The material described by Re4As5S4 crystallizes in the cubic F-43m space group. Re(1) is bonded in a 6-coordinate geometry to three equivalent As(2) and three equivalent S(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to four equivalent As(2) atoms. In the second As site, As(2) is bonded to three equivalent Re(1) and one As(1) atom to form a mixture of distorted corner and edge-sharing AsRe3As tetrahedra. S(1) is bonded in a 3-coordinate geometry to three equivalent Re(1) atoms. is represented by the CIF file [CIF]
data_Re4As5S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.037
_cell_length_b   7.037
_cell_length_c   7.037
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   246.366
_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
  Re  Re0  1  0.401  0.401  0.401  1.0
  Re  Re1  1  0.401  0.401  0.797  1.0
  Re  Re2  1  0.401  0.797  0.401  1.0
  Re  Re3  1  0.797  0.401  0.401  1.0
  As  As4  1  0.000  0.000  0.000  1.0
  As  As5  1  0.144  0.144  0.144  1.0
  As  As6  1  0.144  0.144  0.568  1.0
  As  As7  1  0.144  0.568  0.144  1.0
  As  As8  1  0.568  0.144  0.144  1.0
  S  S9  1  0.631  0.631  0.631  1.0
  S  S10  1  0.631  0.631  0.107  1.0
  S  S11  1  0.631  0.107  0.631  1.0
  S  S12  1  0.107  0.631  0.631  1.0
[/CIF]
.
The material described by Re4As5S4 crystallizes in the cubic F-43m space group. Re(1) is bonded in a 6-coordinate geometry to three equivalent As(2) and three equivalent S(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to four equivalent As(2) atoms. In the second As site, As(2) is bonded to three equivalent Re(1) and one As(1) atom to form a mixture of distorted corner and edge-sharing AsRe3As tetrahedra. S(1) is bonded in a 3-coordinate geometry to three equivalent Re(1) atoms. is represented by the CIF file [CIF]
data_Re4As5S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.037
_cell_length_b   7.037
_cell_length_c   7.037
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   246.366
_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
  Re  Re0  1  0.401  0.401  0.401  1.0
  Re  Re1  1  0.401  0.401  0.797  1.0
  Re  Re2  1  0.401  0.797  0.401  1.0
  Re  Re3  1  0.797  0.401  0.401  1.0
  As  As4  1  0.000  0.000  0.000  1.0
  As  As5  1  0.144  0.144  0.144  1.0
  As  As6  1  0.144  0.144  0.568  1.0
  As  As7  1  0.144  0.568  0.144  1.0
  As  As8  1  0.568  0.144  0.144  1.0
  S  S9  1  0.631  0.631  0.631  1.0
  S  S10  1  0.631  0.631  0.107  1.0
  S  S11  1  0.631  0.107  0.631  1.0
  S  S12  1  0.107  0.631  0.631  1.0
[/CIF]
.