The material described by Li2PdIn crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent Pd(1) and four equivalent In(1) atoms to form distorted LiIn4Pd6 tetrahedra that share corners with six equivalent Li(1)In4Pd6 tetrahedra, corners with twelve equivalent Li(2)Pd4 tetrahedra, faces with four equivalent Li(2)Pd4 tetrahedra, and faces with twelve equivalent Li(1)In4Pd6 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent Pd(1) atoms to form distorted LiPd4 tetrahedra that share corners with twelve equivalent Li(1)In4Pd6 tetrahedra, corners with twelve equivalent Li(2)Pd4 tetrahedra, and faces with four equivalent Li(1)In4Pd6 tetrahedra. Pd(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2), six equivalent Li(1), and four equivalent In(1) atoms. In(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2InPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.488
_cell_length_b   4.488
_cell_length_c   4.488
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   63.925
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.250  0.250  0.250  1.0
  In  In2  1  0.750  0.750  0.750  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Li2PdIn crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent Pd(1) and four equivalent In(1) atoms to form distorted LiIn4Pd6 tetrahedra that share corners with six equivalent Li(1)In4Pd6 tetrahedra, corners with twelve equivalent Li(2)Pd4 tetrahedra, faces with four equivalent Li(2)Pd4 tetrahedra, and faces with twelve equivalent Li(1)In4Pd6 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent Pd(1) atoms to form distorted LiPd4 tetrahedra that share corners with twelve equivalent Li(1)In4Pd6 tetrahedra, corners with twelve equivalent Li(2)Pd4 tetrahedra, and faces with four equivalent Li(1)In4Pd6 tetrahedra. Pd(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2), six equivalent Li(1), and four equivalent In(1) atoms. In(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2InPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.488
_cell_length_b   4.488
_cell_length_c   4.488
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   63.925
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.250  0.250  0.250  1.0
  In  In2  1  0.750  0.750  0.750  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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