The material described by K2WS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to two equivalent S(3), three equivalent S(2), and four equivalent S(1) atoms. In the second K site, K(2) is bonded to one S(2), two equivalent S(3), and four equivalent S(1) atoms to form distorted KS7 hexagonal pyramids that share corners with two equivalent K(2)S7 hexagonal pyramids,  a cornercorner with one W(1)S4 tetrahedra, edges with two equivalent K(2)S7 hexagonal pyramids, and edges with three equivalent W(1)S4 tetrahedra. W(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form WS4 tetrahedra that share  a cornercorner with one K(2)S7 hexagonal pyramid and edges with three equivalent K(2)S7 hexagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(1), two equivalent K(2), and one W(1) atom to form a mixture of distorted edge, face, and corner-sharing SK4W trigonal bipyramids. In the second S site, S(2) is bonded to one K(2), three equivalent K(1), and one W(1) atom to form a mixture of distorted edge and corner-sharing SK4W trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent K(1), two equivalent K(2), and one W(1) atom to form a mixture of distorted edge and corner-sharing SK4W square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.966
_cell_length_b   9.356
_cell_length_c   12.352
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   804.993
_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  0.750  0.537  0.331  1.0
  K  K1  1  0.250  0.463  0.669  1.0
  K  K2  1  0.250  0.963  0.831  1.0
  K  K3  1  0.750  0.037  0.169  1.0
  K  K4  1  0.750  0.850  0.600  1.0
  K  K5  1  0.250  0.150  0.400  1.0
  K  K6  1  0.250  0.650  0.100  1.0
  K  K7  1  0.750  0.350  0.900  1.0
  W  W8  1  0.750  0.760  0.927  1.0
  W  W9  1  0.250  0.240  0.073  1.0
  W  W10  1  0.250  0.740  0.427  1.0
  W  W11  1  0.750  0.260  0.573  1.0
  S  S12  1  0.003  0.662  0.854  1.0
  S  S13  1  0.997  0.338  0.146  1.0
  S  S14  1  0.997  0.838  0.354  1.0
  S  S15  1  0.503  0.338  0.146  1.0
  S  S16  1  0.003  0.162  0.646  1.0
  S  S17  1  0.497  0.662  0.854  1.0
  S  S18  1  0.497  0.162  0.646  1.0
  S  S19  1  0.503  0.838  0.354  1.0
  S  S20  1  0.750  0.991  0.898  1.0
  S  S21  1  0.250  0.009  0.102  1.0
  S  S22  1  0.250  0.509  0.398  1.0
  S  S23  1  0.750  0.491  0.602  1.0
  S  S24  1  0.750  0.211  0.399  1.0
  S  S25  1  0.250  0.789  0.601  1.0
  S  S26  1  0.250  0.289  0.899  1.0
  S  S27  1  0.750  0.711  0.101  1.0
[/CIF]
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The material described by K2WS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to two equivalent S(3), three equivalent S(2), and four equivalent S(1) atoms. In the second K site, K(2) is bonded to one S(2), two equivalent S(3), and four equivalent S(1) atoms to form distorted KS7 hexagonal pyramids that share corners with two equivalent K(2)S7 hexagonal pyramids,  a cornercorner with one W(1)S4 tetrahedra, edges with two equivalent K(2)S7 hexagonal pyramids, and edges with three equivalent W(1)S4 tetrahedra. W(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form WS4 tetrahedra that share  a cornercorner with one K(2)S7 hexagonal pyramid and edges with three equivalent K(2)S7 hexagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(1), two equivalent K(2), and one W(1) atom to form a mixture of distorted edge, face, and corner-sharing SK4W trigonal bipyramids. In the second S site, S(2) is bonded to one K(2), three equivalent K(1), and one W(1) atom to form a mixture of distorted edge and corner-sharing SK4W trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent K(1), two equivalent K(2), and one W(1) atom to form a mixture of distorted edge and corner-sharing SK4W square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.966
_cell_length_b   9.356
_cell_length_c   12.352
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   804.993
_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  0.750  0.537  0.331  1.0
  K  K1  1  0.250  0.463  0.669  1.0
  K  K2  1  0.250  0.963  0.831  1.0
  K  K3  1  0.750  0.037  0.169  1.0
  K  K4  1  0.750  0.850  0.600  1.0
  K  K5  1  0.250  0.150  0.400  1.0
  K  K6  1  0.250  0.650  0.100  1.0
  K  K7  1  0.750  0.350  0.900  1.0
  W  W8  1  0.750  0.760  0.927  1.0
  W  W9  1  0.250  0.240  0.073  1.0
  W  W10  1  0.250  0.740  0.427  1.0
  W  W11  1  0.750  0.260  0.573  1.0
  S  S12  1  0.003  0.662  0.854  1.0
  S  S13  1  0.997  0.338  0.146  1.0
  S  S14  1  0.997  0.838  0.354  1.0
  S  S15  1  0.503  0.338  0.146  1.0
  S  S16  1  0.003  0.162  0.646  1.0
  S  S17  1  0.497  0.662  0.854  1.0
  S  S18  1  0.497  0.162  0.646  1.0
  S  S19  1  0.503  0.838  0.354  1.0
  S  S20  1  0.750  0.991  0.898  1.0
  S  S21  1  0.250  0.009  0.102  1.0
  S  S22  1  0.250  0.509  0.398  1.0
  S  S23  1  0.750  0.491  0.602  1.0
  S  S24  1  0.750  0.211  0.399  1.0
  S  S25  1  0.250  0.789  0.601  1.0
  S  S26  1  0.250  0.289  0.899  1.0
  S  S27  1  0.750  0.711  0.101  1.0
[/CIF]
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