The compound described by Cs2U(PdS2)3 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Cs site, Cs(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 6-coordinate geometry to one Cs(1), two equivalent Cs(2), one U(1), one Pd(1), and one Pd(2) atom. In the second S site, S(2) is bonded to one Cs(2), two equivalent Cs(1), one U(1), and two equivalent Pd(1) atoms to form a mixture of distorted face, corner, and edge-sharing SCs3UPd2 octahedra. The corner-sharing octahedral tilt angles range from 26-85°. is represented by the CIF card [CIF]
data_Cs2U(PdS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.616
_cell_length_b   9.830
_cell_length_c   9.322
_cell_angle_alpha   74.625
_cell_angle_beta   54.682
_cell_angle_gamma   50.694
_symmetry_Int_Tables_number   1
_cell_volume   663.370
_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
  Cs  Cs0  1  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Cs  Cs2  1  0.299  0.701  0.299  1.0
  Cs  Cs3  1  0.701  0.299  0.701  1.0
  U  U4  1  0.833  0.833  0.167  1.0
  U  U5  1  0.167  0.167  0.833  1.0
  Pd  Pd6  1  0.503  0.178  0.497  1.0
  Pd  Pd7  1  0.822  0.497  0.178  1.0
  Pd  Pd8  1  0.497  0.822  0.503  1.0
  Pd  Pd9  1  0.178  0.503  0.822  1.0
  Pd  Pd10  1  0.826  0.174  0.174  1.0
  Pd  Pd11  1  0.174  0.826  0.826  1.0
  S  S12  1  0.813  0.983  0.391  1.0
  S  S13  1  0.814  0.391  0.983  1.0
  S  S14  1  0.391  0.814  0.813  1.0
  S  S15  1  0.983  0.813  0.814  1.0
  S  S16  1  0.187  0.017  0.609  1.0
  S  S17  1  0.186  0.609  0.017  1.0
  S  S18  1  0.609  0.186  0.187  1.0
  S  S19  1  0.017  0.187  0.186  1.0
  S  S20  1  0.805  0.604  0.396  1.0
  S  S21  1  0.195  0.396  0.604  1.0
  S  S22  1  0.396  0.195  0.805  1.0
  S  S23  1  0.604  0.805  0.195  1.0
[/CIF]
.
The compound described by Cs2U(PdS2)3 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Cs site, Cs(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 6-coordinate geometry to one Cs(1), two equivalent Cs(2), one U(1), one Pd(1), and one Pd(2) atom. In the second S site, S(2) is bonded to one Cs(2), two equivalent Cs(1), one U(1), and two equivalent Pd(1) atoms to form a mixture of distorted face, corner, and edge-sharing SCs3UPd2 octahedra. The corner-sharing octahedral tilt angles range from 26-85°. is represented by the CIF card [CIF]
data_Cs2U(PdS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.616
_cell_length_b   9.830
_cell_length_c   9.322
_cell_angle_alpha   74.625
_cell_angle_beta   54.682
_cell_angle_gamma   50.694
_symmetry_Int_Tables_number   1
_cell_volume   663.370
_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
  Cs  Cs0  1  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Cs  Cs2  1  0.299  0.701  0.299  1.0
  Cs  Cs3  1  0.701  0.299  0.701  1.0
  U  U4  1  0.833  0.833  0.167  1.0
  U  U5  1  0.167  0.167  0.833  1.0
  Pd  Pd6  1  0.503  0.178  0.497  1.0
  Pd  Pd7  1  0.822  0.497  0.178  1.0
  Pd  Pd8  1  0.497  0.822  0.503  1.0
  Pd  Pd9  1  0.178  0.503  0.822  1.0
  Pd  Pd10  1  0.826  0.174  0.174  1.0
  Pd  Pd11  1  0.174  0.826  0.826  1.0
  S  S12  1  0.813  0.983  0.391  1.0
  S  S13  1  0.814  0.391  0.983  1.0
  S  S14  1  0.391  0.814  0.813  1.0
  S  S15  1  0.983  0.813  0.814  1.0
  S  S16  1  0.187  0.017  0.609  1.0
  S  S17  1  0.186  0.609  0.017  1.0
  S  S18  1  0.609  0.186  0.187  1.0
  S  S19  1  0.017  0.187  0.186  1.0
  S  S20  1  0.805  0.604  0.396  1.0
  S  S21  1  0.195  0.396  0.604  1.0
  S  S22  1  0.396  0.195  0.805  1.0
  S  S23  1  0.604  0.805  0.195  1.0
[/CIF]
.