The structure described by Cd4SF6 crystallizes in the tetragonal P4_2/nmc space group. Cd(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent F(2), and four equivalent F(1) atoms. S(1) is bonded to four equivalent Cd(1) atoms to form SCd4 tetrahedra that share corners with eight equivalent F(1)Cd4 tetrahedra, corners with eight equivalent F(2)Cd4 tetrahedra, and edges with four equivalent F(1)Cd4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Cd(1) atoms to form distorted FCd4 tetrahedra that share corners with two equivalent S(1)Cd4 tetrahedra, corners with four equivalent F(2)Cd4 tetrahedra, corners with eight equivalent F(1)Cd4 tetrahedra,  an edgeedge with one S(1)Cd4 tetrahedra, edges with two equivalent F(1)Cd4 tetrahedra, and edges with two equivalent F(2)Cd4 tetrahedra. In the second F site, F(2) is bonded to four equivalent Cd(1) atoms to form FCd4 tetrahedra that share corners with four equivalent S(1)Cd4 tetrahedra, corners with eight equivalent F(1)Cd4 tetrahedra, edges with two equivalent F(2)Cd4 tetrahedra, and edges with four equivalent F(1)Cd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd4SF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.891
_cell_length_b   7.891
_cell_length_c   5.511
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   343.134
_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
  Cd  Cd0  1  0.500  0.765  0.234  1.0
  Cd  Cd1  1  0.500  0.235  0.234  1.0
  Cd  Cd2  1  0.265  0.000  0.734  1.0
  Cd  Cd3  1  0.735  0.000  0.734  1.0
  Cd  Cd4  1  0.000  0.735  0.266  1.0
  Cd  Cd5  1  0.000  0.265  0.266  1.0
  Cd  Cd6  1  0.235  0.500  0.766  1.0
  Cd  Cd7  1  0.765  0.500  0.766  1.0
  S  S8  1  0.000  0.000  0.500  1.0
  S  S9  1  0.500  0.500  0.000  1.0
  F  F10  1  0.286  0.286  0.500  1.0
  F  F11  1  0.286  0.714  0.500  1.0
  F  F12  1  0.714  0.286  0.500  1.0
  F  F13  1  0.714  0.714  0.500  1.0
  F  F14  1  0.786  0.786  0.000  1.0
  F  F15  1  0.786  0.214  0.000  1.0
  F  F16  1  0.214  0.786  0.000  1.0
  F  F17  1  0.214  0.214  0.000  1.0
  F  F18  1  0.500  0.000  0.974  1.0
  F  F19  1  0.500  0.000  0.474  1.0
  F  F20  1  0.000  0.500  0.526  1.0
  F  F21  1  0.000  0.500  0.026  1.0
[/CIF]
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The structure described by Cd4SF6 crystallizes in the tetragonal P4_2/nmc space group. Cd(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent F(2), and four equivalent F(1) atoms. S(1) is bonded to four equivalent Cd(1) atoms to form SCd4 tetrahedra that share corners with eight equivalent F(1)Cd4 tetrahedra, corners with eight equivalent F(2)Cd4 tetrahedra, and edges with four equivalent F(1)Cd4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Cd(1) atoms to form distorted FCd4 tetrahedra that share corners with two equivalent S(1)Cd4 tetrahedra, corners with four equivalent F(2)Cd4 tetrahedra, corners with eight equivalent F(1)Cd4 tetrahedra,  an edgeedge with one S(1)Cd4 tetrahedra, edges with two equivalent F(1)Cd4 tetrahedra, and edges with two equivalent F(2)Cd4 tetrahedra. In the second F site, F(2) is bonded to four equivalent Cd(1) atoms to form FCd4 tetrahedra that share corners with four equivalent S(1)Cd4 tetrahedra, corners with eight equivalent F(1)Cd4 tetrahedra, edges with two equivalent F(2)Cd4 tetrahedra, and edges with four equivalent F(1)Cd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd4SF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.891
_cell_length_b   7.891
_cell_length_c   5.511
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   343.134
_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
  Cd  Cd0  1  0.500  0.765  0.234  1.0
  Cd  Cd1  1  0.500  0.235  0.234  1.0
  Cd  Cd2  1  0.265  0.000  0.734  1.0
  Cd  Cd3  1  0.735  0.000  0.734  1.0
  Cd  Cd4  1  0.000  0.735  0.266  1.0
  Cd  Cd5  1  0.000  0.265  0.266  1.0
  Cd  Cd6  1  0.235  0.500  0.766  1.0
  Cd  Cd7  1  0.765  0.500  0.766  1.0
  S  S8  1  0.000  0.000  0.500  1.0
  S  S9  1  0.500  0.500  0.000  1.0
  F  F10  1  0.286  0.286  0.500  1.0
  F  F11  1  0.286  0.714  0.500  1.0
  F  F12  1  0.714  0.286  0.500  1.0
  F  F13  1  0.714  0.714  0.500  1.0
  F  F14  1  0.786  0.786  0.000  1.0
  F  F15  1  0.786  0.214  0.000  1.0
  F  F16  1  0.214  0.786  0.000  1.0
  F  F17  1  0.214  0.214  0.000  1.0
  F  F18  1  0.500  0.000  0.974  1.0
  F  F19  1  0.500  0.000  0.474  1.0
  F  F20  1  0.000  0.500  0.526  1.0
  F  F21  1  0.000  0.500  0.026  1.0
[/CIF]
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