The crystal structure described by Pd3Tl is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to eight equivalent Pd(2) and four equivalent Tl(1) atoms to form distorted PdTl4Pd8 cuboctahedra that share corners with twelve equivalent Pd(1)Tl4Pd8 cuboctahedra, edges with eight equivalent Tl(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(2)Tl4Pd8 cuboctahedra, faces with four equivalent Tl(1)Pd12 cuboctahedra, faces with six equivalent Pd(1)Tl4Pd8 cuboctahedra, and faces with eight equivalent Pd(2)Tl4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Tl(1) atoms to form distorted PdTl4Pd8 cuboctahedra that share corners with twelve equivalent Pd(2)Tl4Pd8 cuboctahedra, edges with eight equivalent Pd(1)Tl4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Tl4Pd8 cuboctahedra, edges with eight equivalent Tl(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Tl4Pd8 cuboctahedra, faces with four equivalent Tl(1)Pd12 cuboctahedra, and faces with ten equivalent Pd(2)Tl4Pd8 cuboctahedra. Tl(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(2) atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent Tl(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Tl4Pd8 cuboctahedra, edges with sixteen equivalent Pd(2)Tl4Pd8 cuboctahedra, faces with four equivalent Pd(1)Tl4Pd8 cuboctahedra, faces with six equivalent Tl(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(2)Tl4Pd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.065
_cell_length_b   4.048
_cell_length_c   4.048
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   66.608
_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
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.000  0.500  0.500  1.0
  Pd  Pd2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.500  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Pd3Tl is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to eight equivalent Pd(2) and four equivalent Tl(1) atoms to form distorted PdTl4Pd8 cuboctahedra that share corners with twelve equivalent Pd(1)Tl4Pd8 cuboctahedra, edges with eight equivalent Tl(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(2)Tl4Pd8 cuboctahedra, faces with four equivalent Tl(1)Pd12 cuboctahedra, faces with six equivalent Pd(1)Tl4Pd8 cuboctahedra, and faces with eight equivalent Pd(2)Tl4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Tl(1) atoms to form distorted PdTl4Pd8 cuboctahedra that share corners with twelve equivalent Pd(2)Tl4Pd8 cuboctahedra, edges with eight equivalent Pd(1)Tl4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Tl4Pd8 cuboctahedra, edges with eight equivalent Tl(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Tl4Pd8 cuboctahedra, faces with four equivalent Tl(1)Pd12 cuboctahedra, and faces with ten equivalent Pd(2)Tl4Pd8 cuboctahedra. Tl(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(2) atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent Tl(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Tl4Pd8 cuboctahedra, edges with sixteen equivalent Pd(2)Tl4Pd8 cuboctahedra, faces with four equivalent Pd(1)Tl4Pd8 cuboctahedra, faces with six equivalent Tl(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(2)Tl4Pd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.065
_cell_length_b   4.048
_cell_length_c   4.048
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   66.608
_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
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.000  0.500  0.500  1.0
  Pd  Pd2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.500  0.000  0.500  1.0
[/CIF]
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