The material described by NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 21-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.612
_cell_length_c   7.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.902
_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  0.499  0.984  0.250  1.0
  Na  Na1  1  0.001  0.484  0.250  1.0
  Na  Na2  1  0.501  0.016  0.750  1.0
  Na  Na3  1  0.999  0.516  0.750  1.0
  Nb  Nb4  1  0.500  0.500  0.000  1.0
  Nb  Nb5  1  0.000  0.000  0.500  1.0
  Nb  Nb6  1  0.500  0.500  0.500  1.0
  Nb  Nb7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.936  0.011  0.250  1.0
  O  O9  1  0.564  0.511  0.250  1.0
  O  O10  1  0.064  0.989  0.750  1.0
  O  O11  1  0.436  0.489  0.750  1.0
  O  O12  1  0.214  0.715  0.033  1.0
  O  O13  1  0.286  0.215  0.467  1.0
  O  O14  1  0.786  0.285  0.533  1.0
  O  O15  1  0.714  0.785  0.967  1.0
  O  O16  1  0.786  0.285  0.967  1.0
  O  O17  1  0.714  0.785  0.533  1.0
  O  O18  1  0.214  0.715  0.467  1.0
  O  O19  1  0.286  0.215  0.033  1.0
[/CIF]
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The material described by NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 21-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.612
_cell_length_c   7.909
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.902
_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  0.499  0.984  0.250  1.0
  Na  Na1  1  0.001  0.484  0.250  1.0
  Na  Na2  1  0.501  0.016  0.750  1.0
  Na  Na3  1  0.999  0.516  0.750  1.0
  Nb  Nb4  1  0.500  0.500  0.000  1.0
  Nb  Nb5  1  0.000  0.000  0.500  1.0
  Nb  Nb6  1  0.500  0.500  0.500  1.0
  Nb  Nb7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.936  0.011  0.250  1.0
  O  O9  1  0.564  0.511  0.250  1.0
  O  O10  1  0.064  0.989  0.750  1.0
  O  O11  1  0.436  0.489  0.750  1.0
  O  O12  1  0.214  0.715  0.033  1.0
  O  O13  1  0.286  0.215  0.467  1.0
  O  O14  1  0.786  0.285  0.533  1.0
  O  O15  1  0.714  0.785  0.967  1.0
  O  O16  1  0.786  0.285  0.967  1.0
  O  O17  1  0.714  0.785  0.533  1.0
  O  O18  1  0.214  0.715  0.467  1.0
  O  O19  1  0.286  0.215  0.033  1.0
[/CIF]
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