The material described by Li2AuPb is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Pb(1) atoms to form distorted LiPb4 tetrahedra that share corners with twelve equivalent Li(1)Pb4 tetrahedra, corners with twelve equivalent Li(2)Pb6Au4 tetrahedra, and faces with four equivalent Li(2)Pb6Au4 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent Au(1) and six equivalent Pb(1) atoms to form distorted LiPb6Au4 tetrahedra that share corners with six equivalent Li(2)Pb6Au4 tetrahedra, corners with twelve equivalent Li(1)Pb4 tetrahedra, faces with four equivalent Li(1)Pb4 tetrahedra, and faces with twelve equivalent Li(2)Pb6Au4 tetrahedra. Au(1) is bonded in a 8-coordinate geometry to four equivalent Li(2) and four equivalent Pb(1) atoms. Pb(1) is bonded in a 14-coordinate geometry to four equivalent Li(1), six equivalent Li(2), and four equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_Li2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.703
_cell_length_b   4.703
_cell_length_c   4.703
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   73.542
_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
  Li  Li0  1  0.250  0.250  0.250  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Pb  Pb2  1  0.000  0.000  0.000  1.0
  Au  Au3  1  0.750  0.750  0.750  1.0
[/CIF]
.
The material described by Li2AuPb is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Pb(1) atoms to form distorted LiPb4 tetrahedra that share corners with twelve equivalent Li(1)Pb4 tetrahedra, corners with twelve equivalent Li(2)Pb6Au4 tetrahedra, and faces with four equivalent Li(2)Pb6Au4 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent Au(1) and six equivalent Pb(1) atoms to form distorted LiPb6Au4 tetrahedra that share corners with six equivalent Li(2)Pb6Au4 tetrahedra, corners with twelve equivalent Li(1)Pb4 tetrahedra, faces with four equivalent Li(1)Pb4 tetrahedra, and faces with twelve equivalent Li(2)Pb6Au4 tetrahedra. Au(1) is bonded in a 8-coordinate geometry to four equivalent Li(2) and four equivalent Pb(1) atoms. Pb(1) is bonded in a 14-coordinate geometry to four equivalent Li(1), six equivalent Li(2), and four equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_Li2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.703
_cell_length_b   4.703
_cell_length_c   4.703
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   73.542
_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
  Li  Li0  1  0.250  0.250  0.250  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Pb  Pb2  1  0.000  0.000  0.000  1.0
  Au  Au3  1  0.750  0.750  0.750  1.0
[/CIF]
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