The material described by Pd3Mn crystallizes in the trigonal R-3m space group. Mn(1) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to three equivalent Mn(1) and three equivalent Pd(2) atoms. In the second Pd site, Pd(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form a mixture of corner, edge, and face-sharing PdPd12 cuboctahedra. is represented by the CIF card [CIF]
data_MnPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.926
_cell_length_b   8.926
_cell_length_c   8.926
_cell_angle_alpha   18.348
_cell_angle_beta   18.348
_cell_angle_gamma   18.348
_symmetry_Int_Tables_number   1
_cell_volume   61.549
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.255  0.255  0.255  1.0
  Pd  Pd2  1  0.500  0.500  0.500  1.0
  Pd  Pd3  1  0.745  0.745  0.745  1.0
[/CIF]
.
The material described by Pd3Mn crystallizes in the trigonal R-3m space group. Mn(1) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to three equivalent Mn(1) and three equivalent Pd(2) atoms. In the second Pd site, Pd(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form a mixture of corner, edge, and face-sharing PdPd12 cuboctahedra. is represented by the CIF card [CIF]
data_MnPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.926
_cell_length_b   8.926
_cell_length_c   8.926
_cell_angle_alpha   18.348
_cell_angle_beta   18.348
_cell_angle_gamma   18.348
_symmetry_Int_Tables_number   1
_cell_volume   61.549
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.255  0.255  0.255  1.0
  Pd  Pd2  1  0.500  0.500  0.500  1.0
  Pd  Pd3  1  0.745  0.745  0.745  1.0
[/CIF]
.