The material described by Na3NO2 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the orthorhombic Ima2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one N(1), one O(2), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms. N(1) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Na(2), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(2) and four equivalent Na(1) atoms to form corner-sharing ONa6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3NO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.401
_cell_length_b   6.401
_cell_length_c   6.401
_cell_angle_alpha   121.093
_cell_angle_beta   118.088
_cell_angle_gamma   90.730
_symmetry_Int_Tables_number   1
_cell_volume   186.460
_cell_formula_units_Z   2
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  0.745  0.297  0.050  1.0
  Na  Na1  1  0.753  0.280  0.533  1.0
  Na  Na2  1  0.254  0.805  0.050  1.0
  Na  Na3  1  0.247  0.780  0.526  1.0
  Na  Na4  1  0.746  0.797  0.551  1.0
  Na  Na5  1  0.255  0.305  0.551  1.0
  N  N6  1  0.671  0.845  0.016  1.0
  N  N7  1  0.329  0.345  0.174  1.0
  O  O8  1  0.500  0.054  0.554  1.0
  O  O9  1  0.000  0.554  0.554  1.0
  O  O10  1  0.137  0.382  0.019  1.0
  O  O11  1  0.863  0.882  0.245  1.0
[/CIF]
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The material described by Na3NO2 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the orthorhombic Ima2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one N(1), one O(2), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms. N(1) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Na(2), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(2) and four equivalent Na(1) atoms to form corner-sharing ONa6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3NO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.401
_cell_length_b   6.401
_cell_length_c   6.401
_cell_angle_alpha   121.093
_cell_angle_beta   118.088
_cell_angle_gamma   90.730
_symmetry_Int_Tables_number   1
_cell_volume   186.460
_cell_formula_units_Z   2
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  0.745  0.297  0.050  1.0
  Na  Na1  1  0.753  0.280  0.533  1.0
  Na  Na2  1  0.254  0.805  0.050  1.0
  Na  Na3  1  0.247  0.780  0.526  1.0
  Na  Na4  1  0.746  0.797  0.551  1.0
  Na  Na5  1  0.255  0.305  0.551  1.0
  N  N6  1  0.671  0.845  0.016  1.0
  N  N7  1  0.329  0.345  0.174  1.0
  O  O8  1  0.500  0.054  0.554  1.0
  O  O9  1  0.000  0.554  0.554  1.0
  O  O10  1  0.137  0.382  0.019  1.0
  O  O11  1  0.863  0.882  0.245  1.0
[/CIF]
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