The material structure described by NaClO3 crystallizes in the trigonal R3 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), two equivalent O(4), and one Cl(2) atom to form distorted edge-sharing NaClO4 trigonal bipyramids. In the second Na site, Na(2) is bonded in a distorted T-shaped geometry to three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Na(1) and one Cl(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Na(1) and one O(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one Cl(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to one O(1) and one O(4) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to three equivalent Na(1) atoms. is represented by the CIF card [CIF]
data_NaClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.682
_cell_length_b   7.682
_cell_length_c   7.682
_cell_angle_alpha   86.766
_cell_angle_beta   86.766
_cell_angle_gamma   86.766
_symmetry_Int_Tables_number   1
_cell_volume   451.319
_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  0.048  0.072  0.400  1.0
  Na  Na1  1  0.400  0.048  0.072  1.0
  Na  Na2  1  0.362  0.362  0.362  1.0
  Na  Na3  1  0.072  0.400  0.048  1.0
  Cl  Cl4  1  0.946  0.595  0.408  1.0
  Cl  Cl5  1  0.408  0.946  0.595  1.0
  Cl  Cl6  1  0.595  0.408  0.946  1.0
  Cl  Cl7  1  0.057  0.057  0.057  1.0
  O  O8  1  0.439  0.903  0.805  1.0
  O  O9  1  0.150  0.621  0.783  1.0
  O  O10  1  0.805  0.439  0.903  1.0
  O  O11  1  0.062  0.760  0.770  1.0
  O  O12  1  0.621  0.783  0.150  1.0
  O  O13  1  0.360  0.063  0.398  1.0
  O  O14  1  0.760  0.770  0.062  1.0
  O  O15  1  0.783  0.150  0.621  1.0
  O  O16  1  0.398  0.360  0.063  1.0
  O  O17  1  0.903  0.805  0.439  1.0
  O  O18  1  0.770  0.062  0.760  1.0
  O  O19  1  0.063  0.398  0.360  1.0
[/CIF]
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The material structure described by NaClO3 crystallizes in the trigonal R3 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), two equivalent O(4), and one Cl(2) atom to form distorted edge-sharing NaClO4 trigonal bipyramids. In the second Na site, Na(2) is bonded in a distorted T-shaped geometry to three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Na(1) and one Cl(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Na(1) and one O(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one Cl(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to one O(1) and one O(4) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to three equivalent Na(1) atoms. is represented by the CIF card [CIF]
data_NaClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.682
_cell_length_b   7.682
_cell_length_c   7.682
_cell_angle_alpha   86.766
_cell_angle_beta   86.766
_cell_angle_gamma   86.766
_symmetry_Int_Tables_number   1
_cell_volume   451.319
_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  0.048  0.072  0.400  1.0
  Na  Na1  1  0.400  0.048  0.072  1.0
  Na  Na2  1  0.362  0.362  0.362  1.0
  Na  Na3  1  0.072  0.400  0.048  1.0
  Cl  Cl4  1  0.946  0.595  0.408  1.0
  Cl  Cl5  1  0.408  0.946  0.595  1.0
  Cl  Cl6  1  0.595  0.408  0.946  1.0
  Cl  Cl7  1  0.057  0.057  0.057  1.0
  O  O8  1  0.439  0.903  0.805  1.0
  O  O9  1  0.150  0.621  0.783  1.0
  O  O10  1  0.805  0.439  0.903  1.0
  O  O11  1  0.062  0.760  0.770  1.0
  O  O12  1  0.621  0.783  0.150  1.0
  O  O13  1  0.360  0.063  0.398  1.0
  O  O14  1  0.760  0.770  0.062  1.0
  O  O15  1  0.783  0.150  0.621  1.0
  O  O16  1  0.398  0.360  0.063  1.0
  O  O17  1  0.903  0.805  0.439  1.0
  O  O18  1  0.770  0.062  0.760  1.0
  O  O19  1  0.063  0.398  0.360  1.0
[/CIF]
.