The crystal structure described by NaNbO3 is (Cubic) Perovskite-like structured and crystallizes in the orthorhombic P222_1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form NaO12 cuboctahedra that share corners with four equivalent Na(1)O12 cuboctahedra, corners with eight equivalent Na(3)O12 cuboctahedra, faces with two equivalent Na(4)O12 cuboctahedra, faces with four equivalent Na(2)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form NaO12 cuboctahedra that share corners with four equivalent Na(2)O12 cuboctahedra, corners with eight equivalent Na(4)O12 cuboctahedra, faces with two equivalent Na(3)O12 cuboctahedra, faces with four equivalent Na(1)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form NaO12 cuboctahedra that share corners with four equivalent Na(3)O12 cuboctahedra, corners with eight equivalent Na(1)O12 cuboctahedra, faces with two equivalent Na(2)O12 cuboctahedra, faces with four equivalent Na(4)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. In the fourth Na site, Na(4) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form NaO12 cuboctahedra that share corners with four equivalent Na(4)O12 cuboctahedra, corners with eight equivalent Na(2)O12 cuboctahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with four equivalent Na(3)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent Na(2)O12 cuboctahedra, faces with two equivalent Na(3)O12 cuboctahedra, and faces with two equivalent Na(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent Na(2)O12 cuboctahedra, faces with two equivalent Na(3)O12 cuboctahedra, and faces with two equivalent Na(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-12°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms. In the second O site, O(6) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Na(2), and two equivalent Nb(2) atoms. In the third O site, O(7) is bonded in a distorted linear geometry to two equivalent Na(3), two equivalent Na(4), and two equivalent Nb(1) atoms. In the fourth O site, O(8) is bonded in a 2-coordinate geometry to two equivalent Na(3), two equivalent Na(4), and two equivalent Nb(2) atoms. In the fifth O site, O(1) is bonded in a distorted linear geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Nb(1), and one Nb(2) atom. In the sixth O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Nb(1), and one Nb(2) atom. In the seventh O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Nb(1), and one Nb(2) atom. In the eighth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Nb(1), and one Nb(2) atom to form distorted corner-sharing ONa4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. is represented by the CIF card [CIF]
data_NaNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.029
_cell_length_b   4.029
_cell_length_c   15.991
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.114
_symmetry_Int_Tables_number   1
_cell_volume   259.558
_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  0.497  0.497  0.500  1.0
  Na  Na1  1  0.503  0.503  0.000  1.0
  Na  Na2  1  0.488  0.512  0.750  1.0
  Na  Na3  1  0.512  0.488  0.250  1.0
  Nb  Nb4  1  0.976  0.020  0.625  1.0
  Nb  Nb5  1  0.980  0.024  0.875  1.0
  Nb  Nb6  1  0.024  0.980  0.125  1.0
  Nb  Nb7  1  0.020  0.976  0.375  1.0
  O  O8  1  0.502  0.994  0.625  1.0
  O  O9  1  0.006  0.498  0.875  1.0
  O  O10  1  0.498  0.006  0.125  1.0
  O  O11  1  0.994  0.502  0.375  1.0
  O  O12  1  0.006  0.497  0.625  1.0
  O  O13  1  0.503  0.994  0.875  1.0
  O  O14  1  0.994  0.503  0.125  1.0
  O  O15  1  0.497  0.006  0.375  1.0
  O  O16  1  1.000  1.000  0.500  1.0
  O  O17  1  0.000  0.000  1.000  1.0
  O  O18  1  0.006  0.994  0.750  1.0
  O  O19  1  0.994  0.006  0.250  1.0
[/CIF]
.
The crystal structure described by NaNbO3 is (Cubic) Perovskite-like structured and crystallizes in the orthorhombic P222_1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form NaO12 cuboctahedra that share corners with four equivalent Na(1)O12 cuboctahedra, corners with eight equivalent Na(3)O12 cuboctahedra, faces with two equivalent Na(4)O12 cuboctahedra, faces with four equivalent Na(2)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form NaO12 cuboctahedra that share corners with four equivalent Na(2)O12 cuboctahedra, corners with eight equivalent Na(4)O12 cuboctahedra, faces with two equivalent Na(3)O12 cuboctahedra, faces with four equivalent Na(1)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form NaO12 cuboctahedra that share corners with four equivalent Na(3)O12 cuboctahedra, corners with eight equivalent Na(1)O12 cuboctahedra, faces with two equivalent Na(2)O12 cuboctahedra, faces with four equivalent Na(4)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. In the fourth Na site, Na(4) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form NaO12 cuboctahedra that share corners with four equivalent Na(4)O12 cuboctahedra, corners with eight equivalent Na(2)O12 cuboctahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with four equivalent Na(3)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent Na(2)O12 cuboctahedra, faces with two equivalent Na(3)O12 cuboctahedra, and faces with two equivalent Na(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent Na(2)O12 cuboctahedra, faces with two equivalent Na(3)O12 cuboctahedra, and faces with two equivalent Na(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-12°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms. In the second O site, O(6) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Na(2), and two equivalent Nb(2) atoms. In the third O site, O(7) is bonded in a distorted linear geometry to two equivalent Na(3), two equivalent Na(4), and two equivalent Nb(1) atoms. In the fourth O site, O(8) is bonded in a 2-coordinate geometry to two equivalent Na(3), two equivalent Na(4), and two equivalent Nb(2) atoms. In the fifth O site, O(1) is bonded in a distorted linear geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Nb(1), and one Nb(2) atom. In the sixth O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Nb(1), and one Nb(2) atom. In the seventh O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Nb(1), and one Nb(2) atom. In the eighth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Nb(1), and one Nb(2) atom to form distorted corner-sharing ONa4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. is represented by the CIF card [CIF]
data_NaNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.029
_cell_length_b   4.029
_cell_length_c   15.991
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.114
_symmetry_Int_Tables_number   1
_cell_volume   259.558
_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  0.497  0.497  0.500  1.0
  Na  Na1  1  0.503  0.503  0.000  1.0
  Na  Na2  1  0.488  0.512  0.750  1.0
  Na  Na3  1  0.512  0.488  0.250  1.0
  Nb  Nb4  1  0.976  0.020  0.625  1.0
  Nb  Nb5  1  0.980  0.024  0.875  1.0
  Nb  Nb6  1  0.024  0.980  0.125  1.0
  Nb  Nb7  1  0.020  0.976  0.375  1.0
  O  O8  1  0.502  0.994  0.625  1.0
  O  O9  1  0.006  0.498  0.875  1.0
  O  O10  1  0.498  0.006  0.125  1.0
  O  O11  1  0.994  0.502  0.375  1.0
  O  O12  1  0.006  0.497  0.625  1.0
  O  O13  1  0.503  0.994  0.875  1.0
  O  O14  1  0.994  0.503  0.125  1.0
  O  O15  1  0.497  0.006  0.375  1.0
  O  O16  1  1.000  1.000  0.500  1.0
  O  O17  1  0.000  0.000  1.000  1.0
  O  O18  1  0.006  0.994  0.750  1.0
  O  O19  1  0.994  0.006  0.250  1.0
[/CIF]
.