The material described by Pd3Hg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pd(1) is bonded to eight equivalent Pd(1) and four equivalent Hg(1) atoms to form PdHg4Pd8 cuboctahedra that share corners with four equivalent Hg(1)Pd12 cuboctahedra, corners with fourteen equivalent Pd(1)Hg4Pd8 cuboctahedra, edges with six equivalent Hg(1)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Hg4Pd8 cuboctahedra, faces with four equivalent Hg(1)Pd12 cuboctahedra, and faces with sixteen equivalent Pd(1)Hg4Pd8 cuboctahedra. Hg(1) is bonded to twelve equivalent Pd(1) atoms to form HgPd12 cuboctahedra that share corners with six equivalent Hg(1)Pd12 cuboctahedra, corners with twelve equivalent Pd(1)Hg4Pd8 cuboctahedra, edges with eighteen equivalent Pd(1)Hg4Pd8 cuboctahedra, faces with eight equivalent Hg(1)Pd12 cuboctahedra, and faces with twelve equivalent Pd(1)Hg4Pd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HgPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.680
_cell_length_b   5.680
_cell_length_c   4.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   130.392
_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
  Hg  Hg0  1  0.333  0.667  0.750  1.0
  Hg  Hg1  1  0.667  0.333  0.250  1.0
  Pd  Pd2  1  0.165  0.329  0.250  1.0
  Pd  Pd3  1  0.671  0.835  0.250  1.0
  Pd  Pd4  1  0.165  0.835  0.250  1.0
  Pd  Pd5  1  0.835  0.671  0.750  1.0
  Pd  Pd6  1  0.329  0.165  0.750  1.0
  Pd  Pd7  1  0.835  0.165  0.750  1.0
[/CIF]
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The material described by Pd3Hg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pd(1) is bonded to eight equivalent Pd(1) and four equivalent Hg(1) atoms to form PdHg4Pd8 cuboctahedra that share corners with four equivalent Hg(1)Pd12 cuboctahedra, corners with fourteen equivalent Pd(1)Hg4Pd8 cuboctahedra, edges with six equivalent Hg(1)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Hg4Pd8 cuboctahedra, faces with four equivalent Hg(1)Pd12 cuboctahedra, and faces with sixteen equivalent Pd(1)Hg4Pd8 cuboctahedra. Hg(1) is bonded to twelve equivalent Pd(1) atoms to form HgPd12 cuboctahedra that share corners with six equivalent Hg(1)Pd12 cuboctahedra, corners with twelve equivalent Pd(1)Hg4Pd8 cuboctahedra, edges with eighteen equivalent Pd(1)Hg4Pd8 cuboctahedra, faces with eight equivalent Hg(1)Pd12 cuboctahedra, and faces with twelve equivalent Pd(1)Hg4Pd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HgPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.680
_cell_length_b   5.680
_cell_length_c   4.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   130.392
_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
  Hg  Hg0  1  0.333  0.667  0.750  1.0
  Hg  Hg1  1  0.667  0.333  0.250  1.0
  Pd  Pd2  1  0.165  0.329  0.250  1.0
  Pd  Pd3  1  0.671  0.835  0.250  1.0
  Pd  Pd4  1  0.165  0.835  0.250  1.0
  Pd  Pd5  1  0.835  0.671  0.750  1.0
  Pd  Pd6  1  0.329  0.165  0.750  1.0
  Pd  Pd7  1  0.835  0.165  0.750  1.0
[/CIF]
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