The structure described by K3PS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and four equivalent S(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. P(1) is bonded in a tetrahedral geometry to one S(1), one S(2), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one K(1), four equivalent K(2), and one P(1) atom to form edge-sharing SK5P octahedra. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent K(1), four equivalent K(2), and one P(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent K(1), three equivalent K(2), and one P(1) atom. is represented by the CIF file [CIF]
data_K3PS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.034
_cell_length_b   9.148
_cell_length_c   10.525
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   869.710
_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  0.644  0.420  0.250  1.0
  K  K1  1  0.856  0.920  0.750  1.0
  K  K2  1  0.144  0.080  0.250  1.0
  K  K3  1  0.356  0.580  0.750  1.0
  K  K4  1  0.447  0.798  0.042  1.0
  K  K5  1  0.053  0.298  0.958  1.0
  K  K6  1  0.947  0.702  0.458  1.0
  K  K7  1  0.553  0.202  0.542  1.0
  K  K8  1  0.553  0.202  0.958  1.0
  K  K9  1  0.947  0.702  0.042  1.0
  K  K10  1  0.053  0.298  0.542  1.0
  K  K11  1  0.447  0.798  0.458  1.0
  P  P12  1  0.721  0.980  0.250  1.0
  P  P13  1  0.779  0.480  0.750  1.0
  P  P14  1  0.221  0.520  0.250  1.0
  P  P15  1  0.279  0.020  0.750  1.0
  S  S16  1  0.695  0.758  0.250  1.0
  S  S17  1  0.805  0.258  0.750  1.0
  S  S18  1  0.195  0.742  0.250  1.0
  S  S19  1  0.305  0.242  0.750  1.0
  S  S20  1  0.516  0.079  0.250  1.0
  S  S21  1  0.984  0.579  0.750  1.0
  S  S22  1  0.016  0.421  0.250  1.0
  S  S23  1  0.484  0.921  0.750  1.0
  S  S24  1  0.833  0.039  0.090  1.0
  S  S25  1  0.667  0.539  0.910  1.0
  S  S26  1  0.333  0.461  0.410  1.0
  S  S27  1  0.167  0.961  0.590  1.0
  S  S28  1  0.167  0.961  0.910  1.0
  S  S29  1  0.333  0.461  0.090  1.0
  S  S30  1  0.667  0.539  0.590  1.0
  S  S31  1  0.833  0.039  0.410  1.0
[/CIF]
.
The structure described by K3PS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and four equivalent S(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. P(1) is bonded in a tetrahedral geometry to one S(1), one S(2), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one K(1), four equivalent K(2), and one P(1) atom to form edge-sharing SK5P octahedra. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent K(1), four equivalent K(2), and one P(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent K(1), three equivalent K(2), and one P(1) atom. is represented by the CIF file [CIF]
data_K3PS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.034
_cell_length_b   9.148
_cell_length_c   10.525
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   869.710
_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  0.644  0.420  0.250  1.0
  K  K1  1  0.856  0.920  0.750  1.0
  K  K2  1  0.144  0.080  0.250  1.0
  K  K3  1  0.356  0.580  0.750  1.0
  K  K4  1  0.447  0.798  0.042  1.0
  K  K5  1  0.053  0.298  0.958  1.0
  K  K6  1  0.947  0.702  0.458  1.0
  K  K7  1  0.553  0.202  0.542  1.0
  K  K8  1  0.553  0.202  0.958  1.0
  K  K9  1  0.947  0.702  0.042  1.0
  K  K10  1  0.053  0.298  0.542  1.0
  K  K11  1  0.447  0.798  0.458  1.0
  P  P12  1  0.721  0.980  0.250  1.0
  P  P13  1  0.779  0.480  0.750  1.0
  P  P14  1  0.221  0.520  0.250  1.0
  P  P15  1  0.279  0.020  0.750  1.0
  S  S16  1  0.695  0.758  0.250  1.0
  S  S17  1  0.805  0.258  0.750  1.0
  S  S18  1  0.195  0.742  0.250  1.0
  S  S19  1  0.305  0.242  0.750  1.0
  S  S20  1  0.516  0.079  0.250  1.0
  S  S21  1  0.984  0.579  0.750  1.0
  S  S22  1  0.016  0.421  0.250  1.0
  S  S23  1  0.484  0.921  0.750  1.0
  S  S24  1  0.833  0.039  0.090  1.0
  S  S25  1  0.667  0.539  0.910  1.0
  S  S26  1  0.333  0.461  0.410  1.0
  S  S27  1  0.167  0.961  0.590  1.0
  S  S28  1  0.167  0.961  0.910  1.0
  S  S29  1  0.333  0.461  0.090  1.0
  S  S30  1  0.667  0.539  0.590  1.0
  S  S31  1  0.833  0.039  0.410  1.0
[/CIF]
.