The structure described by LiPd2Tl is Heusler structured and crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to eight equivalent Pd(1) and four equivalent Tl(1) atoms to form LiTl4Pd8 cuboctahedra that share corners with four equivalent Li(1)Tl4Pd8 cuboctahedra, corners with eight equivalent Tl(1)Li4Pd8 cuboctahedra, edges with eight equivalent Li(1)Tl4Pd8 cuboctahedra, faces with four equivalent Li(1)Tl4Pd8 cuboctahedra, and faces with six equivalent Tl(1)Li4Pd8 cuboctahedra. Pd(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Tl(1) atoms. Tl(1) is bonded to four equivalent Li(1) and eight equivalent Pd(1) atoms to form TlLi4Pd8 cuboctahedra that share corners with four equivalent Tl(1)Li4Pd8 cuboctahedra, corners with eight equivalent Li(1)Tl4Pd8 cuboctahedra, edges with eight equivalent Tl(1)Li4Pd8 cuboctahedra, faces with four equivalent Tl(1)Li4Pd8 cuboctahedra, and faces with six equivalent Li(1)Tl4Pd8 cuboctahedra. is represented by the CIF card [CIF]
data_LiTlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.769
_cell_length_b   4.769
_cell_length_c   4.769
_cell_angle_alpha   128.380
_cell_angle_beta   128.380
_cell_angle_gamma   76.009
_symmetry_Int_Tables_number   1
_cell_volume   64.800
_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  0.000  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Pd  Pd2  1  0.750  0.250  0.500  1.0
  Pd  Pd3  1  0.250  0.750  0.500  1.0
[/CIF]
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The structure described by LiPd2Tl is Heusler structured and crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to eight equivalent Pd(1) and four equivalent Tl(1) atoms to form LiTl4Pd8 cuboctahedra that share corners with four equivalent Li(1)Tl4Pd8 cuboctahedra, corners with eight equivalent Tl(1)Li4Pd8 cuboctahedra, edges with eight equivalent Li(1)Tl4Pd8 cuboctahedra, faces with four equivalent Li(1)Tl4Pd8 cuboctahedra, and faces with six equivalent Tl(1)Li4Pd8 cuboctahedra. Pd(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Tl(1) atoms. Tl(1) is bonded to four equivalent Li(1) and eight equivalent Pd(1) atoms to form TlLi4Pd8 cuboctahedra that share corners with four equivalent Tl(1)Li4Pd8 cuboctahedra, corners with eight equivalent Li(1)Tl4Pd8 cuboctahedra, edges with eight equivalent Tl(1)Li4Pd8 cuboctahedra, faces with four equivalent Tl(1)Li4Pd8 cuboctahedra, and faces with six equivalent Li(1)Tl4Pd8 cuboctahedra. is represented by the CIF card [CIF]
data_LiTlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.769
_cell_length_b   4.769
_cell_length_c   4.769
_cell_angle_alpha   128.380
_cell_angle_beta   128.380
_cell_angle_gamma   76.009
_symmetry_Int_Tables_number   1
_cell_volume   64.800
_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  0.000  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Pd  Pd2  1  0.750  0.250  0.500  1.0
  Pd  Pd3  1  0.250  0.750  0.500  1.0
[/CIF]
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