The material described by Tc3Pd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Tc(1) is bonded to eight equivalent Tc(1) and four equivalent Pd(1) atoms to form distorted TcTc8Pd4 cuboctahedra that share corners with four equivalent Pd(1)Tc12 cuboctahedra, corners with fourteen equivalent Tc(1)Tc8Pd4 cuboctahedra, edges with six equivalent Pd(1)Tc12 cuboctahedra, edges with twelve equivalent Tc(1)Tc8Pd4 cuboctahedra, faces with four equivalent Pd(1)Tc12 cuboctahedra, and faces with sixteen equivalent Tc(1)Tc8Pd4 cuboctahedra. Pd(1) is bonded to twelve equivalent Tc(1) atoms to form PdTc12 cuboctahedra that share corners with six equivalent Pd(1)Tc12 cuboctahedra, corners with twelve equivalent Tc(1)Tc8Pd4 cuboctahedra, edges with eighteen equivalent Tc(1)Tc8Pd4 cuboctahedra, faces with eight equivalent Pd(1)Tc12 cuboctahedra, and faces with twelve equivalent Tc(1)Tc8Pd4 cuboctahedra. is represented by the CIF card [CIF]
data_Tc3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.500
_cell_length_b   5.500
_cell_length_c   4.371
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   114.478
_cell_formula_units_Z   2
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  0.842  0.158  0.750  1.0
  Tc  Tc1  1  0.315  0.158  0.750  1.0
  Tc  Tc2  1  0.842  0.685  0.750  1.0
  Tc  Tc3  1  0.158  0.842  0.250  1.0
  Tc  Tc4  1  0.685  0.842  0.250  1.0
  Tc  Tc5  1  0.158  0.315  0.250  1.0
  Pd  Pd6  1  0.667  0.333  0.250  1.0
  Pd  Pd7  1  0.333  0.667  0.750  1.0
[/CIF]
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The material described by Tc3Pd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Tc(1) is bonded to eight equivalent Tc(1) and four equivalent Pd(1) atoms to form distorted TcTc8Pd4 cuboctahedra that share corners with four equivalent Pd(1)Tc12 cuboctahedra, corners with fourteen equivalent Tc(1)Tc8Pd4 cuboctahedra, edges with six equivalent Pd(1)Tc12 cuboctahedra, edges with twelve equivalent Tc(1)Tc8Pd4 cuboctahedra, faces with four equivalent Pd(1)Tc12 cuboctahedra, and faces with sixteen equivalent Tc(1)Tc8Pd4 cuboctahedra. Pd(1) is bonded to twelve equivalent Tc(1) atoms to form PdTc12 cuboctahedra that share corners with six equivalent Pd(1)Tc12 cuboctahedra, corners with twelve equivalent Tc(1)Tc8Pd4 cuboctahedra, edges with eighteen equivalent Tc(1)Tc8Pd4 cuboctahedra, faces with eight equivalent Pd(1)Tc12 cuboctahedra, and faces with twelve equivalent Tc(1)Tc8Pd4 cuboctahedra. is represented by the CIF card [CIF]
data_Tc3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.500
_cell_length_b   5.500
_cell_length_c   4.371
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   114.478
_cell_formula_units_Z   2
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  0.842  0.158  0.750  1.0
  Tc  Tc1  1  0.315  0.158  0.750  1.0
  Tc  Tc2  1  0.842  0.685  0.750  1.0
  Tc  Tc3  1  0.158  0.842  0.250  1.0
  Tc  Tc4  1  0.685  0.842  0.250  1.0
  Tc  Tc5  1  0.158  0.315  0.250  1.0
  Pd  Pd6  1  0.667  0.333  0.250  1.0
  Pd  Pd7  1  0.333  0.667  0.750  1.0
[/CIF]
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