The material described by Pt4Hg crystallizes in the trigonal R-3m space group. There are four inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to three equivalent Pt(2), six equivalent Pt(1), and three equivalent Hg(1) atoms to form PtHg3Pt9 cuboctahedra that share corners with three equivalent Pt(2)Pt12 cuboctahedra, corners with nine equivalent Pt(1)Hg3Pt9 cuboctahedra, edges with six equivalent Hg(1)Hg6Pt6 cuboctahedra, edges with nine equivalent Pt(1)Hg3Pt9 cuboctahedra, edges with nine equivalent Pt(2)Pt12 cuboctahedra, faces with six equivalent Pt(1)Hg3Pt9 cuboctahedra, faces with six equivalent Pt(2)Pt12 cuboctahedra, and faces with six equivalent Hg(1)Hg6Pt6 cuboctahedra. In the second Pt site, Pt(2) is bonded to three equivalent Pt(1) and nine equivalent Pt(2) atoms to form PtPt12 cuboctahedra that share corners with three equivalent Pt(1)Hg3Pt9 cuboctahedra, corners with three equivalent Hg(1)Hg6Pt6 cuboctahedra, corners with six equivalent Pt(2)Pt12 cuboctahedra, edges with three equivalent Hg(1)Hg6Pt6 cuboctahedra, edges with nine equivalent Pt(1)Hg3Pt9 cuboctahedra, edges with twelve equivalent Pt(2)Pt12 cuboctahedra, faces with six equivalent Pt(1)Hg3Pt9 cuboctahedra, and faces with twelve equivalent Pt(2)Pt12 cuboctahedra. In the third Pt site, Pt(2) is bonded to three equivalent Pt(1) and nine equivalent Pt(2) atoms to form PtPt12 cuboctahedra that share corners with three equivalent Pt(1)Hg3Pt9 cuboctahedra, corners with three equivalent Hg(1)Hg6Pt6 cuboctahedra, corners with six equivalent Pt(2)Pt12 cuboctahedra, edges with three equivalent Hg(1)Hg6Pt6 cuboctahedra, edges with nine equivalent Pt(1)Hg3Pt9 cuboctahedra, edges with twelve equivalent Pt(2)Pt12 cuboctahedra, faces with six equivalent Pt(1)Hg3Pt9 cuboctahedra, and faces with twelve equivalent Pt(2)Pt12 cuboctahedra. In the fourth Pt site, Pt(2) is bonded to three equivalent Pt(1) and nine Pt(2,2) atoms to form PtPt12 cuboctahedra that share corners with three equivalent Pt(1)Hg3Pt9 cuboctahedra; corners with three equivalent Hg(1)Hg6Pt6 cuboctahedra; corners with six equivalent Pt(2)Pt12 cuboctahedra; edges with three equivalent Hg(1)Hg6Pt6 cuboctahedra; edges with nine equivalent Pt(1)Hg3Pt9 cuboctahedra; edges with twelve Pt(2,2)Pt12 cuboctahedra; faces with six equivalent Pt(1)Hg3Pt9 cuboctahedra; and faces with twelve Pt(2,2)Pt12 cuboctahedra. Hg(1) is bonded to six equivalent Pt(1) and six equivalent Hg(1) atoms to form HgHg6Pt6 cuboctahedra that share corners with six Pt(2,2)Pt12 cuboctahedra; corners with six equivalent Hg(1)Hg6Pt6 cuboctahedra; edges with six Pt(2,2)Pt12 cuboctahedra; edges with six equivalent Hg(1)Hg6Pt6 cuboctahedra; edges with twelve equivalent Pt(1)Hg3Pt9 cuboctahedra; faces with six equivalent Hg(1)Hg6Pt6 cuboctahedra; and faces with twelve equivalent Pt(1)Hg3Pt9 cuboctahedra. is represented by the CIF card [CIF]
data_HgPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.906
_cell_length_b   2.906
_cell_length_c   11.527
_cell_angle_alpha   82.759
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   83.388
_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
  Pt  Pt1  1  0.597  0.194  0.209  1.0
  Pt  Pt2  1  0.199  0.397  0.404  1.0
  Pt  Pt3  1  0.801  0.603  0.596  1.0
  Pt  Pt4  1  0.403  0.806  0.791  1.0
[/CIF]
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The material described by Pt4Hg crystallizes in the trigonal R-3m space group. There are four inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to three equivalent Pt(2), six equivalent Pt(1), and three equivalent Hg(1) atoms to form PtHg3Pt9 cuboctahedra that share corners with three equivalent Pt(2)Pt12 cuboctahedra, corners with nine equivalent Pt(1)Hg3Pt9 cuboctahedra, edges with six equivalent Hg(1)Hg6Pt6 cuboctahedra, edges with nine equivalent Pt(1)Hg3Pt9 cuboctahedra, edges with nine equivalent Pt(2)Pt12 cuboctahedra, faces with six equivalent Pt(1)Hg3Pt9 cuboctahedra, faces with six equivalent Pt(2)Pt12 cuboctahedra, and faces with six equivalent Hg(1)Hg6Pt6 cuboctahedra. In the second Pt site, Pt(2) is bonded to three equivalent Pt(1) and nine equivalent Pt(2) atoms to form PtPt12 cuboctahedra that share corners with three equivalent Pt(1)Hg3Pt9 cuboctahedra, corners with three equivalent Hg(1)Hg6Pt6 cuboctahedra, corners with six equivalent Pt(2)Pt12 cuboctahedra, edges with three equivalent Hg(1)Hg6Pt6 cuboctahedra, edges with nine equivalent Pt(1)Hg3Pt9 cuboctahedra, edges with twelve equivalent Pt(2)Pt12 cuboctahedra, faces with six equivalent Pt(1)Hg3Pt9 cuboctahedra, and faces with twelve equivalent Pt(2)Pt12 cuboctahedra. In the third Pt site, Pt(2) is bonded to three equivalent Pt(1) and nine equivalent Pt(2) atoms to form PtPt12 cuboctahedra that share corners with three equivalent Pt(1)Hg3Pt9 cuboctahedra, corners with three equivalent Hg(1)Hg6Pt6 cuboctahedra, corners with six equivalent Pt(2)Pt12 cuboctahedra, edges with three equivalent Hg(1)Hg6Pt6 cuboctahedra, edges with nine equivalent Pt(1)Hg3Pt9 cuboctahedra, edges with twelve equivalent Pt(2)Pt12 cuboctahedra, faces with six equivalent Pt(1)Hg3Pt9 cuboctahedra, and faces with twelve equivalent Pt(2)Pt12 cuboctahedra. In the fourth Pt site, Pt(2) is bonded to three equivalent Pt(1) and nine Pt(2,2) atoms to form PtPt12 cuboctahedra that share corners with three equivalent Pt(1)Hg3Pt9 cuboctahedra; corners with three equivalent Hg(1)Hg6Pt6 cuboctahedra; corners with six equivalent Pt(2)Pt12 cuboctahedra; edges with three equivalent Hg(1)Hg6Pt6 cuboctahedra; edges with nine equivalent Pt(1)Hg3Pt9 cuboctahedra; edges with twelve Pt(2,2)Pt12 cuboctahedra; faces with six equivalent Pt(1)Hg3Pt9 cuboctahedra; and faces with twelve Pt(2,2)Pt12 cuboctahedra. Hg(1) is bonded to six equivalent Pt(1) and six equivalent Hg(1) atoms to form HgHg6Pt6 cuboctahedra that share corners with six Pt(2,2)Pt12 cuboctahedra; corners with six equivalent Hg(1)Hg6Pt6 cuboctahedra; edges with six Pt(2,2)Pt12 cuboctahedra; edges with six equivalent Hg(1)Hg6Pt6 cuboctahedra; edges with twelve equivalent Pt(1)Hg3Pt9 cuboctahedra; faces with six equivalent Hg(1)Hg6Pt6 cuboctahedra; and faces with twelve equivalent Pt(1)Hg3Pt9 cuboctahedra. is represented by the CIF card [CIF]
data_HgPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.906
_cell_length_b   2.906
_cell_length_c   11.527
_cell_angle_alpha   82.759
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   83.388
_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
  Pt  Pt1  1  0.597  0.194  0.209  1.0
  Pt  Pt2  1  0.199  0.397  0.404  1.0
  Pt  Pt3  1  0.801  0.603  0.596  1.0
  Pt  Pt4  1  0.403  0.806  0.791  1.0
[/CIF]
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