The material structure described by NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four 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 18-26°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(2) 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   5.581
_cell_length_b   5.581
_cell_length_c   7.944
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.601
_symmetry_Int_Tables_number   1
_cell_volume   247.435
_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  0.489  0.511  0.750  1.0
  Na  Na1  1  0.511  0.489  0.250  1.0
  Na  Na2  1  0.997  0.003  0.750  1.0
  Na  Na3  1  0.003  0.997  0.250  1.0
  Nb  Nb4  1  0.000  0.500  0.000  1.0
  Nb  Nb5  1  0.000  0.500  0.500  1.0
  Nb  Nb6  1  0.500  0.000  0.000  1.0
  Nb  Nb7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.953  0.466  0.250  1.0
  O  O9  1  0.047  0.534  0.750  1.0
  O  O10  1  0.466  0.953  0.750  1.0
  O  O11  1  0.534  0.047  0.250  1.0
  O  O12  1  0.291  0.709  0.039  1.0
  O  O13  1  0.709  0.291  0.539  1.0
  O  O14  1  0.709  0.291  0.961  1.0
  O  O15  1  0.291  0.709  0.461  1.0
  O  O16  1  0.207  0.207  0.500  1.0
  O  O17  1  0.793  0.793  0.000  1.0
  O  O18  1  0.793  0.793  0.500  1.0
  O  O19  1  0.207  0.207  0.000  1.0
[/CIF]
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The material structure described by NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four 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 18-26°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(2) 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   5.581
_cell_length_b   5.581
_cell_length_c   7.944
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.601
_symmetry_Int_Tables_number   1
_cell_volume   247.435
_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  0.489  0.511  0.750  1.0
  Na  Na1  1  0.511  0.489  0.250  1.0
  Na  Na2  1  0.997  0.003  0.750  1.0
  Na  Na3  1  0.003  0.997  0.250  1.0
  Nb  Nb4  1  0.000  0.500  0.000  1.0
  Nb  Nb5  1  0.000  0.500  0.500  1.0
  Nb  Nb6  1  0.500  0.000  0.000  1.0
  Nb  Nb7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.953  0.466  0.250  1.0
  O  O9  1  0.047  0.534  0.750  1.0
  O  O10  1  0.466  0.953  0.750  1.0
  O  O11  1  0.534  0.047  0.250  1.0
  O  O12  1  0.291  0.709  0.039  1.0
  O  O13  1  0.709  0.291  0.539  1.0
  O  O14  1  0.709  0.291  0.961  1.0
  O  O15  1  0.291  0.709  0.461  1.0
  O  O16  1  0.207  0.207  0.500  1.0
  O  O17  1  0.793  0.793  0.000  1.0
  O  O18  1  0.793  0.793  0.500  1.0
  O  O19  1  0.207  0.207  0.000  1.0
[/CIF]
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