The material described by Au4Hg crystallizes in the trigonal R-3m space group. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded to three equivalent Au(2), six equivalent Au(1), and three equivalent Hg(1) atoms to form distorted AuHg3Au9 cuboctahedra that share corners with three equivalent Au(2)Au12 cuboctahedra; corners with nine equivalent Au(1)Hg3Au9 cuboctahedra; edges with six equivalent Hg(1)Hg6Au6 cuboctahedra; edges with nine Au(2,2)Au12 cuboctahedra; edges with nine equivalent Au(1)Hg3Au9 cuboctahedra; faces with six equivalent Au(2)Au12 cuboctahedra; faces with six equivalent Au(1)Hg3Au9 cuboctahedra; and faces with six equivalent Hg(1)Hg6Au6 cuboctahedra. In the second Au site, Au(2) is bonded to three equivalent Au(1) and nine Au(2,2) atoms to form AuAu12 cuboctahedra that share corners with three equivalent Au(1)Hg3Au9 cuboctahedra; corners with three equivalent Hg(1)Hg6Au6 cuboctahedra; corners with six equivalent Au(2)Au12 cuboctahedra; edges with three equivalent Hg(1)Hg6Au6 cuboctahedra; edges with nine equivalent Au(1)Hg3Au9 cuboctahedra; edges with twelve Au(2,2)Au12 cuboctahedra; faces with six equivalent Au(1)Hg3Au9 cuboctahedra; and faces with twelve Au(2,2)Au12 cuboctahedra. In the third Au site, Au(2) is bonded to three equivalent Au(1) and nine Au(2,2) atoms to form AuAu12 cuboctahedra that share corners with three equivalent Au(1)Hg3Au9 cuboctahedra; corners with three equivalent Hg(1)Hg6Au6 cuboctahedra; corners with six equivalent Au(2)Au12 cuboctahedra; edges with three equivalent Hg(1)Hg6Au6 cuboctahedra; edges with nine equivalent Au(1)Hg3Au9 cuboctahedra; edges with twelve Au(2,2)Au12 cuboctahedra; faces with six equivalent Au(1)Hg3Au9 cuboctahedra; and faces with twelve Au(2,2)Au12 cuboctahedra. In the fourth Au site, Au(2) is bonded to three equivalent Au(1) and nine Au(2,2) atoms to form AuAu12 cuboctahedra that share corners with three equivalent Au(1)Hg3Au9 cuboctahedra; corners with three equivalent Hg(1)Hg6Au6 cuboctahedra; corners with six equivalent Au(2)Au12 cuboctahedra; edges with three equivalent Hg(1)Hg6Au6 cuboctahedra; edges with nine equivalent Au(1)Hg3Au9 cuboctahedra; edges with twelve Au(2,2)Au12 cuboctahedra; faces with six equivalent Au(1)Hg3Au9 cuboctahedra; and faces with twelve Au(2,2)Au12 cuboctahedra. Hg(1) is bonded to six equivalent Au(1) and six equivalent Hg(1) atoms to form distorted HgHg6Au6 cuboctahedra that share corners with six equivalent Au(2)Au12 cuboctahedra, corners with six equivalent Hg(1)Hg6Au6 cuboctahedra, edges with six equivalent Au(2)Au12 cuboctahedra, edges with six equivalent Hg(1)Hg6Au6 cuboctahedra, edges with twelve equivalent Au(1)Hg3Au9 cuboctahedra, faces with six equivalent Hg(1)Hg6Au6 cuboctahedra, and faces with twelve equivalent Au(1)Hg3Au9 cuboctahedra. is represented by the CIF card [CIF]
data_HgAu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.956
_cell_length_b   11.956
_cell_length_c   11.956
_cell_angle_alpha   14.448
_cell_angle_beta   14.448
_cell_angle_gamma   14.448
_symmetry_Int_Tables_number   1
_cell_volume   92.629
_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
  Hg  Hg0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.597  0.597  0.597  1.0
  Au  Au2  1  0.199  0.199  0.199  1.0
  Au  Au3  1  0.801  0.801  0.801  1.0
  Au  Au4  1  0.403  0.403  0.403  1.0
[/CIF]
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The material described by Au4Hg crystallizes in the trigonal R-3m space group. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded to three equivalent Au(2), six equivalent Au(1), and three equivalent Hg(1) atoms to form distorted AuHg3Au9 cuboctahedra that share corners with three equivalent Au(2)Au12 cuboctahedra; corners with nine equivalent Au(1)Hg3Au9 cuboctahedra; edges with six equivalent Hg(1)Hg6Au6 cuboctahedra; edges with nine Au(2,2)Au12 cuboctahedra; edges with nine equivalent Au(1)Hg3Au9 cuboctahedra; faces with six equivalent Au(2)Au12 cuboctahedra; faces with six equivalent Au(1)Hg3Au9 cuboctahedra; and faces with six equivalent Hg(1)Hg6Au6 cuboctahedra. In the second Au site, Au(2) is bonded to three equivalent Au(1) and nine Au(2,2) atoms to form AuAu12 cuboctahedra that share corners with three equivalent Au(1)Hg3Au9 cuboctahedra; corners with three equivalent Hg(1)Hg6Au6 cuboctahedra; corners with six equivalent Au(2)Au12 cuboctahedra; edges with three equivalent Hg(1)Hg6Au6 cuboctahedra; edges with nine equivalent Au(1)Hg3Au9 cuboctahedra; edges with twelve Au(2,2)Au12 cuboctahedra; faces with six equivalent Au(1)Hg3Au9 cuboctahedra; and faces with twelve Au(2,2)Au12 cuboctahedra. In the third Au site, Au(2) is bonded to three equivalent Au(1) and nine Au(2,2) atoms to form AuAu12 cuboctahedra that share corners with three equivalent Au(1)Hg3Au9 cuboctahedra; corners with three equivalent Hg(1)Hg6Au6 cuboctahedra; corners with six equivalent Au(2)Au12 cuboctahedra; edges with three equivalent Hg(1)Hg6Au6 cuboctahedra; edges with nine equivalent Au(1)Hg3Au9 cuboctahedra; edges with twelve Au(2,2)Au12 cuboctahedra; faces with six equivalent Au(1)Hg3Au9 cuboctahedra; and faces with twelve Au(2,2)Au12 cuboctahedra. In the fourth Au site, Au(2) is bonded to three equivalent Au(1) and nine Au(2,2) atoms to form AuAu12 cuboctahedra that share corners with three equivalent Au(1)Hg3Au9 cuboctahedra; corners with three equivalent Hg(1)Hg6Au6 cuboctahedra; corners with six equivalent Au(2)Au12 cuboctahedra; edges with three equivalent Hg(1)Hg6Au6 cuboctahedra; edges with nine equivalent Au(1)Hg3Au9 cuboctahedra; edges with twelve Au(2,2)Au12 cuboctahedra; faces with six equivalent Au(1)Hg3Au9 cuboctahedra; and faces with twelve Au(2,2)Au12 cuboctahedra. Hg(1) is bonded to six equivalent Au(1) and six equivalent Hg(1) atoms to form distorted HgHg6Au6 cuboctahedra that share corners with six equivalent Au(2)Au12 cuboctahedra, corners with six equivalent Hg(1)Hg6Au6 cuboctahedra, edges with six equivalent Au(2)Au12 cuboctahedra, edges with six equivalent Hg(1)Hg6Au6 cuboctahedra, edges with twelve equivalent Au(1)Hg3Au9 cuboctahedra, faces with six equivalent Hg(1)Hg6Au6 cuboctahedra, and faces with twelve equivalent Au(1)Hg3Au9 cuboctahedra. is represented by the CIF card [CIF]
data_HgAu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.956
_cell_length_b   11.956
_cell_length_c   11.956
_cell_angle_alpha   14.448
_cell_angle_beta   14.448
_cell_angle_gamma   14.448
_symmetry_Int_Tables_number   1
_cell_volume   92.629
_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
  Hg  Hg0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.597  0.597  0.597  1.0
  Au  Au2  1  0.199  0.199  0.199  1.0
  Au  Au3  1  0.801  0.801  0.801  1.0
  Au  Au4  1  0.403  0.403  0.403  1.0
[/CIF]
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