The structure described by CsS2(O3F)2 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 12-coordinate geometry to two equivalent O(3), four equivalent O(1), four equivalent O(2), and two equivalent F(1) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one F(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(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 Crystallographic Information File (CIF) [CIF]
data_CsS2(O3F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.996
_cell_length_b   7.996
_cell_length_c   8.674
_cell_angle_alpha   98.957
_cell_angle_beta   107.172
_cell_angle_gamma   120.718
_symmetry_Int_Tables_number   1
_cell_volume   422.554
_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  0.855  0.605  0.750  1.0
  Cs  Cs1  1  0.145  0.395  0.250  1.0
  S  S2  1  0.207  0.328  0.724  1.0
  S  S3  1  0.604  0.983  0.776  1.0
  S  S4  1  0.793  0.672  0.276  1.0
  S  S5  1  0.396  0.017  0.224  1.0
  O  O6  1  0.359  0.368  0.651  1.0
  O  O7  1  0.717  0.208  0.849  1.0
  O  O8  1  0.641  0.632  0.349  1.0
  O  O9  1  0.283  0.792  0.151  1.0
  O  O10  1  0.032  0.339  0.631  1.0
  O  O11  1  0.709  0.901  0.869  1.0
  O  O12  1  0.968  0.661  0.369  1.0
  O  O13  1  0.291  0.099  0.131  1.0
  O  O14  1  0.303  0.435  0.913  1.0
  O  O15  1  0.522  0.890  0.587  1.0
  O  O16  1  0.697  0.565  0.087  1.0
  O  O17  1  0.478  0.110  0.413  1.0
  F  F18  1  0.087  0.084  0.698  1.0
  F  F19  1  0.386  0.889  0.802  1.0
  F  F20  1  0.913  0.916  0.302  1.0
  F  F21  1  0.614  0.111  0.198  1.0
[/CIF]
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The structure described by CsS2(O3F)2 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 12-coordinate geometry to two equivalent O(3), four equivalent O(1), four equivalent O(2), and two equivalent F(1) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one F(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(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 Crystallographic Information File (CIF) [CIF]
data_CsS2(O3F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.996
_cell_length_b   7.996
_cell_length_c   8.674
_cell_angle_alpha   98.957
_cell_angle_beta   107.172
_cell_angle_gamma   120.718
_symmetry_Int_Tables_number   1
_cell_volume   422.554
_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  0.855  0.605  0.750  1.0
  Cs  Cs1  1  0.145  0.395  0.250  1.0
  S  S2  1  0.207  0.328  0.724  1.0
  S  S3  1  0.604  0.983  0.776  1.0
  S  S4  1  0.793  0.672  0.276  1.0
  S  S5  1  0.396  0.017  0.224  1.0
  O  O6  1  0.359  0.368  0.651  1.0
  O  O7  1  0.717  0.208  0.849  1.0
  O  O8  1  0.641  0.632  0.349  1.0
  O  O9  1  0.283  0.792  0.151  1.0
  O  O10  1  0.032  0.339  0.631  1.0
  O  O11  1  0.709  0.901  0.869  1.0
  O  O12  1  0.968  0.661  0.369  1.0
  O  O13  1  0.291  0.099  0.131  1.0
  O  O14  1  0.303  0.435  0.913  1.0
  O  O15  1  0.522  0.890  0.587  1.0
  O  O16  1  0.697  0.565  0.087  1.0
  O  O17  1  0.478  0.110  0.413  1.0
  F  F18  1  0.087  0.084  0.698  1.0
  F  F19  1  0.386  0.889  0.802  1.0
  F  F20  1  0.913  0.916  0.302  1.0
  F  F21  1  0.614  0.111  0.198  1.0
[/CIF]
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