The material 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 63°. 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   6.690
_cell_length_b   6.690
_cell_length_c   6.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.365
_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  0.064  0.064  0.064  1.0
  Na  Na1  1  0.436  0.936  0.564  1.0
  Na  Na2  1  0.564  0.436  0.936  1.0
  Na  Na3  1  0.936  0.564  0.436  1.0
  Cl  Cl4  1  0.422  0.422  0.422  1.0
  Cl  Cl5  1  0.078  0.578  0.922  1.0
  Cl  Cl6  1  0.922  0.078  0.578  1.0
  Cl  Cl7  1  0.578  0.922  0.078  1.0
  O  O8  1  0.193  0.404  0.008  1.0
  O  O9  1  0.693  0.096  0.992  1.0
  O  O10  1  0.807  0.904  0.492  1.0
  O  O11  1  0.096  0.992  0.693  1.0
  O  O12  1  0.492  0.807  0.904  1.0
  O  O13  1  0.992  0.693  0.096  1.0
  O  O14  1  0.404  0.008  0.193  1.0
  O  O15  1  0.008  0.193  0.404  1.0
  O  O16  1  0.307  0.596  0.508  1.0
  O  O17  1  0.508  0.307  0.596  1.0
  O  O18  1  0.596  0.508  0.307  1.0
  O  O19  1  0.904  0.492  0.807  1.0
[/CIF]
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The material 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 63°. 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   6.690
_cell_length_b   6.690
_cell_length_c   6.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.365
_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  0.064  0.064  0.064  1.0
  Na  Na1  1  0.436  0.936  0.564  1.0
  Na  Na2  1  0.564  0.436  0.936  1.0
  Na  Na3  1  0.936  0.564  0.436  1.0
  Cl  Cl4  1  0.422  0.422  0.422  1.0
  Cl  Cl5  1  0.078  0.578  0.922  1.0
  Cl  Cl6  1  0.922  0.078  0.578  1.0
  Cl  Cl7  1  0.578  0.922  0.078  1.0
  O  O8  1  0.193  0.404  0.008  1.0
  O  O9  1  0.693  0.096  0.992  1.0
  O  O10  1  0.807  0.904  0.492  1.0
  O  O11  1  0.096  0.992  0.693  1.0
  O  O12  1  0.492  0.807  0.904  1.0
  O  O13  1  0.992  0.693  0.096  1.0
  O  O14  1  0.404  0.008  0.193  1.0
  O  O15  1  0.008  0.193  0.404  1.0
  O  O16  1  0.307  0.596  0.508  1.0
  O  O17  1  0.508  0.307  0.596  1.0
  O  O18  1  0.596  0.508  0.307  1.0
  O  O19  1  0.904  0.492  0.807  1.0
[/CIF]
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