The material described by CsSbS6(O3F)6 crystallizes in the trigonal R-3 space group. Cs(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form CsO12 cuboctahedra that share corners with twelve equivalent S(1)O3F tetrahedra. Sb(1) is bonded to six equivalent O(1) atoms to form SbO6 octahedra 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 corners with two equivalent Cs(1)O12 cuboctahedra and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one 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 S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSbS6(O3F)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.881
_cell_length_b   7.881
_cell_length_c   7.881
_cell_angle_alpha   97.608
_cell_angle_beta   97.608
_cell_angle_gamma   97.608
_symmetry_Int_Tables_number   1
_cell_volume   475.225
_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  0.000  0.000  0.000  1.0
  Sb  Sb1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.452  0.734  0.857  1.0
  S  S3  1  0.266  0.143  0.548  1.0
  S  S4  1  0.734  0.857  0.452  1.0
  S  S5  1  0.143  0.548  0.266  1.0
  S  S6  1  0.548  0.266  0.143  1.0
  S  S7  1  0.857  0.452  0.734  1.0
  O  O8  1  0.687  0.658  0.430  1.0
  O  O9  1  0.342  0.570  0.313  1.0
  O  O10  1  0.862  0.895  0.348  1.0
  O  O11  1  0.626  0.748  0.935  1.0
  O  O12  1  0.748  0.935  0.626  1.0
  O  O13  1  0.658  0.430  0.687  1.0
  O  O14  1  0.374  0.252  0.065  1.0
  O  O15  1  0.138  0.105  0.652  1.0
  O  O16  1  0.313  0.342  0.570  1.0
  O  O17  1  0.348  0.862  0.895  1.0
  O  O18  1  0.895  0.348  0.862  1.0
  O  O19  1  0.430  0.687  0.658  1.0
  O  O20  1  0.935  0.626  0.748  1.0
  O  O21  1  0.065  0.374  0.252  1.0
  O  O22  1  0.105  0.652  0.138  1.0
  O  O23  1  0.252  0.065  0.374  1.0
  O  O24  1  0.652  0.138  0.105  1.0
  O  O25  1  0.570  0.313  0.342  1.0
  F  F26  1  0.644  0.439  0.100  1.0
  F  F27  1  0.900  0.356  0.561  1.0
  F  F28  1  0.561  0.900  0.356  1.0
  F  F29  1  0.100  0.644  0.439  1.0
  F  F30  1  0.356  0.561  0.900  1.0
  F  F31  1  0.439  0.100  0.644  1.0
[/CIF]
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The material described by CsSbS6(O3F)6 crystallizes in the trigonal R-3 space group. Cs(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form CsO12 cuboctahedra that share corners with twelve equivalent S(1)O3F tetrahedra. Sb(1) is bonded to six equivalent O(1) atoms to form SbO6 octahedra 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 corners with two equivalent Cs(1)O12 cuboctahedra and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one 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 S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSbS6(O3F)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.881
_cell_length_b   7.881
_cell_length_c   7.881
_cell_angle_alpha   97.608
_cell_angle_beta   97.608
_cell_angle_gamma   97.608
_symmetry_Int_Tables_number   1
_cell_volume   475.225
_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  0.000  0.000  0.000  1.0
  Sb  Sb1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.452  0.734  0.857  1.0
  S  S3  1  0.266  0.143  0.548  1.0
  S  S4  1  0.734  0.857  0.452  1.0
  S  S5  1  0.143  0.548  0.266  1.0
  S  S6  1  0.548  0.266  0.143  1.0
  S  S7  1  0.857  0.452  0.734  1.0
  O  O8  1  0.687  0.658  0.430  1.0
  O  O9  1  0.342  0.570  0.313  1.0
  O  O10  1  0.862  0.895  0.348  1.0
  O  O11  1  0.626  0.748  0.935  1.0
  O  O12  1  0.748  0.935  0.626  1.0
  O  O13  1  0.658  0.430  0.687  1.0
  O  O14  1  0.374  0.252  0.065  1.0
  O  O15  1  0.138  0.105  0.652  1.0
  O  O16  1  0.313  0.342  0.570  1.0
  O  O17  1  0.348  0.862  0.895  1.0
  O  O18  1  0.895  0.348  0.862  1.0
  O  O19  1  0.430  0.687  0.658  1.0
  O  O20  1  0.935  0.626  0.748  1.0
  O  O21  1  0.065  0.374  0.252  1.0
  O  O22  1  0.105  0.652  0.138  1.0
  O  O23  1  0.252  0.065  0.374  1.0
  O  O24  1  0.652  0.138  0.105  1.0
  O  O25  1  0.570  0.313  0.342  1.0
  F  F26  1  0.644  0.439  0.100  1.0
  F  F27  1  0.900  0.356  0.561  1.0
  F  F28  1  0.561  0.900  0.356  1.0
  F  F29  1  0.100  0.644  0.439  1.0
  F  F30  1  0.356  0.561  0.900  1.0
  F  F31  1  0.439  0.100  0.644  1.0
[/CIF]
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