The crystal structure described by NaNb3O8 crystallizes in the orthorhombic Pmmn space group. Na(1) is bonded to one O(5) and four equivalent O(1) atoms to form distorted edge-sharing NaO5 square pyramids. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Nb(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Nb(2) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) and two equivalent Nb(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Nb(2) atoms. is represented by the CIF file [CIF]
data_NaNb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.811
_cell_length_b   8.855
_cell_length_c   10.276
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.718
_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  0.500  0.000  0.929  1.0
  Na  Na1  1  0.000  0.500  0.071  1.0
  Nb  Nb2  1  0.000  0.000  0.481  1.0
  Nb  Nb3  1  0.500  0.500  0.519  1.0
  Nb  Nb4  1  0.500  0.806  0.248  1.0
  Nb  Nb5  1  0.000  0.306  0.752  1.0
  Nb  Nb6  1  0.000  0.694  0.752  1.0
  Nb  Nb7  1  0.500  0.194  0.248  1.0
  O  O8  1  0.500  0.670  0.121  1.0
  O  O9  1  0.000  0.158  0.595  1.0
  O  O10  1  0.500  0.340  0.698  1.0
  O  O11  1  0.000  0.842  0.595  1.0
  O  O12  1  0.000  0.500  0.579  1.0
  O  O13  1  0.000  0.500  0.848  1.0
  O  O14  1  0.500  0.658  0.405  1.0
  O  O15  1  0.500  0.330  0.121  1.0
  O  O16  1  0.500  0.342  0.405  1.0
  O  O17  1  0.500  0.000  0.152  1.0
  O  O18  1  0.500  0.000  0.421  1.0
  O  O19  1  0.000  0.170  0.879  1.0
  O  O20  1  0.500  0.660  0.698  1.0
  O  O21  1  0.000  0.840  0.302  1.0
  O  O22  1  0.000  0.830  0.879  1.0
  O  O23  1  0.000  0.160  0.302  1.0
[/CIF]
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The crystal structure described by NaNb3O8 crystallizes in the orthorhombic Pmmn space group. Na(1) is bonded to one O(5) and four equivalent O(1) atoms to form distorted edge-sharing NaO5 square pyramids. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Nb(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Nb(2) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) and two equivalent Nb(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Nb(2) atoms. is represented by the CIF file [CIF]
data_NaNb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.811
_cell_length_b   8.855
_cell_length_c   10.276
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.718
_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  0.500  0.000  0.929  1.0
  Na  Na1  1  0.000  0.500  0.071  1.0
  Nb  Nb2  1  0.000  0.000  0.481  1.0
  Nb  Nb3  1  0.500  0.500  0.519  1.0
  Nb  Nb4  1  0.500  0.806  0.248  1.0
  Nb  Nb5  1  0.000  0.306  0.752  1.0
  Nb  Nb6  1  0.000  0.694  0.752  1.0
  Nb  Nb7  1  0.500  0.194  0.248  1.0
  O  O8  1  0.500  0.670  0.121  1.0
  O  O9  1  0.000  0.158  0.595  1.0
  O  O10  1  0.500  0.340  0.698  1.0
  O  O11  1  0.000  0.842  0.595  1.0
  O  O12  1  0.000  0.500  0.579  1.0
  O  O13  1  0.000  0.500  0.848  1.0
  O  O14  1  0.500  0.658  0.405  1.0
  O  O15  1  0.500  0.330  0.121  1.0
  O  O16  1  0.500  0.342  0.405  1.0
  O  O17  1  0.500  0.000  0.152  1.0
  O  O18  1  0.500  0.000  0.421  1.0
  O  O19  1  0.000  0.170  0.879  1.0
  O  O20  1  0.500  0.660  0.698  1.0
  O  O21  1  0.000  0.840  0.302  1.0
  O  O22  1  0.000  0.830  0.879  1.0
  O  O23  1  0.000  0.160  0.302  1.0
[/CIF]
.