The material described by Cs2Pt3US6 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 Pt sites. In the first Pt site, Pt(1) is bonded in a distorted square co-planar geometry to two equivalent S(1) and two equivalent S(2) atoms. In the second Pt site, Pt(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 to one Cs(1), two equivalent Cs(2), one U(1), one Pt(1), and one Pt(2) atom to form a mixture of distorted face, corner, and edge-sharing SCs3UPt2 octahedra. The corner-sharing octahedral tilt angles range from 10-101°. In the second S site, S(2) is bonded to one Cs(2), two equivalent Cs(1), one U(1), and two equivalent Pt(1) atoms to form a mixture of distorted face, corner, and edge-sharing SCs3UPt2 octahedra. The corner-sharing octahedral tilt angles range from 10-82°. is represented by the CIF file [CIF]
data_Cs2U(PtS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.484
_cell_length_b   9.883
_cell_length_c   9.101
_cell_angle_alpha   74.325
_cell_angle_beta   55.948
_cell_angle_gamma   49.727
_symmetry_Int_Tables_number   1
_cell_volume   646.050
_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  0.308  0.692  0.308  1.0
  Cs  Cs3  1  0.692  0.308  0.692  1.0
  U  U4  1  0.833  0.833  0.167  1.0
  U  U5  1  0.167  0.167  0.833  1.0
  Pt  Pt6  1  0.503  0.176  0.497  1.0
  Pt  Pt7  1  0.824  0.497  0.176  1.0
  Pt  Pt8  1  0.497  0.824  0.503  1.0
  Pt  Pt9  1  0.176  0.503  0.824  1.0
  Pt  Pt10  1  0.828  0.172  0.172  1.0
  Pt  Pt11  1  0.172  0.828  0.828  1.0
  S  S12  1  0.811  0.989  0.398  1.0
  S  S13  1  0.803  0.398  0.989  1.0
  S  S14  1  0.398  0.803  0.811  1.0
  S  S15  1  0.989  0.811  0.803  1.0
  S  S16  1  0.189  0.011  0.602  1.0
  S  S17  1  0.197  0.602  0.011  1.0
  S  S18  1  0.602  0.197  0.189  1.0
  S  S19  1  0.011  0.189  0.197  1.0
  S  S20  1  0.804  0.597  0.403  1.0
  S  S21  1  0.196  0.403  0.597  1.0
  S  S22  1  0.403  0.196  0.804  1.0
  S  S23  1  0.597  0.804  0.196  1.0
[/CIF]
.
The material described by Cs2Pt3US6 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 Pt sites. In the first Pt site, Pt(1) is bonded in a distorted square co-planar geometry to two equivalent S(1) and two equivalent S(2) atoms. In the second Pt site, Pt(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 to one Cs(1), two equivalent Cs(2), one U(1), one Pt(1), and one Pt(2) atom to form a mixture of distorted face, corner, and edge-sharing SCs3UPt2 octahedra. The corner-sharing octahedral tilt angles range from 10-101°. In the second S site, S(2) is bonded to one Cs(2), two equivalent Cs(1), one U(1), and two equivalent Pt(1) atoms to form a mixture of distorted face, corner, and edge-sharing SCs3UPt2 octahedra. The corner-sharing octahedral tilt angles range from 10-82°. is represented by the CIF file [CIF]
data_Cs2U(PtS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.484
_cell_length_b   9.883
_cell_length_c   9.101
_cell_angle_alpha   74.325
_cell_angle_beta   55.948
_cell_angle_gamma   49.727
_symmetry_Int_Tables_number   1
_cell_volume   646.050
_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  0.308  0.692  0.308  1.0
  Cs  Cs3  1  0.692  0.308  0.692  1.0
  U  U4  1  0.833  0.833  0.167  1.0
  U  U5  1  0.167  0.167  0.833  1.0
  Pt  Pt6  1  0.503  0.176  0.497  1.0
  Pt  Pt7  1  0.824  0.497  0.176  1.0
  Pt  Pt8  1  0.497  0.824  0.503  1.0
  Pt  Pt9  1  0.176  0.503  0.824  1.0
  Pt  Pt10  1  0.828  0.172  0.172  1.0
  Pt  Pt11  1  0.172  0.828  0.828  1.0
  S  S12  1  0.811  0.989  0.398  1.0
  S  S13  1  0.803  0.398  0.989  1.0
  S  S14  1  0.398  0.803  0.811  1.0
  S  S15  1  0.989  0.811  0.803  1.0
  S  S16  1  0.189  0.011  0.602  1.0
  S  S17  1  0.197  0.602  0.011  1.0
  S  S18  1  0.602  0.197  0.189  1.0
  S  S19  1  0.011  0.189  0.197  1.0
  S  S20  1  0.804  0.597  0.403  1.0
  S  S21  1  0.196  0.403  0.597  1.0
  S  S22  1  0.403  0.196  0.804  1.0
  S  S23  1  0.597  0.804  0.196  1.0
[/CIF]
.