The crystal structure described by Au3S is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Au(1) is bonded to eight equivalent Au(1) and four equivalent S(1) atoms to form AuAu8S4 cuboctahedra that share corners with four equivalent S(1)Au12 cuboctahedra, corners with fourteen equivalent Au(1)Au8S4 cuboctahedra, edges with six equivalent S(1)Au12 cuboctahedra, edges with twelve equivalent Au(1)Au8S4 cuboctahedra, faces with four equivalent S(1)Au12 cuboctahedra, and faces with sixteen equivalent Au(1)Au8S4 cuboctahedra. S(1) is bonded to twelve equivalent Au(1) atoms to form SAu12 cuboctahedra that share corners with six equivalent S(1)Au12 cuboctahedra, corners with twelve equivalent Au(1)Au8S4 cuboctahedra, edges with eighteen equivalent Au(1)Au8S4 cuboctahedra, faces with eight equivalent S(1)Au12 cuboctahedra, and faces with twelve equivalent Au(1)Au8S4 cuboctahedra. is represented by the CIF file [CIF]
data_Au3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   5.888
_cell_length_c   4.825
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   144.851
_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
  Au  Au0  1  0.166  0.333  0.250  1.0
  Au  Au1  1  0.667  0.834  0.250  1.0
  Au  Au2  1  0.166  0.834  0.250  1.0
  Au  Au3  1  0.834  0.667  0.750  1.0
  Au  Au4  1  0.333  0.166  0.750  1.0
  Au  Au5  1  0.834  0.166  0.750  1.0
  S  S6  1  0.333  0.667  0.750  1.0
  S  S7  1  0.667  0.333  0.250  1.0
[/CIF]
.
The crystal structure described by Au3S is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Au(1) is bonded to eight equivalent Au(1) and four equivalent S(1) atoms to form AuAu8S4 cuboctahedra that share corners with four equivalent S(1)Au12 cuboctahedra, corners with fourteen equivalent Au(1)Au8S4 cuboctahedra, edges with six equivalent S(1)Au12 cuboctahedra, edges with twelve equivalent Au(1)Au8S4 cuboctahedra, faces with four equivalent S(1)Au12 cuboctahedra, and faces with sixteen equivalent Au(1)Au8S4 cuboctahedra. S(1) is bonded to twelve equivalent Au(1) atoms to form SAu12 cuboctahedra that share corners with six equivalent S(1)Au12 cuboctahedra, corners with twelve equivalent Au(1)Au8S4 cuboctahedra, edges with eighteen equivalent Au(1)Au8S4 cuboctahedra, faces with eight equivalent S(1)Au12 cuboctahedra, and faces with twelve equivalent Au(1)Au8S4 cuboctahedra. is represented by the CIF file [CIF]
data_Au3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   5.888
_cell_length_c   4.825
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   144.851
_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
  Au  Au0  1  0.166  0.333  0.250  1.0
  Au  Au1  1  0.667  0.834  0.250  1.0
  Au  Au2  1  0.166  0.834  0.250  1.0
  Au  Au3  1  0.834  0.667  0.750  1.0
  Au  Au4  1  0.333  0.166  0.750  1.0
  Au  Au5  1  0.834  0.166  0.750  1.0
  S  S6  1  0.333  0.667  0.750  1.0
  S  S7  1  0.667  0.333  0.250  1.0
[/CIF]
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