The material described by Na2SO3 crystallizes in the trigonal P-3 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one S(1) and six equivalent O(1) atoms. In the second Na site, Na(2) is bonded to six equivalent O(1) atoms to form face-sharing NaO6 octahedra. In the third Na site, Na(3) is bonded to six equivalent O(1) atoms to form face-sharing NaO6 octahedra. S(1) is bonded in a distorted trigonal non-coplanar geometry to one Na(1) and three equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2SO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.523
_cell_length_b   5.523
_cell_length_c   6.199
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   163.753
_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  0.333  0.667  0.666  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  Na  Na2  1  0.667  0.333  0.334  1.0
  Na  Na3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.333  0.667  0.165  1.0
  S  S5  1  0.667  0.333  0.835  1.0
  O  O6  1  0.738  0.121  0.735  1.0
  O  O7  1  0.382  0.262  0.735  1.0
  O  O8  1  0.879  0.618  0.735  1.0
  O  O9  1  0.262  0.879  0.265  1.0
  O  O10  1  0.121  0.382  0.265  1.0
  O  O11  1  0.618  0.738  0.265  1.0
[/CIF]
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The material described by Na2SO3 crystallizes in the trigonal P-3 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one S(1) and six equivalent O(1) atoms. In the second Na site, Na(2) is bonded to six equivalent O(1) atoms to form face-sharing NaO6 octahedra. In the third Na site, Na(3) is bonded to six equivalent O(1) atoms to form face-sharing NaO6 octahedra. S(1) is bonded in a distorted trigonal non-coplanar geometry to one Na(1) and three equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2SO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.523
_cell_length_b   5.523
_cell_length_c   6.199
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   163.753
_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  0.333  0.667  0.666  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  Na  Na2  1  0.667  0.333  0.334  1.0
  Na  Na3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.333  0.667  0.165  1.0
  S  S5  1  0.667  0.333  0.835  1.0
  O  O6  1  0.738  0.121  0.735  1.0
  O  O7  1  0.382  0.262  0.735  1.0
  O  O8  1  0.879  0.618  0.735  1.0
  O  O9  1  0.262  0.879  0.265  1.0
  O  O10  1  0.121  0.382  0.265  1.0
  O  O11  1  0.618  0.738  0.265  1.0
[/CIF]
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