data_NaClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22
_cell_length_b   5.56
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaClO4
_chemical_formula_sum   'Na4 Cl4 O16'
_cell_volume   321.51
_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  0.72  0.17  0.2  1.0
  Na  Na1  1  0.61  0.17  0.32  1.0
  Na  Na2  1  0.51  0.39  0.83  1.0
  Na  Na3  1  0.62  0.39  0.72  1.0
  Cl  Cl4  1  0.6  0.17  0.75  1.0
  Cl  Cl5  1  0.71  0.17  0.8  1.0
  Cl  Cl6  1  0.63  0.39  0.28  1.0
  Cl  Cl7  1  0.52  0.39  0.24  1.0
  O  O8  1  0.76  0.17  0.11  1.0
  O  O9  1  0.61  0.19  0.39  1.0
  O  O10  1  0.61  0.97  0.65  1.0
  O  O11  1  0.47  0.39  0.93  1.0
  O  O12  1  0.61  0.58  0.39  1.0
  O  O13  1  0.72  0.19  0.13  1.0
  O  O14  1  0.6  0.17  0.84  1.0
  O  O15  1  0.73  0.39  0.33  1.0
  O  O16  1  0.5  0.36  0.9  1.0
  O  O17  1  0.35  0.39  0.59  1.0
  O  O18  1  0.87  0.17  0.45  1.0
  O  O19  1  0.72  0.58  0.13  1.0
  O  O20  1  0.49  0.17  0.71  1.0
  O  O21  1  0.62  0.39  0.19  1.0
  O  O22  1  0.61  0.36  0.65  1.0
  O  O23  1  0.5  0.97  0.9  1.0

data_NaClO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.56
_cell_length_b   7.04
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaClO4
_chemical_formula_sum   'Na4 Cl4 O16'
_cell_volume   321.51
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.11  0.7  0.51  1.0
  Na  Na1  2  0.11  0.82  0.39  1.0
  Cl  Cl2  2  0.11  0.22  0.4  1.0
  Cl  Cl3  2  0.11  0.26  0.52  1.0
  O  O4  2  0.08  0.63  0.5  1.0
  O  O5  2  0.08  0.89  0.39  1.0
  O  O6  2  0.11  0.17  0.51  1.0
  O  O7  2  0.11  0.31  0.62  1.0
  O  O8  2  0.11  0.57  0.24  1.0
  O  O9  2  0.11  0.91  0.35  1.0
  O  O10  2  0.31  0.37  0.5  1.0
  O  O11  2  0.31  0.11  0.61  1.0

Na Na Na Na Cl Cl Cl Cl O O O O O O O O O O O O O O O O
NaClO4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two sodium hydroxide molecules and two NaO7Cl2 clusters. In each NaO7Cl2 cluster, Na(1) is bonded in a single-bond geometry to one O(4), one O(6), and one O(7) atom. The Na(1)-O(4) bond length is 0.52 Å. The Na(1)-O(6) bond length is 1.51 Å. The Na(1)-O(7) bond length is 2.13 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one O(4) atom. The O(1)-O(4) bond length is 0.37 Å. In the second O site, O(3) is bonded in a single-bond geometry to one Cl(1) atom. The O(3)-Cl(1) bond length is 1.32 Å. In the third O site, O(4) is bonded in a single-bond geometry to one Na(1) and one O(1) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to one O(8), one Cl(1), and one Cl(2) atom. The O(5)-O(8) bond length is 1.44 Å. The O(5)-Cl(1) bond length is 0.63 Å. The O(5)-Cl(2) bond length is 0.92 Å. In the fifth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1) and one Cl(1) atom. The O(6)-Cl(1) bond length is 0.92 Å. In the sixth O site, O(7) is bonded in a single-bond geometry to one Na(1) atom. In the seventh O site, O(8) is bonded in a single-bond geometry to one O(5) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 1-coordinate geometry to one O(3), one O(5), and one O(6) atom. In the second Cl site, Cl(2) is bonded in a 1-coordinate geometry to one O(5) atom.