The structure described by Na5S3O12Cl crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), four equivalent O(3), and two equivalent Cl(1) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), and one S(1) atom to form distorted ONa3S tetrahedra that share corners with two equivalent Cl(1)Na6 octahedra and edges with two equivalent O(1)Na3S tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one S(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one S(1) atom. Cl(1) is bonded to six equivalent Na(2) atoms to form ClNa6 octahedra that share corners with six equivalent O(1)Na3S tetrahedra and faces with two equivalent Cl(1)Na6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5S3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.906
_cell_length_b   9.906
_cell_length_c   6.788
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   576.792
_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  0.989  1.0
  Na  Na1  1  0.667  0.333  0.011  1.0
  Na  Na2  1  0.667  0.333  0.489  1.0
  Na  Na3  1  0.333  0.667  0.511  1.0
  Na  Na4  1  0.255  0.258  0.250  1.0
  Na  Na5  1  0.745  0.742  0.750  1.0
  Na  Na6  1  0.742  0.997  0.250  1.0
  Na  Na7  1  0.258  0.003  0.750  1.0
  Na  Na8  1  0.003  0.745  0.250  1.0
  Na  Na9  1  0.997  0.255  0.750  1.0
  S  S10  1  0.031  0.411  0.250  1.0
  S  S11  1  0.969  0.589  0.750  1.0
  S  S12  1  0.589  0.620  0.250  1.0
  S  S13  1  0.411  0.380  0.750  1.0
  S  S14  1  0.380  0.969  0.250  1.0
  S  S15  1  0.620  0.031  0.750  1.0
  Cl  Cl16  1  0.000  0.000  0.000  1.0
  Cl  Cl17  1  0.000  0.000  0.500  1.0
  O  O18  1  0.122  0.585  0.250  1.0
  O  O19  1  0.878  0.415  0.750  1.0
  O  O20  1  0.415  0.537  0.250  1.0
  O  O21  1  0.585  0.463  0.750  1.0
  O  O22  1  0.463  0.878  0.250  1.0
  O  O23  1  0.537  0.122  0.750  1.0
  O  O24  1  0.492  0.138  0.250  1.0
  O  O25  1  0.508  0.862  0.750  1.0
  O  O26  1  0.862  0.354  0.250  1.0
  O  O27  1  0.138  0.646  0.750  1.0
  O  O28  1  0.646  0.508  0.250  1.0
  O  O29  1  0.354  0.492  0.750  1.0
  O  O30  1  0.080  0.356  0.073  1.0
  O  O31  1  0.920  0.644  0.927  1.0
  O  O32  1  0.644  0.724  0.073  1.0
  O  O33  1  0.920  0.644  0.573  1.0
  O  O34  1  0.356  0.276  0.927  1.0
  O  O35  1  0.080  0.356  0.427  1.0
  O  O36  1  0.276  0.920  0.073  1.0
  O  O37  1  0.356  0.276  0.573  1.0
  O  O38  1  0.724  0.080  0.927  1.0
  O  O39  1  0.644  0.724  0.427  1.0
  O  O40  1  0.724  0.080  0.573  1.0
  O  O41  1  0.276  0.920  0.427  1.0
[/CIF]
.
The structure described by Na5S3O12Cl crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), four equivalent O(3), and two equivalent Cl(1) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), and one S(1) atom to form distorted ONa3S tetrahedra that share corners with two equivalent Cl(1)Na6 octahedra and edges with two equivalent O(1)Na3S tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one S(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one S(1) atom. Cl(1) is bonded to six equivalent Na(2) atoms to form ClNa6 octahedra that share corners with six equivalent O(1)Na3S tetrahedra and faces with two equivalent Cl(1)Na6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5S3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.906
_cell_length_b   9.906
_cell_length_c   6.788
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   576.792
_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  0.989  1.0
  Na  Na1  1  0.667  0.333  0.011  1.0
  Na  Na2  1  0.667  0.333  0.489  1.0
  Na  Na3  1  0.333  0.667  0.511  1.0
  Na  Na4  1  0.255  0.258  0.250  1.0
  Na  Na5  1  0.745  0.742  0.750  1.0
  Na  Na6  1  0.742  0.997  0.250  1.0
  Na  Na7  1  0.258  0.003  0.750  1.0
  Na  Na8  1  0.003  0.745  0.250  1.0
  Na  Na9  1  0.997  0.255  0.750  1.0
  S  S10  1  0.031  0.411  0.250  1.0
  S  S11  1  0.969  0.589  0.750  1.0
  S  S12  1  0.589  0.620  0.250  1.0
  S  S13  1  0.411  0.380  0.750  1.0
  S  S14  1  0.380  0.969  0.250  1.0
  S  S15  1  0.620  0.031  0.750  1.0
  Cl  Cl16  1  0.000  0.000  0.000  1.0
  Cl  Cl17  1  0.000  0.000  0.500  1.0
  O  O18  1  0.122  0.585  0.250  1.0
  O  O19  1  0.878  0.415  0.750  1.0
  O  O20  1  0.415  0.537  0.250  1.0
  O  O21  1  0.585  0.463  0.750  1.0
  O  O22  1  0.463  0.878  0.250  1.0
  O  O23  1  0.537  0.122  0.750  1.0
  O  O24  1  0.492  0.138  0.250  1.0
  O  O25  1  0.508  0.862  0.750  1.0
  O  O26  1  0.862  0.354  0.250  1.0
  O  O27  1  0.138  0.646  0.750  1.0
  O  O28  1  0.646  0.508  0.250  1.0
  O  O29  1  0.354  0.492  0.750  1.0
  O  O30  1  0.080  0.356  0.073  1.0
  O  O31  1  0.920  0.644  0.927  1.0
  O  O32  1  0.644  0.724  0.073  1.0
  O  O33  1  0.920  0.644  0.573  1.0
  O  O34  1  0.356  0.276  0.927  1.0
  O  O35  1  0.080  0.356  0.427  1.0
  O  O36  1  0.276  0.920  0.073  1.0
  O  O37  1  0.356  0.276  0.573  1.0
  O  O38  1  0.724  0.080  0.927  1.0
  O  O39  1  0.644  0.724  0.427  1.0
  O  O40  1  0.724  0.080  0.573  1.0
  O  O41  1  0.276  0.920  0.427  1.0
[/CIF]
.