data_PdRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdRh3
_chemical_formula_sum   'Pd2 Rh6'
_cell_volume   120.94
_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
  Pd  Pd0  1  0.47  0.47  0.47  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.47  0.71  0.0  1.0
  Rh  Rh3  1  0.47  0.24  0.0  1.0
  Rh  Rh4  1  0.71  0.0  0.47  1.0
  Rh  Rh5  1  0.0  0.47  0.71  1.0
  Rh  Rh6  1  0.0  0.47  0.24  1.0
  Rh  Rh7  1  0.24  0.0  0.47  1.0

data_PdRh3
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   PdRh3
_chemical_formula_sum   'Pd6 Rh18'
_cell_volume   362.81
_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
  Pd  Pd0  3  0.0  0.0  0.0  1.0
  Pd  Pd1  3  0.0  0.0  0.47  1.0
  Rh  Rh2  9  -0.0  0.76  0.24  1.0
  Rh  Rh3  9  0.08  0.39  0.39  1.0

Pd Pd Rh Rh Rh Rh Rh Rh
Pd Pd Rh Rh Rh Rh Rh Rh 0 7 o o o 0 7 o + o 0 6 o o o 0 6 + o o 0 5 o o o 0 5 + o o 0 3 o o o 0 3 o o + 0 4 o o o 0 4 o + o 0 2 o o o 0 2 o o + 1 2 - - o 1 2 o - o 1 4 - o - 1 4 - o o 1 3 - o o 1 3 o o o 1 5 o - - 1 5 o o - 1 6 o - o 1 6 o o o 1 7 o o - 1 7 o o o 2 5 o o - 2 5 + o - 2 6 o o o 2 6 + o o 2 7 o + - 2 7 o + o 2 3 o o o 2 3 o + o 2 4 o + - 2 4 o + o 3 7 o o - 3 7 o o o 3 5 o o - 3 5 + o - 3 6 o o o 3 6 + o o 3 4 o o - 3 4 o o o 4 7 o o o 4 7 + o o 4 6 + - o 4 6 + o o 4 5 + - o 4 5 + o o 5 7 o o o 5 7 o + o 5 6 o o o 5 6 o o + 6 7 o o o 6 7 o + o 
PdRh3 is beta Uranium-derived structured and crystallizes in the trigonal R3 space group. There are thirteen inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 14-coordinate geometry to four Rh(1,1,1); six Rh(2,2,2,2,2,2); two equivalent Pd(1); and two equivalent Pd(2) atoms. There are two shorter (2.98 Å) and two longer (3.20 Å) Rh(1)-Rh(1,1,1) bond lengths. There are a spread of Rh(1)-Rh(2,2,2,2,2,2) bond distances ranging from 2.34-3.20 Å. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(1)-Pd(1) bond length. There is one shorter (2.74 Å) and one longer (2.98 Å) Rh(1)-Pd(2) bond length. In the second Rh site, Rh(2) is bonded in a 14-coordinate geometry to four Rh(2,2,2,2); six Rh(1,1,1,1); two equivalent Pd(1); and two equivalent Pd(2) atoms. There are two shorter (2.86 Å) and two longer (3.09 Å) Rh(2)-Rh(2,2,2,2) bond lengths. There are a spread of Rh(2)-Rh(1,1,1) bond distances ranging from 2.61-3.20 Å. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(1) bond length. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(2) bond length. In the third Rh site, Rh(1) is bonded in a 14-coordinate geometry to four Rh(1,1,1); six Rh(2,2,2,2,2,2); two equivalent Pd(1); and two equivalent Pd(2) atoms. There are two shorter (2.98 Å) and one longer (3.20 Å) Rh(1)-Rh(1,1) bond length. There are a spread of Rh(1)-Rh(2,2,2,2,2) bond distances ranging from 2.34-3.20 Å. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(1)-Pd(1) bond length. There is one shorter (2.74 Å) and one longer (2.98 Å) Rh(1)-Pd(2) bond length. In the fourth Rh site, Rh(1) is bonded in a 14-coordinate geometry to four Rh(1,1,1); six Rh(2,2,2,2,2,2); two equivalent Pd(1); and two equivalent Pd(2) atoms. The Rh(1)-Rh(1) bond length is 2.98 Å. There are a spread of Rh(1)-Rh(2,2,2,2,2) bond distances ranging from 2.34-3.09 Å. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(1)-Pd(1) bond length. There is one shorter (2.74 Å) and one longer (2.98 Å) Rh(1)-Pd(2) bond length. In the fifth Rh site, Rh(2) is bonded in a 14-coordinate geometry to four Rh(2,2,2,2); six Rh(1,1,1,1); two equivalent Pd(1); and two equivalent Pd(2) atoms. There is one shorter (2.86 Å) and two longer (3.09 Å) Rh(2)-Rh(2,2,2) bond lengths. The Rh(2)-Rh(1) bond length is 3.09 Å. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(1) bond length. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(2) bond length. In the sixth Rh site, Rh(2) is bonded in a 14-coordinate geometry to four Rh(2,2,2,2); six Rh(1,1,1,1); two equivalent Pd(1); and two equivalent Pd(2) atoms. Both Rh(2)-Rh(2,2) bond lengths are 3.09 Å. The Rh(2)-Rh(1) bond length is 2.98 Å. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(1) bond length. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(2) bond length. In the seventh Rh site, Rh(1) is bonded in a 14-coordinate geometry to four Rh(1,1,1); six Rh(2,2,2,2); two equivalent Pd(1); and two equivalent Pd(2) atoms. There is one shorter (2.98 Å) and one longer (3.20 Å) Rh(1)-Rh(1,1) bond length. There are a spread of Rh(1)-Rh(2,2,2,2) bond distances ranging from 2.34-3.20 Å. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(1)-Pd(1) bond length. There is one shorter (2.74 Å) and one longer (2.98 Å) Rh(1)-Pd(2) bond length. In the eighth Rh site, Rh(2) is bonded in a 14-coordinate geometry to four Rh(2,2,2,2); six Rh(1,1,1,1,1); two equivalent Pd(1); and two equivalent Pd(2) atoms. There are two shorter (2.86 Å) and one longer (3.09 Å) Rh(2)-Rh(2,2,2) bond length. The Rh(2)-Rh(1) bond length is 2.86 Å. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(1) bond length. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(2) bond length. In the ninth Rh site, Rh(1) is bonded in a 14-coordinate geometry to four Rh(1,1,1); six Rh(2,2,2,2); two equivalent Pd(1); and two equivalent Pd(2) atoms. There is one shorter (2.98 Å) and one longer (3.20 Å) Rh(1)-Rh(1) bond length. There are a spread of Rh(1)-Rh(2,2,2) bond distances ranging from 2.34-3.20 Å. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(1)-Pd(1) bond length. There is one shorter (2.74 Å) and one longer (2.98 Å) Rh(1)-Pd(2) bond length. In the tenth Rh site, Rh(2) is bonded in a 14-coordinate geometry to four Rh(2,2,2); six Rh(1,1,1,1,1); two equivalent Pd(1); and two equivalent Pd(2) atoms. There is one shorter (2.86 Å) and one longer (3.09 Å) Rh(2)-Rh(2) bond length. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(1) bond length. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(2) bond length. In the eleventh Rh site, Rh(2) is bonded in a 14-coordinate geometry to four Rh(2,2,2,2); six Rh(1,1,1,1,1); two equivalent Pd(1); and two equivalent Pd(2) atoms. The Rh(2)-Rh(2) bond length is 3.09 Å. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(1) bond length. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(2) bond length. In the twelfth Rh site, Rh(1) is bonded in a 14-coordinate geometry to four Rh(1,1); six Rh(2,2,2,2,2); two equivalent Pd(1); and two equivalent Pd(2) atoms. There is one shorter (2.98 Å) and one longer (3.20 Å) Rh(1)-Rh(1) bond length. There are a spread of Rh(1)-Rh(2,2) bond distances ranging from 2.34-3.20 Å. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(1)-Pd(1) bond length. There is one shorter (2.74 Å) and one longer (2.98 Å) Rh(1)-Pd(2) bond length. In the thirteenth Rh site, Rh(2) is bonded in a 14-coordinate geometry to four Rh(2,2,2); six Rh(1,1,1,1,1); two equivalent Pd(1); and two equivalent Pd(2) atoms. The Rh(2)-Rh(2) bond length is 2.86 Å. There are a spread of Rh(2)-Rh(1,1) bond distances ranging from 2.86-3.20 Å. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(1) bond length. There is one shorter (2.61 Å) and one longer (2.86 Å) Rh(2)-Pd(2) bond length. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to six Rh(1,1,1,1,1) and six Rh(2,2,2,2,2,2) atoms to form a mixture of edge and face-sharing PdRh12 cuboctahedra. In the second Pd site, Pd(2) is bonded to six Rh(1,1,1,1,1) and six Rh(2,2,2,2,2) atoms to form a mixture of edge and face-sharing PdRh12 cuboctahedra.