The crystal structure described by Li2PdPb 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 Pd(1) and six equivalent Pb(1) atoms to form distorted LiPd4Pb6 tetrahedra that share corners with six equivalent Li(1)Pd4Pb6 tetrahedra, edges with twelve equivalent Li(2)Pd6Pb4 tetrahedra, faces with four equivalent Li(2)Pd6Pb4 tetrahedra, and faces with twelve equivalent Li(1)Pd4Pb6 tetrahedra. In the second Li site, Li(2) is bonded to six equivalent Pd(1) and four equivalent Pb(1) atoms to form distorted LiPd6Pb4 tetrahedra that share corners with six equivalent Li(2)Pd6Pb4 tetrahedra, edges with twelve equivalent Li(1)Pd4Pb6 tetrahedra, faces with four equivalent Li(1)Pd4Pb6 tetrahedra, and faces with twelve equivalent Li(2)Pd6Pb4 tetrahedra. Pd(1) is bonded in a 14-coordinate geometry to four equivalent Li(1), six equivalent Li(2), and four equivalent Pb(1) atoms. Pb(1) is bonded in a 14-coordinate geometry to four equivalent Li(2), six equivalent Li(1), and four equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_Li2PdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.576
_cell_length_b   4.576
_cell_length_c   4.576
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   67.770
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.750  0.750  1.0
  Pd  Pd2  1  0.500  0.250  0.250  1.0
  Pb  Pb3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Li2PdPb 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 Pd(1) and six equivalent Pb(1) atoms to form distorted LiPd4Pb6 tetrahedra that share corners with six equivalent Li(1)Pd4Pb6 tetrahedra, edges with twelve equivalent Li(2)Pd6Pb4 tetrahedra, faces with four equivalent Li(2)Pd6Pb4 tetrahedra, and faces with twelve equivalent Li(1)Pd4Pb6 tetrahedra. In the second Li site, Li(2) is bonded to six equivalent Pd(1) and four equivalent Pb(1) atoms to form distorted LiPd6Pb4 tetrahedra that share corners with six equivalent Li(2)Pd6Pb4 tetrahedra, edges with twelve equivalent Li(1)Pd4Pb6 tetrahedra, faces with four equivalent Li(1)Pd4Pb6 tetrahedra, and faces with twelve equivalent Li(2)Pd6Pb4 tetrahedra. Pd(1) is bonded in a 14-coordinate geometry to four equivalent Li(1), six equivalent Li(2), and four equivalent Pb(1) atoms. Pb(1) is bonded in a 14-coordinate geometry to four equivalent Li(2), six equivalent Li(1), and four equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_Li2PdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.576
_cell_length_b   4.576
_cell_length_c   4.576
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   67.770
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.750  0.750  1.0
  Pd  Pd2  1  0.500  0.250  0.250  1.0
  Pb  Pb3  1  0.000  0.000  0.000  1.0
[/CIF]
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