The material described by Cs2Pt3USe6 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 Se(1) and four equivalent Se(2) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent Se(2) and eight equivalent Se(1) atoms. U(1) is bonded in a 6-coordinate geometry to two equivalent Se(2) and four equivalent Se(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 Se(1) and two equivalent Se(2) atoms. In the second Pt site, Pt(2) is bonded in a square co-planar geometry to four equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Cs(1), two equivalent Cs(2), one U(1), one Pt(1), and one Pt(2) atom. In the second Se site, Se(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 SeCs3UPt2 octahedra. The corner-sharing octahedral tilt angles range from 28-82°. is represented by the CIF file [CIF]
data_Cs2U(PtSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.024
_cell_length_b   10.269
_cell_length_c   9.560
_cell_angle_alpha   74.565
_cell_angle_beta   55.405
_cell_angle_gamma   50.030
_symmetry_Int_Tables_number   1
_cell_volume   735.507
_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  0.313  0.687  0.313  1.0
  Cs  Cs3  1  0.687  0.313  0.687  1.0
  U  U4  1  0.832  0.832  0.168  1.0
  U  U5  1  0.168  0.168  0.832  1.0
  Pt  Pt6  1  0.505  0.172  0.495  1.0
  Pt  Pt7  1  0.828  0.495  0.172  1.0
  Pt  Pt8  1  0.495  0.828  0.505  1.0
  Pt  Pt9  1  0.172  0.505  0.828  1.0
  Pt  Pt10  1  0.832  0.168  0.168  1.0
  Pt  Pt11  1  0.168  0.832  0.832  1.0
  Se  Se12  1  0.816  0.983  0.397  1.0
  Se  Se13  1  0.804  0.397  0.983  1.0
  Se  Se14  1  0.397  0.804  0.816  1.0
  Se  Se15  1  0.983  0.816  0.804  1.0
  Se  Se16  1  0.184  0.017  0.603  1.0
  Se  Se17  1  0.196  0.603  0.017  1.0
  Se  Se18  1  0.603  0.196  0.184  1.0
  Se  Se19  1  0.017  0.184  0.196  1.0
  Se  Se20  1  0.806  0.596  0.404  1.0
  Se  Se21  1  0.194  0.404  0.596  1.0
  Se  Se22  1  0.404  0.194  0.806  1.0
  Se  Se23  1  0.596  0.806  0.194  1.0
[/CIF]
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The material described by Cs2Pt3USe6 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 Se(1) and four equivalent Se(2) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent Se(2) and eight equivalent Se(1) atoms. U(1) is bonded in a 6-coordinate geometry to two equivalent Se(2) and four equivalent Se(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 Se(1) and two equivalent Se(2) atoms. In the second Pt site, Pt(2) is bonded in a square co-planar geometry to four equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Cs(1), two equivalent Cs(2), one U(1), one Pt(1), and one Pt(2) atom. In the second Se site, Se(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 SeCs3UPt2 octahedra. The corner-sharing octahedral tilt angles range from 28-82°. is represented by the CIF file [CIF]
data_Cs2U(PtSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.024
_cell_length_b   10.269
_cell_length_c   9.560
_cell_angle_alpha   74.565
_cell_angle_beta   55.405
_cell_angle_gamma   50.030
_symmetry_Int_Tables_number   1
_cell_volume   735.507
_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  0.313  0.687  0.313  1.0
  Cs  Cs3  1  0.687  0.313  0.687  1.0
  U  U4  1  0.832  0.832  0.168  1.0
  U  U5  1  0.168  0.168  0.832  1.0
  Pt  Pt6  1  0.505  0.172  0.495  1.0
  Pt  Pt7  1  0.828  0.495  0.172  1.0
  Pt  Pt8  1  0.495  0.828  0.505  1.0
  Pt  Pt9  1  0.172  0.505  0.828  1.0
  Pt  Pt10  1  0.832  0.168  0.168  1.0
  Pt  Pt11  1  0.168  0.832  0.832  1.0
  Se  Se12  1  0.816  0.983  0.397  1.0
  Se  Se13  1  0.804  0.397  0.983  1.0
  Se  Se14  1  0.397  0.804  0.816  1.0
  Se  Se15  1  0.983  0.816  0.804  1.0
  Se  Se16  1  0.184  0.017  0.603  1.0
  Se  Se17  1  0.196  0.603  0.017  1.0
  Se  Se18  1  0.603  0.196  0.184  1.0
  Se  Se19  1  0.017  0.184  0.196  1.0
  Se  Se20  1  0.806  0.596  0.404  1.0
  Se  Se21  1  0.194  0.404  0.596  1.0
  Se  Se22  1  0.404  0.194  0.806  1.0
  Se  Se23  1  0.596  0.806  0.194  1.0
[/CIF]
.