The crystal structure described by K2PdP2S6 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 Pd(1), one S(4), two equivalent S(1), and four equivalent S(2) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to two equivalent S(1), three equivalent S(4), and four equivalent S(2) atoms. Pd(1) is bonded in a distorted square co-planar geometry to two equivalent K(1), two equivalent S(1), and two equivalent S(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted tetrahedral geometry to one P(2), one S(4), and two equivalent S(1) atoms. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one S(3), and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(3) is bonded in a trigonal non-coplanar geometry to two equivalent Pd(1) and one P(2) atom. In the second S site, S(4) is bonded in a distorted single-bond geometry to one K(1), three equivalent K(2), and one P(1) atom. In the third S site, S(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Pd(1), and one P(1) atom. In the fourth S site, S(2) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(2), and one P(2) atom. is represented by the CIF file [CIF]
data_K2P2PdS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.214
_cell_length_b   10.269
_cell_length_c   15.947
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1181.306
_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  0.250  0.086  0.183  1.0
  K  K1  1  0.250  0.414  0.683  1.0
  K  K2  1  0.750  0.914  0.817  1.0
  K  K3  1  0.750  0.586  0.317  1.0
  K  K4  1  0.250  0.565  0.119  1.0
  K  K5  1  0.250  0.935  0.619  1.0
  K  K6  1  0.750  0.435  0.881  1.0
  K  K7  1  0.750  0.065  0.381  1.0
  P  P8  1  0.750  0.719  0.056  1.0
  P  P9  1  0.750  0.781  0.556  1.0
  P  P10  1  0.250  0.281  0.944  1.0
  P  P11  1  0.250  0.219  0.444  1.0
  P  P12  1  0.250  0.150  0.832  1.0
  P  P13  1  0.250  0.350  0.332  1.0
  P  P14  1  0.750  0.850  0.168  1.0
  P  P15  1  0.750  0.650  0.668  1.0
  Pd  Pd16  1  0.500  0.000  0.000  1.0
  Pd  Pd17  1  0.000  0.500  0.500  1.0
  Pd  Pd18  1  0.000  0.000  0.000  1.0
  Pd  Pd19  1  0.500  0.500  0.500  1.0
  S  S20  1  0.513  0.770  0.992  1.0
  S  S21  1  0.987  0.730  0.492  1.0
  S  S22  1  0.013  0.230  0.008  1.0
  S  S23  1  0.487  0.270  0.508  1.0
  S  S24  1  0.487  0.230  0.008  1.0
  S  S25  1  0.013  0.270  0.508  1.0
  S  S26  1  0.987  0.770  0.992  1.0
  S  S27  1  0.513  0.730  0.492  1.0
  S  S28  1  0.485  0.166  0.767  1.0
  S  S29  1  0.015  0.334  0.267  1.0
  S  S30  1  0.985  0.834  0.233  1.0
  S  S31  1  0.515  0.666  0.733  1.0
  S  S32  1  0.515  0.834  0.233  1.0
  S  S33  1  0.985  0.666  0.733  1.0
  S  S34  1  0.015  0.166  0.767  1.0
  S  S35  1  0.485  0.334  0.267  1.0
  S  S36  1  0.250  0.973  0.905  1.0
  S  S37  1  0.250  0.527  0.405  1.0
  S  S38  1  0.750  0.027  0.095  1.0
  S  S39  1  0.750  0.473  0.595  1.0
  S  S40  1  0.750  0.533  0.090  1.0
  S  S41  1  0.750  0.967  0.590  1.0
  S  S42  1  0.250  0.467  0.910  1.0
  S  S43  1  0.250  0.033  0.410  1.0
[/CIF]
.
The crystal structure described by K2PdP2S6 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 Pd(1), one S(4), two equivalent S(1), and four equivalent S(2) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to two equivalent S(1), three equivalent S(4), and four equivalent S(2) atoms. Pd(1) is bonded in a distorted square co-planar geometry to two equivalent K(1), two equivalent S(1), and two equivalent S(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted tetrahedral geometry to one P(2), one S(4), and two equivalent S(1) atoms. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one S(3), and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(3) is bonded in a trigonal non-coplanar geometry to two equivalent Pd(1) and one P(2) atom. In the second S site, S(4) is bonded in a distorted single-bond geometry to one K(1), three equivalent K(2), and one P(1) atom. In the third S site, S(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Pd(1), and one P(1) atom. In the fourth S site, S(2) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(2), and one P(2) atom. is represented by the CIF file [CIF]
data_K2P2PdS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.214
_cell_length_b   10.269
_cell_length_c   15.947
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1181.306
_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  0.250  0.086  0.183  1.0
  K  K1  1  0.250  0.414  0.683  1.0
  K  K2  1  0.750  0.914  0.817  1.0
  K  K3  1  0.750  0.586  0.317  1.0
  K  K4  1  0.250  0.565  0.119  1.0
  K  K5  1  0.250  0.935  0.619  1.0
  K  K6  1  0.750  0.435  0.881  1.0
  K  K7  1  0.750  0.065  0.381  1.0
  P  P8  1  0.750  0.719  0.056  1.0
  P  P9  1  0.750  0.781  0.556  1.0
  P  P10  1  0.250  0.281  0.944  1.0
  P  P11  1  0.250  0.219  0.444  1.0
  P  P12  1  0.250  0.150  0.832  1.0
  P  P13  1  0.250  0.350  0.332  1.0
  P  P14  1  0.750  0.850  0.168  1.0
  P  P15  1  0.750  0.650  0.668  1.0
  Pd  Pd16  1  0.500  0.000  0.000  1.0
  Pd  Pd17  1  0.000  0.500  0.500  1.0
  Pd  Pd18  1  0.000  0.000  0.000  1.0
  Pd  Pd19  1  0.500  0.500  0.500  1.0
  S  S20  1  0.513  0.770  0.992  1.0
  S  S21  1  0.987  0.730  0.492  1.0
  S  S22  1  0.013  0.230  0.008  1.0
  S  S23  1  0.487  0.270  0.508  1.0
  S  S24  1  0.487  0.230  0.008  1.0
  S  S25  1  0.013  0.270  0.508  1.0
  S  S26  1  0.987  0.770  0.992  1.0
  S  S27  1  0.513  0.730  0.492  1.0
  S  S28  1  0.485  0.166  0.767  1.0
  S  S29  1  0.015  0.334  0.267  1.0
  S  S30  1  0.985  0.834  0.233  1.0
  S  S31  1  0.515  0.666  0.733  1.0
  S  S32  1  0.515  0.834  0.233  1.0
  S  S33  1  0.985  0.666  0.733  1.0
  S  S34  1  0.015  0.166  0.767  1.0
  S  S35  1  0.485  0.334  0.267  1.0
  S  S36  1  0.250  0.973  0.905  1.0
  S  S37  1  0.250  0.527  0.405  1.0
  S  S38  1  0.750  0.027  0.095  1.0
  S  S39  1  0.750  0.473  0.595  1.0
  S  S40  1  0.750  0.533  0.090  1.0
  S  S41  1  0.750  0.967  0.590  1.0
  S  S42  1  0.250  0.467  0.910  1.0
  S  S43  1  0.250  0.033  0.410  1.0
[/CIF]
.