The material described by AuAg4S2 crystallizes in the monoclinic P2/m space group. Au(1) is bonded to two equivalent Ag(1), four equivalent Ag(2), and two equivalent S(1) atoms to form distorted AuAg6S2 hexagonal bipyramids that share corners with two equivalent Au(1)Ag6S2 hexagonal bipyramids, edges with two equivalent Au(1)Ag6S2 hexagonal bipyramids, and edges with four equivalent S(2)Ag6 octahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one Au(1), one S(1), and two equivalent S(2) atoms. In the second Ag site, Ag(2) is bonded in a 5-coordinate geometry to two equivalent Au(1), one S(2), and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted body-centered cubic geometry to two equivalent Au(1), two equivalent Ag(1), and four equivalent Ag(2) atoms. In the second S site, S(2) is bonded to two equivalent Ag(2) and four equivalent Ag(1) atoms to form SAg6 octahedra that share edges with four equivalent Au(1)Ag6S2 hexagonal bipyramids and edges with two equivalent S(2)Ag6 octahedra. is represented by the CIF file [CIF]
data_Ag4AuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.975
_cell_length_b   5.171
_cell_length_c   6.897
_cell_angle_alpha   86.244
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   141.450
_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
  Ag  Ag0  1  0.500  0.292  0.867  1.0
  Ag  Ag1  1  0.000  0.697  0.730  1.0
  Ag  Ag2  1  0.000  0.303  0.270  1.0
  Ag  Ag3  1  0.500  0.708  0.133  1.0
  Au  Au4  1  0.500  0.000  0.500  1.0
  S  S5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by AuAg4S2 crystallizes in the monoclinic P2/m space group. Au(1) is bonded to two equivalent Ag(1), four equivalent Ag(2), and two equivalent S(1) atoms to form distorted AuAg6S2 hexagonal bipyramids that share corners with two equivalent Au(1)Ag6S2 hexagonal bipyramids, edges with two equivalent Au(1)Ag6S2 hexagonal bipyramids, and edges with four equivalent S(2)Ag6 octahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one Au(1), one S(1), and two equivalent S(2) atoms. In the second Ag site, Ag(2) is bonded in a 5-coordinate geometry to two equivalent Au(1), one S(2), and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted body-centered cubic geometry to two equivalent Au(1), two equivalent Ag(1), and four equivalent Ag(2) atoms. In the second S site, S(2) is bonded to two equivalent Ag(2) and four equivalent Ag(1) atoms to form SAg6 octahedra that share edges with four equivalent Au(1)Ag6S2 hexagonal bipyramids and edges with two equivalent S(2)Ag6 octahedra. is represented by the CIF file [CIF]
data_Ag4AuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.975
_cell_length_b   5.171
_cell_length_c   6.897
_cell_angle_alpha   86.244
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   141.450
_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
  Ag  Ag0  1  0.500  0.292  0.867  1.0
  Ag  Ag1  1  0.000  0.697  0.730  1.0
  Ag  Ag2  1  0.000  0.303  0.270  1.0
  Ag  Ag3  1  0.500  0.708  0.133  1.0
  Au  Au4  1  0.500  0.000  0.500  1.0
  S  S5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.000  0.000  0.000  1.0
[/CIF]
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