The material described by K3WS3OCl crystallizes in the orthorhombic Pca2_1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), one O(1), and two equivalent Cl(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent S(2), two equivalent S(3), one O(1), and two equivalent Cl(1) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), one O(1), and two equivalent Cl(1) atoms. W(1) is bonded in a distorted tetrahedral geometry to one S(1), one S(2), one S(3), and one O(1) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(1), two equivalent K(3), and one W(1) atom to form distorted SK4W trigonal bipyramids that share corners with three equivalent S(2)K4W trigonal bipyramids, corners with four equivalent S(1)K4W trigonal bipyramids, edges with four equivalent Cl(1)K6 octahedra, and  an edgeedge with one S(2)K4W trigonal bipyramid. In the second S site, S(2) is bonded to two equivalent K(1), two equivalent K(2), and one W(1) atom to form distorted SK4W trigonal bipyramids that share corners with three equivalent S(1)K4W trigonal bipyramids, corners with four equivalent S(2)K4W trigonal bipyramids, edges with four equivalent Cl(1)K6 octahedra, and  an edgeedge with one S(1)K4W trigonal bipyramid. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent K(2), two equivalent K(3), and one W(1) atom. O(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one K(3), and one W(1) atom. Cl(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent K(3) atoms to form ClK6 octahedra that share corners with six equivalent Cl(1)K6 octahedra, edges with four equivalent S(1)K4W trigonal bipyramids, and edges with four equivalent S(2)K4W trigonal bipyramids. The corner-sharing octahedral tilt angles range from 14-20°. is represented by the CIF file [CIF]
data_K3WS3ClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.435
_cell_length_b   12.584
_cell_length_c   12.733
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1031.235
_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  0.603  0.760  0.735  1.0
  K  K1  1  0.039  0.002  0.704  1.0
  K  K2  1  0.039  0.502  0.796  1.0
  K  K3  1  0.397  0.260  0.265  1.0
  K  K4  1  0.961  0.502  0.296  1.0
  K  K5  1  0.961  0.002  0.204  1.0
  K  K6  1  0.585  0.999  0.480  1.0
  K  K7  1  0.585  0.499  0.020  1.0
  K  K8  1  0.397  0.760  0.235  1.0
  K  K9  1  0.415  0.499  0.520  1.0
  K  K10  1  0.415  0.999  0.980  1.0
  K  K11  1  0.603  0.260  0.765  1.0
  W  W12  1  0.997  0.750  0.494  1.0
  W  W13  1  0.003  0.750  0.994  1.0
  W  W14  1  0.997  0.250  0.006  1.0
  W  W15  1  0.003  0.250  0.506  1.0
  S  S16  1  0.657  0.769  0.005  1.0
  S  S17  1  0.101  0.270  0.673  1.0
  S  S18  1  0.913  0.087  0.951  1.0
  S  S19  1  0.343  0.269  0.995  1.0
  S  S20  1  0.343  0.769  0.505  1.0
  S  S21  1  0.899  0.770  0.327  1.0
  S  S22  1  0.087  0.087  0.451  1.0
  S  S23  1  0.101  0.770  0.827  1.0
  S  S24  1  0.899  0.270  0.173  1.0
  S  S25  1  0.087  0.587  0.049  1.0
  S  S26  1  0.913  0.587  0.549  1.0
  S  S27  1  0.657  0.269  0.495  1.0
  Cl  Cl28  1  0.475  0.012  0.232  1.0
  Cl  Cl29  1  0.525  0.012  0.732  1.0
  Cl  Cl30  1  0.475  0.512  0.268  1.0
  Cl  Cl31  1  0.525  0.512  0.768  1.0
  O  O32  1  0.868  0.347  0.925  1.0
  O  O33  1  0.868  0.847  0.575  1.0
  O  O34  1  0.132  0.847  0.075  1.0
  O  O35  1  0.132  0.347  0.425  1.0
[/CIF]
.
The material described by K3WS3OCl crystallizes in the orthorhombic Pca2_1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), one O(1), and two equivalent Cl(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent S(2), two equivalent S(3), one O(1), and two equivalent Cl(1) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), one O(1), and two equivalent Cl(1) atoms. W(1) is bonded in a distorted tetrahedral geometry to one S(1), one S(2), one S(3), and one O(1) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(1), two equivalent K(3), and one W(1) atom to form distorted SK4W trigonal bipyramids that share corners with three equivalent S(2)K4W trigonal bipyramids, corners with four equivalent S(1)K4W trigonal bipyramids, edges with four equivalent Cl(1)K6 octahedra, and  an edgeedge with one S(2)K4W trigonal bipyramid. In the second S site, S(2) is bonded to two equivalent K(1), two equivalent K(2), and one W(1) atom to form distorted SK4W trigonal bipyramids that share corners with three equivalent S(1)K4W trigonal bipyramids, corners with four equivalent S(2)K4W trigonal bipyramids, edges with four equivalent Cl(1)K6 octahedra, and  an edgeedge with one S(1)K4W trigonal bipyramid. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent K(2), two equivalent K(3), and one W(1) atom. O(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one K(3), and one W(1) atom. Cl(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent K(3) atoms to form ClK6 octahedra that share corners with six equivalent Cl(1)K6 octahedra, edges with four equivalent S(1)K4W trigonal bipyramids, and edges with four equivalent S(2)K4W trigonal bipyramids. The corner-sharing octahedral tilt angles range from 14-20°. is represented by the CIF file [CIF]
data_K3WS3ClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.435
_cell_length_b   12.584
_cell_length_c   12.733
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1031.235
_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  0.603  0.760  0.735  1.0
  K  K1  1  0.039  0.002  0.704  1.0
  K  K2  1  0.039  0.502  0.796  1.0
  K  K3  1  0.397  0.260  0.265  1.0
  K  K4  1  0.961  0.502  0.296  1.0
  K  K5  1  0.961  0.002  0.204  1.0
  K  K6  1  0.585  0.999  0.480  1.0
  K  K7  1  0.585  0.499  0.020  1.0
  K  K8  1  0.397  0.760  0.235  1.0
  K  K9  1  0.415  0.499  0.520  1.0
  K  K10  1  0.415  0.999  0.980  1.0
  K  K11  1  0.603  0.260  0.765  1.0
  W  W12  1  0.997  0.750  0.494  1.0
  W  W13  1  0.003  0.750  0.994  1.0
  W  W14  1  0.997  0.250  0.006  1.0
  W  W15  1  0.003  0.250  0.506  1.0
  S  S16  1  0.657  0.769  0.005  1.0
  S  S17  1  0.101  0.270  0.673  1.0
  S  S18  1  0.913  0.087  0.951  1.0
  S  S19  1  0.343  0.269  0.995  1.0
  S  S20  1  0.343  0.769  0.505  1.0
  S  S21  1  0.899  0.770  0.327  1.0
  S  S22  1  0.087  0.087  0.451  1.0
  S  S23  1  0.101  0.770  0.827  1.0
  S  S24  1  0.899  0.270  0.173  1.0
  S  S25  1  0.087  0.587  0.049  1.0
  S  S26  1  0.913  0.587  0.549  1.0
  S  S27  1  0.657  0.269  0.495  1.0
  Cl  Cl28  1  0.475  0.012  0.232  1.0
  Cl  Cl29  1  0.525  0.012  0.732  1.0
  Cl  Cl30  1  0.475  0.512  0.268  1.0
  Cl  Cl31  1  0.525  0.512  0.768  1.0
  O  O32  1  0.868  0.347  0.925  1.0
  O  O33  1  0.868  0.847  0.575  1.0
  O  O34  1  0.132  0.847  0.075  1.0
  O  O35  1  0.132  0.347  0.425  1.0
[/CIF]
.