The material described by NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. Nb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 21-32°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Na(2) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Na(1) and two equivalent Nb(1) atoms to form distorted corner-sharing ONa2Nb2 tetrahedra. is represented by the CIF file [CIF]
data_NaNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.530
_cell_length_b   5.605
_cell_length_c   7.791
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.497
_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  0.760  0.250  0.500  1.0
  Na  Na1  1  0.240  0.750  0.500  1.0
  Na  Na2  1  0.763  0.288  0.000  1.0
  Na  Na3  1  0.237  0.788  0.000  1.0
  Nb  Nb4  1  0.743  0.771  0.251  1.0
  Nb  Nb5  1  0.257  0.271  0.749  1.0
  Nb  Nb6  1  0.257  0.271  0.251  1.0
  Nb  Nb7  1  0.743  0.771  0.749  1.0
  O  O8  1  0.954  0.508  0.713  1.0
  O  O9  1  0.046  0.008  0.287  1.0
  O  O10  1  0.046  0.008  0.713  1.0
  O  O11  1  0.954  0.508  0.287  1.0
  O  O12  1  0.546  0.095  0.785  1.0
  O  O13  1  0.454  0.595  0.215  1.0
  O  O14  1  0.454  0.595  0.785  1.0
  O  O15  1  0.546  0.095  0.215  1.0
  O  O16  1  0.181  0.295  0.000  1.0
  O  O17  1  0.819  0.795  0.000  1.0
  O  O18  1  0.323  0.324  0.500  1.0
  O  O19  1  0.677  0.824  0.500  1.0
[/CIF]
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The material described by NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. Nb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 21-32°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Na(2) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Na(1) and two equivalent Nb(1) atoms to form distorted corner-sharing ONa2Nb2 tetrahedra. is represented by the CIF file [CIF]
data_NaNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.530
_cell_length_b   5.605
_cell_length_c   7.791
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.497
_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  0.760  0.250  0.500  1.0
  Na  Na1  1  0.240  0.750  0.500  1.0
  Na  Na2  1  0.763  0.288  0.000  1.0
  Na  Na3  1  0.237  0.788  0.000  1.0
  Nb  Nb4  1  0.743  0.771  0.251  1.0
  Nb  Nb5  1  0.257  0.271  0.749  1.0
  Nb  Nb6  1  0.257  0.271  0.251  1.0
  Nb  Nb7  1  0.743  0.771  0.749  1.0
  O  O8  1  0.954  0.508  0.713  1.0
  O  O9  1  0.046  0.008  0.287  1.0
  O  O10  1  0.046  0.008  0.713  1.0
  O  O11  1  0.954  0.508  0.287  1.0
  O  O12  1  0.546  0.095  0.785  1.0
  O  O13  1  0.454  0.595  0.215  1.0
  O  O14  1  0.454  0.595  0.785  1.0
  O  O15  1  0.546  0.095  0.215  1.0
  O  O16  1  0.181  0.295  0.000  1.0
  O  O17  1  0.819  0.795  0.000  1.0
  O  O18  1  0.323  0.324  0.500  1.0
  O  O19  1  0.677  0.824  0.500  1.0
[/CIF]
.