The structure described by K2U(PdS2)3 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent S(2) and eight equivalent S(1) atoms. U(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to two equivalent S(1) and two equivalent S(2) atoms. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to four equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one U(1), one Pd(1), and one Pd(2) atom. In the second S site, S(2) is bonded to one K(2), two equivalent K(1), one U(1), and two equivalent Pd(1) atoms to form a mixture of distorted corner, face, and edge-sharing SK3UPd2 octahedra. The corner-sharing octahedral tilt angles range from 27-75°. is represented by the CIF card [CIF]
data_K2U(PdS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.049
_cell_length_b   9.695
_cell_length_c   8.697
_cell_angle_alpha   73.624
_cell_angle_beta   57.334
_cell_angle_gamma   49.042
_symmetry_Int_Tables_number   1
_cell_volume   588.412
_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  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  K  K2  1  0.295  0.705  0.295  1.0
  K  K3  1  0.705  0.295  0.705  1.0
  U  U4  1  0.831  0.831  0.169  1.0
  U  U5  1  0.169  0.169  0.831  1.0
  Pd  Pd6  1  0.504  0.179  0.496  1.0
  Pd  Pd7  1  0.821  0.496  0.179  1.0
  Pd  Pd8  1  0.496  0.821  0.504  1.0
  Pd  Pd9  1  0.179  0.504  0.821  1.0
  Pd  Pd10  1  0.827  0.173  0.173  1.0
  Pd  Pd11  1  0.173  0.827  0.827  1.0
  S  S12  1  0.828  0.964  0.399  1.0
  S  S13  1  0.809  0.399  0.964  1.0
  S  S14  1  0.399  0.809  0.828  1.0
  S  S15  1  0.964  0.828  0.809  1.0
  S  S16  1  0.172  0.036  0.601  1.0
  S  S17  1  0.191  0.601  0.036  1.0
  S  S18  1  0.601  0.191  0.172  1.0
  S  S19  1  0.036  0.172  0.191  1.0
  S  S20  1  0.819  0.592  0.408  1.0
  S  S21  1  0.181  0.408  0.592  1.0
  S  S22  1  0.408  0.181  0.819  1.0
  S  S23  1  0.592  0.819  0.181  1.0
[/CIF]
.
The structure described by K2U(PdS2)3 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent S(2) and eight equivalent S(1) atoms. U(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to two equivalent S(1) and two equivalent S(2) atoms. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to four equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one U(1), one Pd(1), and one Pd(2) atom. In the second S site, S(2) is bonded to one K(2), two equivalent K(1), one U(1), and two equivalent Pd(1) atoms to form a mixture of distorted corner, face, and edge-sharing SK3UPd2 octahedra. The corner-sharing octahedral tilt angles range from 27-75°. is represented by the CIF card [CIF]
data_K2U(PdS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.049
_cell_length_b   9.695
_cell_length_c   8.697
_cell_angle_alpha   73.624
_cell_angle_beta   57.334
_cell_angle_gamma   49.042
_symmetry_Int_Tables_number   1
_cell_volume   588.412
_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  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  K  K2  1  0.295  0.705  0.295  1.0
  K  K3  1  0.705  0.295  0.705  1.0
  U  U4  1  0.831  0.831  0.169  1.0
  U  U5  1  0.169  0.169  0.831  1.0
  Pd  Pd6  1  0.504  0.179  0.496  1.0
  Pd  Pd7  1  0.821  0.496  0.179  1.0
  Pd  Pd8  1  0.496  0.821  0.504  1.0
  Pd  Pd9  1  0.179  0.504  0.821  1.0
  Pd  Pd10  1  0.827  0.173  0.173  1.0
  Pd  Pd11  1  0.173  0.827  0.827  1.0
  S  S12  1  0.828  0.964  0.399  1.0
  S  S13  1  0.809  0.399  0.964  1.0
  S  S14  1  0.399  0.809  0.828  1.0
  S  S15  1  0.964  0.828  0.809  1.0
  S  S16  1  0.172  0.036  0.601  1.0
  S  S17  1  0.191  0.601  0.036  1.0
  S  S18  1  0.601  0.191  0.172  1.0
  S  S19  1  0.036  0.172  0.191  1.0
  S  S20  1  0.819  0.592  0.408  1.0
  S  S21  1  0.181  0.408  0.592  1.0
  S  S22  1  0.408  0.181  0.819  1.0
  S  S23  1  0.592  0.819  0.181  1.0
[/CIF]
.