The material structure described by Tc3Pd crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to six equivalent Tc(1) and six equivalent Tc(2) atoms to form TcTc12 cuboctahedra that share corners with six equivalent Tc(1)Tc12 cuboctahedra, corners with twelve equivalent Pd(1)Tc6Pd6 cuboctahedra, edges with six equivalent Tc(1)Tc12 cuboctahedra, edges with twelve equivalent Tc(2)Tc9Pd3 cuboctahedra, faces with two equivalent Pd(1)Tc6Pd6 cuboctahedra, faces with six equivalent Tc(1)Tc12 cuboctahedra, and faces with twelve equivalent Tc(2)Tc9Pd3 cuboctahedra. In the second Tc site, Tc(2) is bonded to three equivalent Tc(1), six equivalent Tc(2), and three equivalent Pd(1) atoms to form TcTc9Pd3 cuboctahedra that share corners with eighteen equivalent Tc(2)Tc9Pd3 cuboctahedra, edges with six equivalent Tc(1)Tc12 cuboctahedra, edges with six equivalent Tc(2)Tc9Pd3 cuboctahedra, edges with six equivalent Pd(1)Tc6Pd6 cuboctahedra, faces with six equivalent Tc(1)Tc12 cuboctahedra, faces with six equivalent Pd(1)Tc6Pd6 cuboctahedra, and faces with eight equivalent Tc(2)Tc9Pd3 cuboctahedra. Pd(1) is bonded to six equivalent Tc(2) and six equivalent Pd(1) atoms to form PdTc6Pd6 cuboctahedra that share corners with six equivalent Pd(1)Tc6Pd6 cuboctahedra, corners with twelve equivalent Tc(1)Tc12 cuboctahedra, edges with six equivalent Pd(1)Tc6Pd6 cuboctahedra, edges with twelve equivalent Tc(2)Tc9Pd3 cuboctahedra, faces with two equivalent Tc(1)Tc12 cuboctahedra, faces with six equivalent Pd(1)Tc6Pd6 cuboctahedra, and faces with twelve equivalent Tc(2)Tc9Pd3 cuboctahedra. is represented by the CIF card [CIF]
data_Tc3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.752
_cell_length_b   2.752
_cell_length_c   8.965
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   58.795
_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
  Tc  Tc0  1  0.333  0.667  0.000  1.0
  Tc  Tc1  1  0.667  0.333  0.756  1.0
  Tc  Tc2  1  0.667  0.333  0.244  1.0
  Pd  Pd3  1  0.333  0.667  0.500  1.0
[/CIF]
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The material structure described by Tc3Pd crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to six equivalent Tc(1) and six equivalent Tc(2) atoms to form TcTc12 cuboctahedra that share corners with six equivalent Tc(1)Tc12 cuboctahedra, corners with twelve equivalent Pd(1)Tc6Pd6 cuboctahedra, edges with six equivalent Tc(1)Tc12 cuboctahedra, edges with twelve equivalent Tc(2)Tc9Pd3 cuboctahedra, faces with two equivalent Pd(1)Tc6Pd6 cuboctahedra, faces with six equivalent Tc(1)Tc12 cuboctahedra, and faces with twelve equivalent Tc(2)Tc9Pd3 cuboctahedra. In the second Tc site, Tc(2) is bonded to three equivalent Tc(1), six equivalent Tc(2), and three equivalent Pd(1) atoms to form TcTc9Pd3 cuboctahedra that share corners with eighteen equivalent Tc(2)Tc9Pd3 cuboctahedra, edges with six equivalent Tc(1)Tc12 cuboctahedra, edges with six equivalent Tc(2)Tc9Pd3 cuboctahedra, edges with six equivalent Pd(1)Tc6Pd6 cuboctahedra, faces with six equivalent Tc(1)Tc12 cuboctahedra, faces with six equivalent Pd(1)Tc6Pd6 cuboctahedra, and faces with eight equivalent Tc(2)Tc9Pd3 cuboctahedra. Pd(1) is bonded to six equivalent Tc(2) and six equivalent Pd(1) atoms to form PdTc6Pd6 cuboctahedra that share corners with six equivalent Pd(1)Tc6Pd6 cuboctahedra, corners with twelve equivalent Tc(1)Tc12 cuboctahedra, edges with six equivalent Pd(1)Tc6Pd6 cuboctahedra, edges with twelve equivalent Tc(2)Tc9Pd3 cuboctahedra, faces with two equivalent Tc(1)Tc12 cuboctahedra, faces with six equivalent Pd(1)Tc6Pd6 cuboctahedra, and faces with twelve equivalent Tc(2)Tc9Pd3 cuboctahedra. is represented by the CIF card [CIF]
data_Tc3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.752
_cell_length_b   2.752
_cell_length_c   8.965
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   58.795
_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
  Tc  Tc0  1  0.333  0.667  0.000  1.0
  Tc  Tc1  1  0.667  0.333  0.756  1.0
  Tc  Tc2  1  0.667  0.333  0.244  1.0
  Pd  Pd3  1  0.333  0.667  0.500  1.0
[/CIF]
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