The crystal structure described by KAg5S3 crystallizes in the hexagonal P-62c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form face-sharing KS6 octahedra. In the second K site, K(2) is bonded to six equivalent S(3) atoms to form distorted face-sharing KS6 octahedra. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. In the second Ag site, Ag(2) is bonded in a linear geometry to two equivalent S(2) atoms. In the third Ag site, Ag(3) is bonded in a linear geometry to one S(1) and one S(3) atom. In the fourth Ag site, Ag(4) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent K(1), one Ag(1), one Ag(4), and two equivalent Ag(3) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent K(1), one Ag(1), one Ag(4), and two equivalent Ag(2) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent K(2), one Ag(1), one Ag(4), and two equivalent Ag(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAg5S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.325
_cell_length_b   13.325
_cell_length_c   7.931
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1219.595
_cell_formula_units_Z   6
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  0.333  0.667  0.501  1.0
  K  K1  1  0.333  0.667  0.999  1.0
  K  K2  1  0.667  0.333  0.499  1.0
  K  K3  1  0.667  0.333  0.001  1.0
  K  K4  1  0.000  0.000  0.500  1.0
  K  K5  1  0.000  0.000  0.000  1.0
  Ag  Ag6  1  0.995  0.701  0.750  1.0
  Ag  Ag7  1  0.707  0.005  0.750  1.0
  Ag  Ag8  1  0.299  0.293  0.750  1.0
  Ag  Ag9  1  0.293  0.299  0.250  1.0
  Ag  Ag10  1  0.005  0.707  0.250  1.0
  Ag  Ag11  1  0.701  0.995  0.250  1.0
  Ag  Ag12  1  0.465  0.465  0.500  1.0
  Ag  Ag13  1  1.000  0.535  1.000  1.0
  Ag  Ag14  1  0.535  1.000  0.000  1.0
  Ag  Ag15  1  0.535  1.000  0.500  1.0
  Ag  Ag16  1  1.000  0.535  0.500  1.0
  Ag  Ag17  1  0.465  0.465  1.000  1.0
  Ag  Ag18  1  0.184  0.850  0.501  1.0
  Ag  Ag19  1  0.150  0.334  0.501  1.0
  Ag  Ag20  1  0.666  0.816  0.501  1.0
  Ag  Ag21  1  0.816  0.666  0.499  1.0
  Ag  Ag22  1  0.666  0.816  0.999  1.0
  Ag  Ag23  1  0.184  0.850  0.999  1.0
  Ag  Ag24  1  0.150  0.334  0.999  1.0
  Ag  Ag25  1  0.850  0.184  0.001  1.0
  Ag  Ag26  1  0.334  0.150  0.001  1.0
  Ag  Ag27  1  0.334  0.150  0.499  1.0
  Ag  Ag28  1  0.850  0.184  0.499  1.0
  Ag  Ag29  1  0.816  0.666  0.001  1.0
  Ag  Ag30  1  0.633  0.634  0.250  1.0
  Ag  Ag31  1  0.366  0.999  0.250  1.0
  Ag  Ag32  1  0.001  0.367  0.250  1.0
  Ag  Ag33  1  0.367  0.001  0.750  1.0
  Ag  Ag34  1  0.999  0.366  0.750  1.0
  Ag  Ag35  1  0.634  0.633  0.750  1.0
  S  S36  1  0.552  0.778  0.250  1.0
  S  S37  1  0.222  0.774  0.250  1.0
  S  S38  1  0.226  0.448  0.250  1.0
  S  S39  1  0.448  0.226  0.750  1.0
  S  S40  1  0.774  0.222  0.750  1.0
  S  S41  1  0.778  0.552  0.750  1.0
  S  S42  1  0.533  0.417  0.250  1.0
  S  S43  1  0.583  0.117  0.250  1.0
  S  S44  1  0.883  0.467  0.250  1.0
  S  S45  1  0.467  0.883  0.750  1.0
  S  S46  1  0.117  0.583  0.750  1.0
  S  S47  1  0.417  0.533  0.750  1.0
  S  S48  1  0.866  0.783  0.250  1.0
  S  S49  1  0.217  0.083  0.250  1.0
  S  S50  1  0.917  0.134  0.250  1.0
  S  S51  1  0.134  0.917  0.750  1.0
  S  S52  1  0.083  0.217  0.750  1.0
  S  S53  1  0.783  0.866  0.750  1.0
[/CIF]
.
The crystal structure described by KAg5S3 crystallizes in the hexagonal P-62c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form face-sharing KS6 octahedra. In the second K site, K(2) is bonded to six equivalent S(3) atoms to form distorted face-sharing KS6 octahedra. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. In the second Ag site, Ag(2) is bonded in a linear geometry to two equivalent S(2) atoms. In the third Ag site, Ag(3) is bonded in a linear geometry to one S(1) and one S(3) atom. In the fourth Ag site, Ag(4) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent K(1), one Ag(1), one Ag(4), and two equivalent Ag(3) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent K(1), one Ag(1), one Ag(4), and two equivalent Ag(2) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent K(2), one Ag(1), one Ag(4), and two equivalent Ag(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAg5S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.325
_cell_length_b   13.325
_cell_length_c   7.931
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1219.595
_cell_formula_units_Z   6
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  0.333  0.667  0.501  1.0
  K  K1  1  0.333  0.667  0.999  1.0
  K  K2  1  0.667  0.333  0.499  1.0
  K  K3  1  0.667  0.333  0.001  1.0
  K  K4  1  0.000  0.000  0.500  1.0
  K  K5  1  0.000  0.000  0.000  1.0
  Ag  Ag6  1  0.995  0.701  0.750  1.0
  Ag  Ag7  1  0.707  0.005  0.750  1.0
  Ag  Ag8  1  0.299  0.293  0.750  1.0
  Ag  Ag9  1  0.293  0.299  0.250  1.0
  Ag  Ag10  1  0.005  0.707  0.250  1.0
  Ag  Ag11  1  0.701  0.995  0.250  1.0
  Ag  Ag12  1  0.465  0.465  0.500  1.0
  Ag  Ag13  1  1.000  0.535  1.000  1.0
  Ag  Ag14  1  0.535  1.000  0.000  1.0
  Ag  Ag15  1  0.535  1.000  0.500  1.0
  Ag  Ag16  1  1.000  0.535  0.500  1.0
  Ag  Ag17  1  0.465  0.465  1.000  1.0
  Ag  Ag18  1  0.184  0.850  0.501  1.0
  Ag  Ag19  1  0.150  0.334  0.501  1.0
  Ag  Ag20  1  0.666  0.816  0.501  1.0
  Ag  Ag21  1  0.816  0.666  0.499  1.0
  Ag  Ag22  1  0.666  0.816  0.999  1.0
  Ag  Ag23  1  0.184  0.850  0.999  1.0
  Ag  Ag24  1  0.150  0.334  0.999  1.0
  Ag  Ag25  1  0.850  0.184  0.001  1.0
  Ag  Ag26  1  0.334  0.150  0.001  1.0
  Ag  Ag27  1  0.334  0.150  0.499  1.0
  Ag  Ag28  1  0.850  0.184  0.499  1.0
  Ag  Ag29  1  0.816  0.666  0.001  1.0
  Ag  Ag30  1  0.633  0.634  0.250  1.0
  Ag  Ag31  1  0.366  0.999  0.250  1.0
  Ag  Ag32  1  0.001  0.367  0.250  1.0
  Ag  Ag33  1  0.367  0.001  0.750  1.0
  Ag  Ag34  1  0.999  0.366  0.750  1.0
  Ag  Ag35  1  0.634  0.633  0.750  1.0
  S  S36  1  0.552  0.778  0.250  1.0
  S  S37  1  0.222  0.774  0.250  1.0
  S  S38  1  0.226  0.448  0.250  1.0
  S  S39  1  0.448  0.226  0.750  1.0
  S  S40  1  0.774  0.222  0.750  1.0
  S  S41  1  0.778  0.552  0.750  1.0
  S  S42  1  0.533  0.417  0.250  1.0
  S  S43  1  0.583  0.117  0.250  1.0
  S  S44  1  0.883  0.467  0.250  1.0
  S  S45  1  0.467  0.883  0.750  1.0
  S  S46  1  0.117  0.583  0.750  1.0
  S  S47  1  0.417  0.533  0.750  1.0
  S  S48  1  0.866  0.783  0.250  1.0
  S  S49  1  0.217  0.083  0.250  1.0
  S  S50  1  0.917  0.134  0.250  1.0
  S  S51  1  0.134  0.917  0.750  1.0
  S  S52  1  0.083  0.217  0.750  1.0
  S  S53  1  0.783  0.866  0.750  1.0
[/CIF]
.