The material structure described by Re4As6S3 crystallizes in the trigonal R3m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 6-coordinate geometry to three equivalent As(3) and three equivalent S(1) atoms. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to one As(2), one As(4), two equivalent As(3), and two equivalent S(1) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one As(2) and three equivalent As(3) atoms. In the second As site, As(2) is bonded to three equivalent Re(2) and one As(1) atom to form a mixture of distorted corner and edge-sharing AsRe3As tetrahedra. In the third As site, As(3) is bonded to one Re(1), two equivalent Re(2), and one As(1) atom to form a mixture of distorted corner and edge-sharing AsRe3As tetrahedra. In the fourth As site, As(4) is bonded in a 3-coordinate geometry to three equivalent Re(2) atoms. S(1) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent Re(2) atoms. is represented by the CIF file [CIF]
data_Re4(As2S)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.038
_cell_length_b   7.038
_cell_length_c   7.038
_cell_angle_alpha   59.850
_cell_angle_beta   59.850
_cell_angle_gamma   59.850
_symmetry_Int_Tables_number   1
_cell_volume   245.624
_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  0.400  0.400  0.400  1.0
  Re  Re1  1  0.399  0.797  0.399  1.0
  Re  Re2  1  0.797  0.399  0.399  1.0
  Re  Re3  1  0.399  0.399  0.797  1.0
  As  As4  1  0.000  0.000  0.000  1.0
  As  As5  1  0.142  0.142  0.142  1.0
  As  As6  1  0.142  0.570  0.142  1.0
  As  As7  1  0.570  0.142  0.142  1.0
  As  As8  1  0.142  0.142  0.570  1.0
  As  As9  1  0.640  0.640  0.640  1.0
  S  S10  1  0.631  0.106  0.631  1.0
  S  S11  1  0.106  0.631  0.631  1.0
  S  S12  1  0.631  0.631  0.106  1.0
[/CIF]
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The material structure described by Re4As6S3 crystallizes in the trigonal R3m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 6-coordinate geometry to three equivalent As(3) and three equivalent S(1) atoms. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to one As(2), one As(4), two equivalent As(3), and two equivalent S(1) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one As(2) and three equivalent As(3) atoms. In the second As site, As(2) is bonded to three equivalent Re(2) and one As(1) atom to form a mixture of distorted corner and edge-sharing AsRe3As tetrahedra. In the third As site, As(3) is bonded to one Re(1), two equivalent Re(2), and one As(1) atom to form a mixture of distorted corner and edge-sharing AsRe3As tetrahedra. In the fourth As site, As(4) is bonded in a 3-coordinate geometry to three equivalent Re(2) atoms. S(1) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent Re(2) atoms. is represented by the CIF file [CIF]
data_Re4(As2S)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.038
_cell_length_b   7.038
_cell_length_c   7.038
_cell_angle_alpha   59.850
_cell_angle_beta   59.850
_cell_angle_gamma   59.850
_symmetry_Int_Tables_number   1
_cell_volume   245.624
_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  0.400  0.400  0.400  1.0
  Re  Re1  1  0.399  0.797  0.399  1.0
  Re  Re2  1  0.797  0.399  0.399  1.0
  Re  Re3  1  0.399  0.399  0.797  1.0
  As  As4  1  0.000  0.000  0.000  1.0
  As  As5  1  0.142  0.142  0.142  1.0
  As  As6  1  0.142  0.570  0.142  1.0
  As  As7  1  0.570  0.142  0.142  1.0
  As  As8  1  0.142  0.142  0.570  1.0
  As  As9  1  0.640  0.640  0.640  1.0
  S  S10  1  0.631  0.106  0.631  1.0
  S  S11  1  0.106  0.631  0.631  1.0
  S  S12  1  0.631  0.631  0.106  1.0
[/CIF]
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