  O  O12  1  0.163  0.561  0.002  1.0
  O  O13  1  0.837  0.839  0.398  1.0
  O  O14  1  0.440  0.939  0.102  1.0
  O  O15  1  0.560  0.661  0.498  1.0
  O  O16  1  0.147  0.165  0.982  1.0
  O  O17  1  0.853  0.835  0.018  1.0
  O  O18  1  0.817  0.335  0.482  1.0
  O  O19  1  0.183  0.665  0.518  1.0
  O  O20  1  0.526  0.422  0.104  1.0
  O  O21  1  0.474  0.578  0.896  1.0
  O  O22  1  0.683  0.078  0.604  1.0
  O  O23  1  0.317  0.922  0.396  1.0
[/CIF]
.
The material described by NaNb3O8 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. In the second Nb site, Nb(2) is bonded to four equivalent O(1) and four equivalent O(3) atoms to form distorted edge-sharing NbO8 hexagonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Nb(2), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent Na(1) and two equivalent Nb(1) atoms to form a mixture of distorted edge and corner-sharing ONa2Nb2 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Nb(1) and two equivalent Nb(2) atoms. is represented by the CIF card [CIF]
data_NaNb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.351
_cell_length_b   7.351
_cell_length_c   7.351
_cell_angle_alpha   121.522
_cell_angle_beta   118.816
_cell_angle_gamma   89.724
_symmetry_Int_Tables_number   1
_cell_volume   279.984
_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
  Na  Na0  1  0.000  0.750  0.750  1.0
  Na  Na1  1  0.000  0.250  0.250  1.0
  Nb  Nb2  1  0.009  0.763  0.245  1.0
  Nb  Nb3  1  0.991  0.237  0.755  1.0
  Nb  Nb4  1  0.482  0.737  0.745  1.0
  Nb  Nb5  1  0.518  0.263  0.255  1.0
  Nb  Nb6  1  0.500  0.750  0.250  1.0
  Nb  Nb7  1  0.500  0.250  0.750  1.0
  O  O8  1  0.837  0.439  0.998  1.0
  O  O9  1  0.163  0.161  0.602  1.0
  O  O10  1  0.560  0.061  0.898  1.0
  O  O11  1  0.440  0.339  0.502  1.0
  O  O12  1  0.163  0.561  0.002  1.0
  O  O13  1  0.837  0.839  0.398  1.0
  O  O14  1  0.440  0.939  0.102  1.0
  O  O15  1  0.560  0.661  0.498  1.0
  O  O16  1  0.147  0.165  0.982  1.0
  O  O17  1  0.853  0.835  0.018  1.0
  O  O18  1  0.817  0.335  0.482  1.0
  O  O19  1  0.183  0.665  0.518  1.0
  O  O20  1  0.526  0.422  0.104  1.0
  O  O21  1  0.474  0.578  0.896  1.0
  O  O22  1  0.683  0.078  0.604  1.0
  O  O23  1  0.317  0.922  0.396  1.0
[/CIF]
.