The crystal structure described by NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Na(1) and two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.464
_cell_length_b   5.556
_cell_length_c   7.918
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.343
_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  0.493  0.970  0.265  1.0
  Na  Na1  1  0.507  0.030  0.765  1.0
  Na  Na2  1  0.993  0.530  0.765  1.0
  Na  Na3  1  0.007  0.470  0.265  1.0
  Nb  Nb4  1  0.503  0.507  0.013  1.0
  Nb  Nb5  1  0.497  0.493  0.513  1.0
  Nb  Nb6  1  0.003  0.993  0.513  1.0
  Nb  Nb7  1  0.997  0.007  0.013  1.0
  O  O8  1  0.921  0.019  0.246  1.0
  O  O9  1  0.079  0.981  0.746  1.0
  O  O10  1  0.421  0.481  0.746  1.0
  O  O11  1  0.579  0.519  0.246  1.0
  O  O12  1  0.204  0.699  0.034  1.0
  O  O13  1  0.796  0.301  0.534  1.0
  O  O14  1  0.704  0.801  0.534  1.0
  O  O15  1  0.296  0.199  0.034  1.0
  O  O16  1  0.786  0.278  0.954  1.0
  O  O17  1  0.214  0.722  0.454  1.0
  O  O18  1  0.286  0.222  0.454  1.0
  O  O19  1  0.714  0.778  0.954  1.0
[/CIF]
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The crystal structure described by NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Na(1) and two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.464
_cell_length_b   5.556
_cell_length_c   7.918
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.343
_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  0.493  0.970  0.265  1.0
  Na  Na1  1  0.507  0.030  0.765  1.0
  Na  Na2  1  0.993  0.530  0.765  1.0
  Na  Na3  1  0.007  0.470  0.265  1.0
  Nb  Nb4  1  0.503  0.507  0.013  1.0
  Nb  Nb5  1  0.497  0.493  0.513  1.0
  Nb  Nb6  1  0.003  0.993  0.513  1.0
  Nb  Nb7  1  0.997  0.007  0.013  1.0
  O  O8  1  0.921  0.019  0.246  1.0
  O  O9  1  0.079  0.981  0.746  1.0
  O  O10  1  0.421  0.481  0.746  1.0
  O  O11  1  0.579  0.519  0.246  1.0
  O  O12  1  0.204  0.699  0.034  1.0
  O  O13  1  0.796  0.301  0.534  1.0
  O  O14  1  0.704  0.801  0.534  1.0
  O  O15  1  0.296  0.199  0.034  1.0
  O  O16  1  0.786  0.278  0.954  1.0
  O  O17  1  0.214  0.722  0.454  1.0
  O  O18  1  0.286  0.222  0.454  1.0
  O  O19  1  0.714  0.778  0.954  1.0
[/CIF]
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