The material described by K2NaS2O6Cl crystallizes in the tetragonal P4/n space group. K(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), three equivalent O(3), one Cl(1), and one Cl(2) atom. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent O(2) and two equivalent Cl(1) atoms to form corner-sharing NaCl2O4 octahedra. The corner-sharing octahedra are not tilted. In the second Na site, Na(2) is bonded to four equivalent O(1) and two equivalent Cl(2) atoms to form distorted corner-sharing NaCl2O4 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Na(2), and one S(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Na(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent K(1) and two equivalent Na(1) atoms to form distorted corner-sharing ClK4Na2 octahedra. The corner-sharing octahedral tilt angles range from 0-27°. In the second Cl site, Cl(2) is bonded to four equivalent K(1) and two equivalent Na(2) atoms to form corner-sharing ClK4Na2 octahedra. The corner-sharing octahedral tilt angles range from 0-27°. is represented by the CIF card [CIF]
data_K2NaS2ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.322
_cell_length_b   12.322
_cell_length_c   5.671
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   861.028
_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
  K  K0  1  0.055  0.250  0.483  1.0
  K  K1  1  0.750  0.445  0.483  1.0
  K  K2  1  0.445  0.250  0.517  1.0
  K  K3  1  0.945  0.750  0.483  1.0
  K  K4  1  0.250  0.555  0.483  1.0
  K  K5  1  0.250  0.945  0.517  1.0
  K  K6  1  0.555  0.750  0.517  1.0
  K  K7  1  0.750  0.055  0.517  1.0
  Na  Na8  1  0.500  0.000  0.947  1.0
  Na  Na9  1  0.000  0.000  0.000  1.0
  Na  Na10  1  0.000  0.500  0.053  1.0
  Na  Na11  1  0.500  0.500  0.000  1.0
  S  S12  1  0.759  0.838  0.024  1.0
  S  S13  1  0.662  0.259  0.024  1.0
  S  S14  1  0.838  0.241  0.976  1.0
  S  S15  1  0.259  0.338  0.976  1.0
  S  S16  1  0.741  0.662  0.976  1.0
  S  S17  1  0.241  0.162  0.024  1.0
  S  S18  1  0.338  0.741  0.024  1.0
  S  S19  1  0.162  0.759  0.976  1.0
  Cl  Cl20  1  0.500  0.000  0.438  1.0
  Cl  Cl21  1  0.000  0.000  0.500  1.0
  Cl  Cl22  1  0.000  0.500  0.562  1.0
  Cl  Cl23  1  0.500  0.500  0.500  1.0
  O  O24  1  0.868  0.860  0.928  1.0
  O  O25  1  0.140  0.868  0.072  1.0
  O  O26  1  0.387  0.830  0.889  1.0
  O  O27  1  0.749  0.647  0.719  1.0
  O  O28  1  0.170  0.387  0.111  1.0
  O  O29  1  0.113  0.670  0.111  1.0
  O  O30  1  0.640  0.368  0.928  1.0
  O  O31  1  0.647  0.251  0.281  1.0
  O  O32  1  0.147  0.751  0.719  1.0
  O  O33  1  0.249  0.147  0.281  1.0
  O  O34  1  0.368  0.360  0.072  1.0
  O  O35  1  0.330  0.113  0.889  1.0
  O  O36  1  0.632  0.640  0.072  1.0
  O  O37  1  0.132  0.140  0.928  1.0
  O  O38  1  0.353  0.749  0.281  1.0
  O  O39  1  0.360  0.632  0.928  1.0
  O  O40  1  0.860  0.132  0.072  1.0
  O  O41  1  0.751  0.853  0.281  1.0
  O  O42  1  0.853  0.249  0.719  1.0
  O  O43  1  0.613  0.170  0.889  1.0
  O  O44  1  0.887  0.330  0.111  1.0
  O  O45  1  0.251  0.353  0.719  1.0
  O  O46  1  0.670  0.887  0.889  1.0
  O  O47  1  0.830  0.613  0.111  1.0
[/CIF]
.
The material described by K2NaS2O6Cl crystallizes in the tetragonal P4/n space group. K(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), three equivalent O(3), one Cl(1), and one Cl(2) atom. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent O(2) and two equivalent Cl(1) atoms to form corner-sharing NaCl2O4 octahedra. The corner-sharing octahedra are not tilted. In the second Na site, Na(2) is bonded to four equivalent O(1) and two equivalent Cl(2) atoms to form distorted corner-sharing NaCl2O4 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Na(2), and one S(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Na(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent K(1) and two equivalent Na(1) atoms to form distorted corner-sharing ClK4Na2 octahedra. The corner-sharing octahedral tilt angles range from 0-27°. In the second Cl site, Cl(2) is bonded to four equivalent K(1) and two equivalent Na(2) atoms to form corner-sharing ClK4Na2 octahedra. The corner-sharing octahedral tilt angles range from 0-27°. is represented by the CIF card [CIF]
data_K2NaS2ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.322
_cell_length_b   12.322
_cell_length_c   5.671
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   861.028
_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
  K  K0  1  0.055  0.250  0.483  1.0
  K  K1  1  0.750  0.445  0.483  1.0
  K  K2  1  0.445  0.250  0.517  1.0
  K  K3  1  0.945  0.750  0.483  1.0
  K  K4  1  0.250  0.555  0.483  1.0
  K  K5  1  0.250  0.945  0.517  1.0
  K  K6  1  0.555  0.750  0.517  1.0
  K  K7  1  0.750  0.055  0.517  1.0
  Na  Na8  1  0.500  0.000  0.947  1.0
  Na  Na9  1  0.000  0.000  0.000  1.0
  Na  Na10  1  0.000  0.500  0.053  1.0
  Na  Na11  1  0.500  0.500  0.000  1.0
  S  S12  1  0.759  0.838  0.024  1.0
  S  S13  1  0.662  0.259  0.024  1.0
  S  S14  1  0.838  0.241  0.976  1.0
  S  S15  1  0.259  0.338  0.976  1.0
  S  S16  1  0.741  0.662  0.976  1.0
  S  S17  1  0.241  0.162  0.024  1.0
  S  S18  1  0.338  0.741  0.024  1.0
  S  S19  1  0.162  0.759  0.976  1.0
  Cl  Cl20  1  0.500  0.000  0.438  1.0
  Cl  Cl21  1  0.000  0.000  0.500  1.0
  Cl  Cl22  1  0.000  0.500  0.562  1.0
  Cl  Cl23  1  0.500  0.500  0.500  1.0
  O  O24  1  0.868  0.860  0.928  1.0
  O  O25  1  0.140  0.868  0.072  1.0
  O  O26  1  0.387  0.830  0.889  1.0
  O  O27  1  0.749  0.647  0.719  1.0
  O  O28  1  0.170  0.387  0.111  1.0
  O  O29  1  0.113  0.670  0.111  1.0
  O  O30  1  0.640  0.368  0.928  1.0
  O  O31  1  0.647  0.251  0.281  1.0
  O  O32  1  0.147  0.751  0.719  1.0
  O  O33  1  0.249  0.147  0.281  1.0
  O  O34  1  0.368  0.360  0.072  1.0
  O  O35  1  0.330  0.113  0.889  1.0
  O  O36  1  0.632  0.640  0.072  1.0
  O  O37  1  0.132  0.140  0.928  1.0
  O  O38  1  0.353  0.749  0.281  1.0
  O  O39  1  0.360  0.632  0.928  1.0
  O  O40  1  0.860  0.132  0.072  1.0
  O  O41  1  0.751  0.853  0.281  1.0
  O  O42  1  0.853  0.249  0.719  1.0
  O  O43  1  0.613  0.170  0.889  1.0
  O  O44  1  0.887  0.330  0.111  1.0
  O  O45  1  0.251  0.353  0.719  1.0
  O  O46  1  0.670  0.887  0.889  1.0
  O  O47  1  0.830  0.613  0.111  1.0
[/CIF]
.