The material structure described by NaNb2O4 crystallizes in the orthorhombic Pbcm space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted edge-sharing NbO6 pentagonal pyramids. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted edge-sharing NbO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Na(1), one Nb(2), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Na(1), one Nb(2), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded to two equivalent Na(1), one Nb(1), and two equivalent Nb(2) atoms to form a mixture of face, corner, and edge-sharing ONa2Nb3 trigonal bipyramids. is represented by the CIF file [CIF]
data_NaNb2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   5.925
_cell_length_c   12.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.382
_cell_formula_units_Z   4
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  0.812  0.250  0.004  1.0
  Na  Na1  1  0.812  0.750  0.496  1.0
  Na  Na2  1  0.188  0.250  0.504  1.0
  Na  Na3  1  0.188  0.750  0.996  1.0
  Nb  Nb4  1  0.655  0.000  0.250  1.0
  Nb  Nb5  1  0.655  0.500  0.250  1.0
  Nb  Nb6  1  0.838  0.250  0.747  1.0
  Nb  Nb7  1  0.838  0.750  0.753  1.0
  Nb  Nb8  1  0.162  0.250  0.247  1.0
  Nb  Nb9  1  0.162  0.750  0.253  1.0
  Nb  Nb10  1  0.345  0.000  0.750  1.0
  Nb  Nb11  1  0.345  0.500  0.750  1.0
  O  O12  1  0.504  0.250  0.646  1.0
  O  O13  1  0.504  0.750  0.854  1.0
  O  O14  1  0.512  0.250  0.852  1.0
  O  O15  1  0.512  0.750  0.648  1.0
  O  O16  1  0.990  0.503  0.146  1.0
  O  O17  1  0.990  0.997  0.146  1.0
  O  O18  1  0.990  0.003  0.354  1.0
  O  O19  1  0.990  0.497  0.354  1.0
  O  O20  1  0.010  0.503  0.646  1.0
  O  O21  1  0.010  0.003  0.854  1.0
  O  O22  1  0.010  0.497  0.854  1.0
  O  O23  1  0.010  0.997  0.646  1.0
  O  O24  1  0.488  0.750  0.148  1.0
  O  O25  1  0.488  0.250  0.352  1.0
  O  O26  1  0.496  0.250  0.146  1.0
  O  O27  1  0.496  0.750  0.354  1.0
[/CIF]
.
The material structure described by NaNb2O4 crystallizes in the orthorhombic Pbcm space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted edge-sharing NbO6 pentagonal pyramids. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted edge-sharing NbO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Na(1), one Nb(2), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Na(1), one Nb(2), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded to two equivalent Na(1), one Nb(1), and two equivalent Nb(2) atoms to form a mixture of face, corner, and edge-sharing ONa2Nb3 trigonal bipyramids. is represented by the CIF file [CIF]
data_NaNb2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   5.925
_cell_length_c   12.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.382
_cell_formula_units_Z   4
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  0.812  0.250  0.004  1.0
  Na  Na1  1  0.812  0.750  0.496  1.0
  Na  Na2  1  0.188  0.250  0.504  1.0
  Na  Na3  1  0.188  0.750  0.996  1.0
  Nb  Nb4  1  0.655  0.000  0.250  1.0
  Nb  Nb5  1  0.655  0.500  0.250  1.0
  Nb  Nb6  1  0.838  0.250  0.747  1.0
  Nb  Nb7  1  0.838  0.750  0.753  1.0
  Nb  Nb8  1  0.162  0.250  0.247  1.0
  Nb  Nb9  1  0.162  0.750  0.253  1.0
  Nb  Nb10  1  0.345  0.000  0.750  1.0
  Nb  Nb11  1  0.345  0.500  0.750  1.0
  O  O12  1  0.504  0.250  0.646  1.0
  O  O13  1  0.504  0.750  0.854  1.0
  O  O14  1  0.512  0.250  0.852  1.0
  O  O15  1  0.512  0.750  0.648  1.0
  O  O16  1  0.990  0.503  0.146  1.0
  O  O17  1  0.990  0.997  0.146  1.0
  O  O18  1  0.990  0.003  0.354  1.0
  O  O19  1  0.990  0.497  0.354  1.0
  O  O20  1  0.010  0.503  0.646  1.0
  O  O21  1  0.010  0.003  0.854  1.0
  O  O22  1  0.010  0.497  0.854  1.0
  O  O23  1  0.010  0.997  0.646  1.0
  O  O24  1  0.488  0.750  0.148  1.0
  O  O25  1  0.488  0.250  0.352  1.0
  O  O26  1  0.496  0.250  0.146  1.0
  O  O27  1  0.496  0.750  0.354  1.0
[/CIF]
.