The material structure described by Li15Pd4 crystallizes in the cubic I-43d space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to eight equivalent Li(2) and four equivalent Pd(1) atoms to form distorted LiLi8Pd4 cuboctahedra that share corners with eight equivalent Pd(1)Li12 cuboctahedra, edges with eight equivalent Li(1)Li8Pd4 cuboctahedra, and faces with four equivalent Pd(1)Li12 cuboctahedra. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and three equivalent Pd(1) atoms. Pd(1) is bonded to three equivalent Li(1) and nine equivalent Li(2) atoms to form distorted PdLi12 cuboctahedra that share corners with six equivalent Li(1)Li8Pd4 cuboctahedra, edges with six equivalent Pd(1)Li12 cuboctahedra, faces with three equivalent Li(1)Li8Pd4 cuboctahedra, and faces with five equivalent Pd(1)Li12 cuboctahedra. is represented by the CIF file [CIF]
data_Li15Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.144
_cell_length_b   9.144
_cell_length_c   9.144
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   588.566
_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
  Li  Li0  1  0.375  0.750  0.625  1.0
  Li  Li1  1  0.125  0.250  0.875  1.0
  Li  Li2  1  0.750  0.625  0.375  1.0
  Li  Li3  1  0.250  0.875  0.125  1.0
  Li  Li4  1  0.625  0.375  0.750  1.0
  Li  Li5  1  0.875  0.125  0.250  1.0
  Li  Li6  1  0.275  0.195  0.659  1.0
  Li  Li7  1  0.964  0.305  0.080  1.0
  Li  Li8  1  0.536  0.116  0.841  1.0
  Li  Li9  1  0.225  0.384  0.420  1.0
  Li  Li10  1  0.159  0.695  0.775  1.0
  Li  Li11  1  0.580  0.805  0.464  1.0
  Li  Li12  1  0.341  0.616  0.036  1.0
  Li  Li13  1  0.920  0.884  0.725  1.0
  Li  Li14  1  0.195  0.659  0.275  1.0
  Li  Li15  1  0.305  0.080  0.964  1.0
  Li  Li16  1  0.116  0.841  0.536  1.0
  Li  Li17  1  0.384  0.420  0.225  1.0
  Li  Li18  1  0.695  0.775  0.159  1.0
  Li  Li19  1  0.805  0.464  0.580  1.0
  Li  Li20  1  0.616  0.036  0.341  1.0
  Li  Li21  1  0.884  0.725  0.920  1.0
  Li  Li22  1  0.659  0.275  0.195  1.0
  Li  Li23  1  0.080  0.964  0.305  1.0
  Li  Li24  1  0.841  0.536  0.116  1.0
  Li  Li25  1  0.420  0.225  0.384  1.0
  Li  Li26  1  0.775  0.159  0.695  1.0
  Li  Li27  1  0.464  0.580  0.805  1.0
  Li  Li28  1  0.036  0.341  0.616  1.0
  Li  Li29  1  0.725  0.920  0.884  1.0
  Pd  Pd30  1  0.412  0.000  0.500  1.0
  Pd  Pd31  1  0.000  0.500  0.412  1.0
  Pd  Pd32  1  0.500  0.412  0.000  1.0
  Pd  Pd33  1  0.088  0.088  0.088  1.0
  Pd  Pd34  1  0.000  0.500  0.912  1.0
  Pd  Pd35  1  0.912  0.000  0.500  1.0
  Pd  Pd36  1  0.500  0.912  0.000  1.0
  Pd  Pd37  1  0.588  0.588  0.588  1.0
[/CIF]
.
The material structure described by Li15Pd4 crystallizes in the cubic I-43d space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to eight equivalent Li(2) and four equivalent Pd(1) atoms to form distorted LiLi8Pd4 cuboctahedra that share corners with eight equivalent Pd(1)Li12 cuboctahedra, edges with eight equivalent Li(1)Li8Pd4 cuboctahedra, and faces with four equivalent Pd(1)Li12 cuboctahedra. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and three equivalent Pd(1) atoms. Pd(1) is bonded to three equivalent Li(1) and nine equivalent Li(2) atoms to form distorted PdLi12 cuboctahedra that share corners with six equivalent Li(1)Li8Pd4 cuboctahedra, edges with six equivalent Pd(1)Li12 cuboctahedra, faces with three equivalent Li(1)Li8Pd4 cuboctahedra, and faces with five equivalent Pd(1)Li12 cuboctahedra. is represented by the CIF file [CIF]
data_Li15Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.144
_cell_length_b   9.144
_cell_length_c   9.144
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   588.566
_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
  Li  Li0  1  0.375  0.750  0.625  1.0
  Li  Li1  1  0.125  0.250  0.875  1.0
  Li  Li2  1  0.750  0.625  0.375  1.0
  Li  Li3  1  0.250  0.875  0.125  1.0
  Li  Li4  1  0.625  0.375  0.750  1.0
  Li  Li5  1  0.875  0.125  0.250  1.0
  Li  Li6  1  0.275  0.195  0.659  1.0
  Li  Li7  1  0.964  0.305  0.080  1.0
  Li  Li8  1  0.536  0.116  0.841  1.0
  Li  Li9  1  0.225  0.384  0.420  1.0
  Li  Li10  1  0.159  0.695  0.775  1.0
  Li  Li11  1  0.580  0.805  0.464  1.0
  Li  Li12  1  0.341  0.616  0.036  1.0
  Li  Li13  1  0.920  0.884  0.725  1.0
  Li  Li14  1  0.195  0.659  0.275  1.0
  Li  Li15  1  0.305  0.080  0.964  1.0
  Li  Li16  1  0.116  0.841  0.536  1.0
  Li  Li17  1  0.384  0.420  0.225  1.0
  Li  Li18  1  0.695  0.775  0.159  1.0
  Li  Li19  1  0.805  0.464  0.580  1.0
  Li  Li20  1  0.616  0.036  0.341  1.0
  Li  Li21  1  0.884  0.725  0.920  1.0
  Li  Li22  1  0.659  0.275  0.195  1.0
  Li  Li23  1  0.080  0.964  0.305  1.0
  Li  Li24  1  0.841  0.536  0.116  1.0
  Li  Li25  1  0.420  0.225  0.384  1.0
  Li  Li26  1  0.775  0.159  0.695  1.0
  Li  Li27  1  0.464  0.580  0.805  1.0
  Li  Li28  1  0.036  0.341  0.616  1.0
  Li  Li29  1  0.725  0.920  0.884  1.0
  Pd  Pd30  1  0.412  0.000  0.500  1.0
  Pd  Pd31  1  0.000  0.500  0.412  1.0
  Pd  Pd32  1  0.500  0.412  0.000  1.0
  Pd  Pd33  1  0.088  0.088  0.088  1.0
  Pd  Pd34  1  0.000  0.500  0.912  1.0
  Pd  Pd35  1  0.912  0.000  0.500  1.0
  Pd  Pd36  1  0.500  0.912  0.000  1.0
  Pd  Pd37  1  0.588  0.588  0.588  1.0
[/CIF]
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