The crystal structure described by Cd4SF6 crystallizes in the trigonal R-3m space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a body-centered cubic geometry to one F(3), three equivalent F(2), and four equivalent F(1) atoms. In the second Cd site, Cd(2) is bonded in a 7-coordinate geometry to three equivalent S(1), one F(2), and three equivalent F(3) atoms. S(1) is bonded to six equivalent Cd(2) atoms to form SCd6 octahedra that share corners with six equivalent F(2)Cd4 tetrahedra, corners with six equivalent F(3)Cd4 tetrahedra, edges with six equivalent S(1)Cd6 octahedra, and edges with six equivalent F(3)Cd4 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Cd(1) atoms to form a mixture of corner and edge-sharing FCd4 tetrahedra. In the second F site, F(2) is bonded to one Cd(2) and three equivalent Cd(1) atoms to form FCd4 tetrahedra that share corners with three equivalent S(1)Cd6 octahedra, corners with six equivalent F(1)Cd4 tetrahedra, corners with six equivalent F(2)Cd4 tetrahedra, edges with three equivalent F(1)Cd4 tetrahedra, and edges with three equivalent F(3)Cd4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. In the third F site, F(3) is bonded to one Cd(1) and three equivalent Cd(2) atoms to form FCd4 tetrahedra that share corners with three equivalent S(1)Cd6 octahedra, corners with four equivalent F(1)Cd4 tetrahedra, corners with six equivalent F(3)Cd4 tetrahedra, edges with three equivalent S(1)Cd6 octahedra, and edges with three equivalent F(2)Cd4 tetrahedra. The corner-sharing octahedral tilt angles are 14°. is represented by the CIF file [CIF]
data_Cd4SF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.812
_cell_length_b   12.812
_cell_length_c   12.812
_cell_angle_alpha   17.524
_cell_angle_beta   17.524
_cell_angle_gamma   17.524
_symmetry_Int_Tables_number   1
_cell_volume   166.414
_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
  Cd  Cd0  1  0.792  0.792  0.792  1.0
  Cd  Cd1  1  0.208  0.208  0.208  1.0
  Cd  Cd2  1  0.374  0.374  0.374  1.0
  Cd  Cd3  1  0.626  0.626  0.626  1.0
  S  S4  1  0.000  0.000  0.000  1.0
  F  F5  1  0.854  0.854  0.854  1.0
  F  F6  1  0.146  0.146  0.146  1.0
  F  F7  1  0.563  0.563  0.563  1.0
  F  F8  1  0.437  0.437  0.437  1.0
  F  F9  1  0.270  0.270  0.270  1.0
  F  F10  1  0.730  0.730  0.730  1.0
[/CIF]
.
The crystal structure described by Cd4SF6 crystallizes in the trigonal R-3m space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a body-centered cubic geometry to one F(3), three equivalent F(2), and four equivalent F(1) atoms. In the second Cd site, Cd(2) is bonded in a 7-coordinate geometry to three equivalent S(1), one F(2), and three equivalent F(3) atoms. S(1) is bonded to six equivalent Cd(2) atoms to form SCd6 octahedra that share corners with six equivalent F(2)Cd4 tetrahedra, corners with six equivalent F(3)Cd4 tetrahedra, edges with six equivalent S(1)Cd6 octahedra, and edges with six equivalent F(3)Cd4 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Cd(1) atoms to form a mixture of corner and edge-sharing FCd4 tetrahedra. In the second F site, F(2) is bonded to one Cd(2) and three equivalent Cd(1) atoms to form FCd4 tetrahedra that share corners with three equivalent S(1)Cd6 octahedra, corners with six equivalent F(1)Cd4 tetrahedra, corners with six equivalent F(2)Cd4 tetrahedra, edges with three equivalent F(1)Cd4 tetrahedra, and edges with three equivalent F(3)Cd4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. In the third F site, F(3) is bonded to one Cd(1) and three equivalent Cd(2) atoms to form FCd4 tetrahedra that share corners with three equivalent S(1)Cd6 octahedra, corners with four equivalent F(1)Cd4 tetrahedra, corners with six equivalent F(3)Cd4 tetrahedra, edges with three equivalent S(1)Cd6 octahedra, and edges with three equivalent F(2)Cd4 tetrahedra. The corner-sharing octahedral tilt angles are 14°. is represented by the CIF file [CIF]
data_Cd4SF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.812
_cell_length_b   12.812
_cell_length_c   12.812
_cell_angle_alpha   17.524
_cell_angle_beta   17.524
_cell_angle_gamma   17.524
_symmetry_Int_Tables_number   1
_cell_volume   166.414
_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
  Cd  Cd0  1  0.792  0.792  0.792  1.0
  Cd  Cd1  1  0.208  0.208  0.208  1.0
  Cd  Cd2  1  0.374  0.374  0.374  1.0
  Cd  Cd3  1  0.626  0.626  0.626  1.0
  S  S4  1  0.000  0.000  0.000  1.0
  F  F5  1  0.854  0.854  0.854  1.0
  F  F6  1  0.146  0.146  0.146  1.0
  F  F7  1  0.563  0.563  0.563  1.0
  F  F8  1  0.437  0.437  0.437  1.0
  F  F9  1  0.270  0.270  0.270  1.0
  F  F10  1  0.730  0.730  0.730  1.0
[/CIF]
.