The structure described by Cs2PtS6(O3F)6 crystallizes in the trigonal P321 space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent F(1) atoms. Pt(1) is bonded to six equivalent O(2) atoms to form distorted PtO6 pentagonal pyramids that share corners with six equivalent S(1)O3F tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form SO3F tetrahedra that share  a cornercorner with one Pt(1)O6 pentagonal pyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Pt(1) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cs(1) and one S(1) atom. F(1) is bonded in a single-bond geometry to one Cs(1) and one S(1) atom. is represented by the CIF file [CIF]
data_Cs2PtS6(O3F)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.367
_cell_length_b   9.367
_cell_length_c   7.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   601.565
_cell_formula_units_Z   1
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  0.333  0.667  0.337  1.0
  Cs  Cs1  1  0.667  0.333  0.663  1.0
  Pt  Pt2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.853  0.198  0.225  1.0
  S  S4  1  0.198  0.853  0.775  1.0
  S  S5  1  0.802  0.655  0.225  1.0
  S  S6  1  0.147  0.345  0.775  1.0
  S  S7  1  0.345  0.147  0.225  1.0
  S  S8  1  0.655  0.802  0.775  1.0
  O  O9  1  0.669  0.661  0.737  1.0
  O  O10  1  0.953  0.814  0.167  1.0
  O  O11  1  0.859  0.576  0.340  1.0
  O  O12  1  0.047  0.861  0.833  1.0
  O  O13  1  0.283  0.424  0.660  1.0
  O  O14  1  0.717  0.141  0.340  1.0
  O  O15  1  0.139  0.186  0.833  1.0
  O  O16  1  0.992  0.331  0.737  1.0
  O  O17  1  0.186  0.139  0.167  1.0
  O  O18  1  0.331  0.992  0.263  1.0
  O  O19  1  0.576  0.859  0.660  1.0
  O  O20  1  0.424  0.283  0.340  1.0
  O  O21  1  0.861  0.047  0.167  1.0
  O  O22  1  0.339  0.008  0.737  1.0
  O  O23  1  0.814  0.953  0.833  1.0
  O  O24  1  0.008  0.339  0.263  1.0
  O  O25  1  0.141  0.717  0.660  1.0
  O  O26  1  0.661  0.669  0.263  1.0
  F  F27  1  0.453  0.210  0.055  1.0
  F  F28  1  0.547  0.757  0.945  1.0
  F  F29  1  0.790  0.243  0.055  1.0
  F  F30  1  0.243  0.790  0.945  1.0
  F  F31  1  0.757  0.547  0.055  1.0
  F  F32  1  0.210  0.453  0.945  1.0
[/CIF]
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The structure described by Cs2PtS6(O3F)6 crystallizes in the trigonal P321 space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent F(1) atoms. Pt(1) is bonded to six equivalent O(2) atoms to form distorted PtO6 pentagonal pyramids that share corners with six equivalent S(1)O3F tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form SO3F tetrahedra that share  a cornercorner with one Pt(1)O6 pentagonal pyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Pt(1) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cs(1) and one S(1) atom. F(1) is bonded in a single-bond geometry to one Cs(1) and one S(1) atom. is represented by the CIF file [CIF]
data_Cs2PtS6(O3F)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.367
_cell_length_b   9.367
_cell_length_c   7.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   601.565
_cell_formula_units_Z   1
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  0.333  0.667  0.337  1.0
  Cs  Cs1  1  0.667  0.333  0.663  1.0
  Pt  Pt2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.853  0.198  0.225  1.0
  S  S4  1  0.198  0.853  0.775  1.0
  S  S5  1  0.802  0.655  0.225  1.0
  S  S6  1  0.147  0.345  0.775  1.0
  S  S7  1  0.345  0.147  0.225  1.0
  S  S8  1  0.655  0.802  0.775  1.0
  O  O9  1  0.669  0.661  0.737  1.0
  O  O10  1  0.953  0.814  0.167  1.0
  O  O11  1  0.859  0.576  0.340  1.0
  O  O12  1  0.047  0.861  0.833  1.0
  O  O13  1  0.283  0.424  0.660  1.0
  O  O14  1  0.717  0.141  0.340  1.0
  O  O15  1  0.139  0.186  0.833  1.0
  O  O16  1  0.992  0.331  0.737  1.0
  O  O17  1  0.186  0.139  0.167  1.0
  O  O18  1  0.331  0.992  0.263  1.0
  O  O19  1  0.576  0.859  0.660  1.0
  O  O20  1  0.424  0.283  0.340  1.0
  O  O21  1  0.861  0.047  0.167  1.0
  O  O22  1  0.339  0.008  0.737  1.0
  O  O23  1  0.814  0.953  0.833  1.0
  O  O24  1  0.008  0.339  0.263  1.0
  O  O25  1  0.141  0.717  0.660  1.0
  O  O26  1  0.661  0.669  0.263  1.0
  F  F27  1  0.453  0.210  0.055  1.0
  F  F28  1  0.547  0.757  0.945  1.0
  F  F29  1  0.790  0.243  0.055  1.0
  F  F30  1  0.243  0.790  0.945  1.0
  F  F31  1  0.757  0.547  0.055  1.0
  F  F32  1  0.210  0.453  0.945  1.0
[/CIF]
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