The compound described by Ta3Pd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to four equivalent Ta(1), four equivalent Ta(2), and four equivalent Pd(1) atoms to form distorted TaTa8Pd4 cuboctahedra that share corners with twelve equivalent Ta(1)Ta8Pd4 cuboctahedra, edges with eight equivalent Ta(1)Ta8Pd4 cuboctahedra, edges with eight equivalent Pd(1)Ta12 cuboctahedra, faces with four equivalent Pd(1)Ta12 cuboctahedra, and faces with ten equivalent Ta(1)Ta8Pd4 cuboctahedra. In the second Ta site, Ta(2) is bonded in a distorted square co-planar geometry to eight equivalent Ta(1) and four equivalent Pd(1) atoms. Pd(1) is bonded to four equivalent Ta(2) and eight equivalent Ta(1) atoms to form PdTa12 cuboctahedra that share corners with four equivalent Pd(1)Ta12 cuboctahedra, edges with eight equivalent Pd(1)Ta12 cuboctahedra, edges with sixteen equivalent Ta(1)Ta8Pd4 cuboctahedra, faces with four equivalent Pd(1)Ta12 cuboctahedra, and faces with eight equivalent Ta(1)Ta8Pd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.148
_cell_length_b   5.148
_cell_length_c   5.148
_cell_angle_alpha   133.563
_cell_angle_beta   133.563
_cell_angle_gamma   67.772
_symmetry_Int_Tables_number   1
_cell_volume   70.412
_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  0.750  0.250  0.500  1.0
  Ta  Ta1  1  0.250  0.750  0.500  1.0
  Ta  Ta2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Ta3Pd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to four equivalent Ta(1), four equivalent Ta(2), and four equivalent Pd(1) atoms to form distorted TaTa8Pd4 cuboctahedra that share corners with twelve equivalent Ta(1)Ta8Pd4 cuboctahedra, edges with eight equivalent Ta(1)Ta8Pd4 cuboctahedra, edges with eight equivalent Pd(1)Ta12 cuboctahedra, faces with four equivalent Pd(1)Ta12 cuboctahedra, and faces with ten equivalent Ta(1)Ta8Pd4 cuboctahedra. In the second Ta site, Ta(2) is bonded in a distorted square co-planar geometry to eight equivalent Ta(1) and four equivalent Pd(1) atoms. Pd(1) is bonded to four equivalent Ta(2) and eight equivalent Ta(1) atoms to form PdTa12 cuboctahedra that share corners with four equivalent Pd(1)Ta12 cuboctahedra, edges with eight equivalent Pd(1)Ta12 cuboctahedra, edges with sixteen equivalent Ta(1)Ta8Pd4 cuboctahedra, faces with four equivalent Pd(1)Ta12 cuboctahedra, and faces with eight equivalent Ta(1)Ta8Pd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.148
_cell_length_b   5.148
_cell_length_c   5.148
_cell_angle_alpha   133.563
_cell_angle_beta   133.563
_cell_angle_gamma   67.772
_symmetry_Int_Tables_number   1
_cell_volume   70.412
_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  0.750  0.250  0.500  1.0
  Ta  Ta1  1  0.250  0.750  0.500  1.0
  Ta  Ta2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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