The structure described by Cs3Re3(SI)4 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded in a distorted q6 geometry to four equivalent S(1), two equivalent I(2), and four equivalent I(1) atoms. Re(1) is bonded to four equivalent S(1) and one I(1) atom to form distorted edge-sharing ReS4I square pyramids. S(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Re(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to four equivalent Cs(1) and one Re(1) atom to form distorted ICs4Re square pyramids that share corners with twelve equivalent I(1)Cs4Re square pyramids and edges with four equivalent I(2)Cs6 octahedra. In the second I site, I(2) is bonded to six equivalent Cs(1) atoms to form ICs6 octahedra that share corners with six equivalent I(2)Cs6 octahedra and edges with twelve equivalent I(1)Cs4Re square pyramids. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Re3(SI)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.449
_cell_length_b   11.449
_cell_length_c   11.449
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1061.135
_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  0.500  0.000  0.000  1.0
  Cs  Cs1  1  0.500  0.000  0.500  1.0
  Cs  Cs2  1  0.000  0.500  0.000  1.0
  Cs  Cs3  1  0.000  0.000  0.500  1.0
  Cs  Cs4  1  0.000  0.500  0.500  1.0
  Cs  Cs5  1  0.500  0.500  0.000  1.0
  Re  Re6  1  0.615  0.385  0.385  1.0
  Re  Re7  1  0.385  0.615  0.615  1.0
  Re  Re8  1  0.385  0.385  0.615  1.0
  Re  Re9  1  0.615  0.385  0.615  1.0
  Re  Re10  1  0.615  0.615  0.385  1.0
  Re  Re11  1  0.385  0.615  0.385  1.0
  S  S12  1  0.394  0.817  0.394  1.0
  S  S13  1  0.606  0.606  0.606  1.0
  S  S14  1  0.183  0.606  0.606  1.0
  S  S15  1  0.394  0.394  0.394  1.0
  S  S16  1  0.606  0.606  0.183  1.0
  S  S17  1  0.817  0.394  0.394  1.0
  S  S18  1  0.606  0.183  0.606  1.0
  S  S19  1  0.394  0.394  0.817  1.0
  I  I20  1  0.211  0.211  0.789  1.0
  I  I21  1  0.211  0.789  0.789  1.0
  I  I22  1  0.789  0.211  0.211  1.0
  I  I23  1  0.750  0.750  0.750  1.0
  I  I24  1  0.211  0.789  0.211  1.0
  I  I25  1  0.250  0.250  0.250  1.0
  I  I26  1  0.789  0.789  0.211  1.0
  I  I27  1  0.789  0.211  0.789  1.0
[/CIF]
.
The structure described by Cs3Re3(SI)4 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded in a distorted q6 geometry to four equivalent S(1), two equivalent I(2), and four equivalent I(1) atoms. Re(1) is bonded to four equivalent S(1) and one I(1) atom to form distorted edge-sharing ReS4I square pyramids. S(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Re(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to four equivalent Cs(1) and one Re(1) atom to form distorted ICs4Re square pyramids that share corners with twelve equivalent I(1)Cs4Re square pyramids and edges with four equivalent I(2)Cs6 octahedra. In the second I site, I(2) is bonded to six equivalent Cs(1) atoms to form ICs6 octahedra that share corners with six equivalent I(2)Cs6 octahedra and edges with twelve equivalent I(1)Cs4Re square pyramids. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Re3(SI)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.449
_cell_length_b   11.449
_cell_length_c   11.449
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1061.135
_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  0.500  0.000  0.000  1.0
  Cs  Cs1  1  0.500  0.000  0.500  1.0
  Cs  Cs2  1  0.000  0.500  0.000  1.0
  Cs  Cs3  1  0.000  0.000  0.500  1.0
  Cs  Cs4  1  0.000  0.500  0.500  1.0
  Cs  Cs5  1  0.500  0.500  0.000  1.0
  Re  Re6  1  0.615  0.385  0.385  1.0
  Re  Re7  1  0.385  0.615  0.615  1.0
  Re  Re8  1  0.385  0.385  0.615  1.0
  Re  Re9  1  0.615  0.385  0.615  1.0
  Re  Re10  1  0.615  0.615  0.385  1.0
  Re  Re11  1  0.385  0.615  0.385  1.0
  S  S12  1  0.394  0.817  0.394  1.0
  S  S13  1  0.606  0.606  0.606  1.0
  S  S14  1  0.183  0.606  0.606  1.0
  S  S15  1  0.394  0.394  0.394  1.0
  S  S16  1  0.606  0.606  0.183  1.0
  S  S17  1  0.817  0.394  0.394  1.0
  S  S18  1  0.606  0.183  0.606  1.0
  S  S19  1  0.394  0.394  0.817  1.0
  I  I20  1  0.211  0.211  0.789  1.0
  I  I21  1  0.211  0.789  0.789  1.0
  I  I22  1  0.789  0.211  0.211  1.0
  I  I23  1  0.750  0.750  0.750  1.0
  I  I24  1  0.211  0.789  0.211  1.0
  I  I25  1  0.250  0.250  0.250  1.0
  I  I26  1  0.789  0.789  0.211  1.0
  I  I27  1  0.789  0.211  0.789  1.0
[/CIF]
.