The crystal structure described by K2AuPS4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one S(1), two equivalent S(3), and three equivalent S(2) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one S(2), four equivalent S(1), and four equivalent S(3) atoms. Au(1) is bonded in a linear geometry to two 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 in a 6-coordinate geometry to one K(1), four equivalent K(2), and one P(1) atom. In the second S site, S(2) is bonded to one K(2), three equivalent K(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing SK4P trigonal bipyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Au(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2PAuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.883
_cell_length_b   6.743
_cell_length_c   9.584
_cell_angle_alpha   86.817
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   444.126
_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
  K  K0  1  0.250  0.480  0.163  1.0
  K  K1  1  0.750  0.520  0.837  1.0
  K  K2  1  0.250  0.797  0.539  1.0
  K  K3  1  0.750  0.203  0.461  1.0
  P  P4  1  0.750  0.732  0.280  1.0
  P  P5  1  0.250  0.268  0.720  1.0
  Au  Au6  1  0.000  0.000  0.000  1.0
  Au  Au7  1  0.500  0.000  0.000  1.0
  S  S8  1  0.250  0.304  0.509  1.0
  S  S9  1  0.750  0.696  0.491  1.0
  S  S10  1  0.250  0.521  0.824  1.0
  S  S11  1  0.750  0.479  0.176  1.0
  S  S12  1  0.501  0.098  0.764  1.0
  S  S13  1  0.001  0.902  0.236  1.0
  S  S14  1  0.999  0.098  0.764  1.0
  S  S15  1  0.499  0.902  0.236  1.0
[/CIF]
.
The crystal structure described by K2AuPS4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one S(1), two equivalent S(3), and three equivalent S(2) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one S(2), four equivalent S(1), and four equivalent S(3) atoms. Au(1) is bonded in a linear geometry to two 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 in a 6-coordinate geometry to one K(1), four equivalent K(2), and one P(1) atom. In the second S site, S(2) is bonded to one K(2), three equivalent K(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing SK4P trigonal bipyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Au(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2PAuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.883
_cell_length_b   6.743
_cell_length_c   9.584
_cell_angle_alpha   86.817
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   444.126
_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
  K  K0  1  0.250  0.480  0.163  1.0
  K  K1  1  0.750  0.520  0.837  1.0
  K  K2  1  0.250  0.797  0.539  1.0
  K  K3  1  0.750  0.203  0.461  1.0
  P  P4  1  0.750  0.732  0.280  1.0
  P  P5  1  0.250  0.268  0.720  1.0
  Au  Au6  1  0.000  0.000  0.000  1.0
  Au  Au7  1  0.500  0.000  0.000  1.0
  S  S8  1  0.250  0.304  0.509  1.0
  S  S9  1  0.750  0.696  0.491  1.0
  S  S10  1  0.250  0.521  0.824  1.0
  S  S11  1  0.750  0.479  0.176  1.0
  S  S12  1  0.501  0.098  0.764  1.0
  S  S13  1  0.001  0.902  0.236  1.0
  S  S14  1  0.999  0.098  0.764  1.0
  S  S15  1  0.499  0.902  0.236  1.0
[/CIF]
.