data_Tc3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc3Pd
_chemical_formula_sum   'Tc6 Pd2'
_cell_volume   118.81
_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  Tc2  1  0.46  0.69  0.0  1.0
  Tc  Tc3  1  0.46  0.23  0.0  1.0
  Tc  Tc4  1  0.69  0.0  0.46  1.0
  Tc  Tc5  1  0.0  0.46  0.69  1.0
  Tc  Tc6  1  0.0  0.46  0.23  1.0
  Tc  Tc7  1  0.23  0.0  0.46  1.0
  Pd  Pd0  1  0.46  0.46  0.46  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Tc3Pd
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Tc3Pd
_chemical_formula_sum   'Tc18 Pd6'
_cell_volume   356.43
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  -0.0  0.77  0.23  1.0
  Tc  Tc1  9  0.08  0.38  0.38  1.0
  Pd  Pd2  3  0.0  0.0  0.0  1.0
  Pd  Pd3  3  0.0  0.0  0.46  1.0

Tc Tc Tc Tc Tc Tc Pd Pd
Tc3Pd is beta Plutonium-derived structured and crystallizes in the trigonal R3 space group. There are eleven inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 14-coordinate geometry to four Tc(1,1,1); six Tc(2,2,2,2,2); two Pd(1,1); and two equivalent Pd(2) atoms. There are two shorter (2.95 Å) and two longer (3.28 Å) Tc(1)-Tc(1,1,1) bond lengths. There are a spread of Tc(1)-Tc(2,2,2,2,2) bond distances ranging from 2.25-3.28 Å. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(1)-Pd(1,1) bond length. There is one shorter (2.73 Å) and one longer (3.08 Å) Tc(1)-Pd(2) bond length. In the second Tc site, Tc(2) is bonded in a 14-coordinate geometry to four Tc(2,2,2,2); six Tc(1,1,1); two Pd(1,1); and two equivalent Pd(2) atoms. There are two shorter (2.76 Å) and two longer (3.10 Å) Tc(2)-Tc(2,2,2,2) bond lengths. There is one shorter (2.76 Å) and one longer (3.10 Å) Tc(2)-Tc(1,1) bond length. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(1,1) bond length. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(2) bond length. In the third Tc site, Tc(1) is bonded in a 14-coordinate geometry to four equivalent Tc(1); six Tc(2,2,2,2,2); two Pd(1,1); and two equivalent Pd(2) atoms. There are a spread of Tc(1)-Tc(2,2,2,2) bond distances ranging from 2.25-3.28 Å. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(1)-Pd(1,1) bond length. There is one shorter (2.73 Å) and one longer (3.08 Å) Tc(1)-Pd(2) bond length. In the fourth Tc site, Tc(2) is bonded in a 14-coordinate geometry to four Tc(2,2,2); six Tc(1,1,1); two Pd(1,1); and two equivalent Pd(2) atoms. There is one shorter (2.76 Å) and one longer (3.10 Å) Tc(2)-Tc(2,2) bond length. The Tc(2)-Tc(1) bond length is 2.95 Å. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(1,1) bond length. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(2) bond length. In the fifth Tc site, Tc(2) is bonded in a 14-coordinate geometry to four Tc(2,2,2,2); six Tc(1,1,1); two Pd(1,1); and two equivalent Pd(2) atoms. Both Tc(2)-Tc(2,2) bond lengths are 3.10 Å. The Tc(2)-Tc(1) bond length is 2.66 Å. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(1,1) bond length. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(2) bond length. In the sixth Tc site, Tc(2) is bonded in a 14-coordinate geometry to four Tc(2,2,2); six Tc(1,1,1); two Pd(1,1); and two equivalent Pd(2) atoms. Both Tc(2)-Tc(2,2) bond lengths are 2.76 Å. The Tc(2)-Tc(1) bond length is 2.76 Å. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(1,1) bond length. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(2) bond length. In the seventh Tc site, Tc(1) is bonded in a 14-coordinate geometry to four equivalent Tc(1); six Tc(2,2,2,2,2,2); two Pd(1,1); and two equivalent Pd(2) atoms. There are a spread of Tc(1)-Tc(2,2,2,2,2) bond distances ranging from 2.25-3.28 Å. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(1)-Pd(1,1) bond length. There is one shorter (2.73 Å) and one longer (3.08 Å) Tc(1)-Pd(2) bond length. In the eighth Tc site, Tc(2) is bonded in a 14-coordinate geometry to four Tc(2,2,2); six Tc(1,1,1); two Pd(1,1); and two equivalent Pd(2) atoms. The Tc(2)-Tc(2) bond length is 3.10 Å. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(1,1) bond length. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(2) bond length. In the ninth Tc site, Tc(2) is bonded in a 14-coordinate geometry to four Tc(2,2,2,2); six Tc(1,1,1); two Pd(1,1); and two equivalent Pd(2) atoms. There are two shorter (2.76 Å) and one longer (3.10 Å) Tc(2)-Tc(2,2,2) bond length. There are a spread of Tc(2)-Tc(1,1) bond distances ranging from 2.25-3.28 Å. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(1,1) bond length. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(2) bond length. In the tenth Tc site, Tc(1) is bonded in a 14-coordinate geometry to four equivalent Tc(1); six Tc(2,2,2,2,2); two Pd(1,1); and two equivalent Pd(2) atoms. There are two shorter (2.95 Å) and two longer (3.28 Å) Tc(1)-Tc(1) bond lengths. The Tc(1)-Tc(2) bond length is 2.25 Å. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(1)-Pd(1,1) bond length. There is one shorter (2.73 Å) and one longer (3.08 Å) Tc(1)-Pd(2) bond length. In the eleventh Tc site, Tc(2) is bonded in a 14-coordinate geometry to four Tc(2,2,2,2); six Tc(1,1,1); two Pd(1,1); and two equivalent Pd(2) atoms. The Tc(2)-Tc(2) bond length is 2.76 Å. There are a spread of Tc(2)-Tc(1) bond distances ranging from 2.76-3.28 Å. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(1,1) bond length. There is one shorter (2.52 Å) and one longer (2.89 Å) Tc(2)-Pd(2) bond length. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to six Tc(1,1,1) and six Tc(2,2,2,2,2) atoms to form a mixture of distorted edge and face-sharing PdTc12 cuboctahedra. In the second Pd site, Pd(2) is bonded to six Tc(1,1,1) and six Tc(2,2,2,2,2) atoms to form a mixture of distorted edge and face-sharing PdTc12 cuboctahedra. In the third Pd site, Pd(1) is bonded to six Tc(1,1,1) and six Tc(2,2,2,2,2,2) atoms to form a mixture of distorted edge and face-sharing PdTc12 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.89 Å) Pd(1)-Tc(1) bond lengths. There is one shorter (2.52 Å) and one longer (2.89 Å) Pd(1)-Tc(2,2) bond length. In the fourth Pd site, Pd(1) is bonded to six Tc(1,1,1) and six Tc(2,2,2,2,2) atoms to form a mixture of distorted edge and face-sharing PdTc12 cuboctahedra.