The material described by Pd3(PbSe)2 crystallizes in the trigonal R-3m space group. Pd(1) is bonded in a distorted linear geometry to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Se(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to six equivalent Pd(1) and two equivalent Se(1) atoms to form corner-sharing PbPd6Se2 hexagonal bipyramids. In the second Pb site, Pb(2) is bonded in a distorted hexagonal planar geometry to six equivalent Pd(1) atoms. Se(1) is bonded in a 4-coordinate geometry to three equivalent Pd(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pd3(PbSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.993
_cell_length_b   5.993
_cell_length_c   5.993
_cell_angle_alpha   60.208
_cell_angle_beta   60.208
_cell_angle_gamma   60.208
_symmetry_Int_Tables_number   1
_cell_volume   152.936
_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
  Pd  Pd0  1  0.500  0.500  0.000  1.0
  Pd  Pd1  1  0.000  0.500  0.500  1.0
  Pd  Pd2  1  0.500  0.000  0.500  1.0
  Pb  Pb3  1  0.000  0.000  0.000  1.0
  Pb  Pb4  1  0.500  0.500  0.500  1.0
  Se  Se5  1  0.786  0.786  0.786  1.0
  Se  Se6  1  0.214  0.214  0.214  1.0
[/CIF]
.
The material described by Pd3(PbSe)2 crystallizes in the trigonal R-3m space group. Pd(1) is bonded in a distorted linear geometry to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Se(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to six equivalent Pd(1) and two equivalent Se(1) atoms to form corner-sharing PbPd6Se2 hexagonal bipyramids. In the second Pb site, Pb(2) is bonded in a distorted hexagonal planar geometry to six equivalent Pd(1) atoms. Se(1) is bonded in a 4-coordinate geometry to three equivalent Pd(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pd3(PbSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.993
_cell_length_b   5.993
_cell_length_c   5.993
_cell_angle_alpha   60.208
_cell_angle_beta   60.208
_cell_angle_gamma   60.208
_symmetry_Int_Tables_number   1
_cell_volume   152.936
_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
  Pd  Pd0  1  0.500  0.500  0.000  1.0
  Pd  Pd1  1  0.000  0.500  0.500  1.0
  Pd  Pd2  1  0.500  0.000  0.500  1.0
  Pb  Pb3  1  0.000  0.000  0.000  1.0
  Pb  Pb4  1  0.500  0.500  0.500  1.0
  Se  Se5  1  0.786  0.786  0.786  1.0
  Se  Se6  1  0.214  0.214  0.214  1.0
[/CIF]
.