The material structure described by NaClO3 crystallizes in the cubic P2_13 space group. Na(1) is bonded to six equivalent O(1) atoms to form corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 64°. O(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one Cl(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. is represented by the CIF card [CIF]
data_NaClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.675
_cell_length_b   6.675
_cell_length_c   6.675
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.468
_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  0.068  0.068  0.068  1.0
  Na  Na1  1  0.432  0.932  0.568  1.0
  Na  Na2  1  0.568  0.432  0.932  1.0
  Na  Na3  1  0.932  0.568  0.432  1.0
  Cl  Cl4  1  0.418  0.418  0.418  1.0
  Cl  Cl5  1  0.082  0.582  0.918  1.0
  Cl  Cl6  1  0.918  0.082  0.582  1.0
  Cl  Cl7  1  0.582  0.918  0.082  1.0
  O  O8  1  0.196  0.406  0.002  1.0
  O  O9  1  0.696  0.094  0.998  1.0
  O  O10  1  0.804  0.906  0.498  1.0
  O  O11  1  0.094  0.998  0.696  1.0
  O  O12  1  0.498  0.804  0.906  1.0
  O  O13  1  0.998  0.696  0.094  1.0
  O  O14  1  0.406  0.002  0.196  1.0
  O  O15  1  0.002  0.196  0.406  1.0
  O  O16  1  0.304  0.594  0.502  1.0
  O  O17  1  0.502  0.304  0.594  1.0
  O  O18  1  0.594  0.502  0.304  1.0
  O  O19  1  0.906  0.498  0.804  1.0
[/CIF]
.
The material structure described by NaClO3 crystallizes in the cubic P2_13 space group. Na(1) is bonded to six equivalent O(1) atoms to form corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 64°. O(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one Cl(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. is represented by the CIF card [CIF]
data_NaClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.675
_cell_length_b   6.675
_cell_length_c   6.675
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.468
_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  0.068  0.068  0.068  1.0
  Na  Na1  1  0.432  0.932  0.568  1.0
  Na  Na2  1  0.568  0.432  0.932  1.0
  Na  Na3  1  0.932  0.568  0.432  1.0
  Cl  Cl4  1  0.418  0.418  0.418  1.0
  Cl  Cl5  1  0.082  0.582  0.918  1.0
  Cl  Cl6  1  0.918  0.082  0.582  1.0
  Cl  Cl7  1  0.582  0.918  0.082  1.0
  O  O8  1  0.196  0.406  0.002  1.0
  O  O9  1  0.696  0.094  0.998  1.0
  O  O10  1  0.804  0.906  0.498  1.0
  O  O11  1  0.094  0.998  0.696  1.0
  O  O12  1  0.498  0.804  0.906  1.0
  O  O13  1  0.998  0.696  0.094  1.0
  O  O14  1  0.406  0.002  0.196  1.0
  O  O15  1  0.002  0.196  0.406  1.0
  O  O16  1  0.304  0.594  0.502  1.0
  O  O17  1  0.502  0.304  0.594  1.0
  O  O18  1  0.594  0.502  0.304  1.0
  O  O19  1  0.906  0.498  0.804  1.0
[/CIF]
.