The material structure described by Pd3Ta is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ta(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(2) atoms to form TaPd12 cuboctahedra that share corners with four equivalent Ta(1)Pd12 cuboctahedra, edges with eight equivalent Ta(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(2)Ta4Pd8 cuboctahedra, faces with four equivalent Ta(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(2)Ta4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to four equivalent Ta(1) and eight equivalent Pd(2) atoms. In the second Pd site, Pd(2) is bonded to four equivalent Ta(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdTa4Pd8 cuboctahedra that share corners with twelve equivalent Pd(2)Ta4Pd8 cuboctahedra, edges with eight equivalent Ta(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Ta4Pd8 cuboctahedra, faces with four equivalent Ta(1)Pd12 cuboctahedra, and faces with ten equivalent Pd(2)Ta4Pd8 cuboctahedra. is represented by the CIF file [CIF]
data_TaPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.904
_cell_length_b   3.904
_cell_length_c   4.863
_cell_angle_alpha   113.669
_cell_angle_beta   113.669
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   61.019
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.500  0.500  0.000  1.0
  Pd  Pd2  1  0.250  0.750  0.500  1.0
  Pd  Pd3  1  0.750  0.250  0.500  1.0
[/CIF]
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The material structure described by Pd3Ta is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Ta(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(2) atoms to form TaPd12 cuboctahedra that share corners with four equivalent Ta(1)Pd12 cuboctahedra, edges with eight equivalent Ta(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(2)Ta4Pd8 cuboctahedra, faces with four equivalent Ta(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(2)Ta4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to four equivalent Ta(1) and eight equivalent Pd(2) atoms. In the second Pd site, Pd(2) is bonded to four equivalent Ta(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdTa4Pd8 cuboctahedra that share corners with twelve equivalent Pd(2)Ta4Pd8 cuboctahedra, edges with eight equivalent Ta(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Ta4Pd8 cuboctahedra, faces with four equivalent Ta(1)Pd12 cuboctahedra, and faces with ten equivalent Pd(2)Ta4Pd8 cuboctahedra. is represented by the CIF file [CIF]
data_TaPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.904
_cell_length_b   3.904
_cell_length_c   4.863
_cell_angle_alpha   113.669
_cell_angle_beta   113.669
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   61.019
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.500  0.500  0.000  1.0
  Pd  Pd2  1  0.250  0.750  0.500  1.0
  Pd  Pd3  1  0.750  0.250  0.500  1.0
[/CIF]
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