The material described by Rh3(PbSe)2 crystallizes in the trigonal R-3m space group. Rh(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 Rh(1) and two equivalent Se(1) atoms to form PbRh6Se2 hexagonal bipyramids that share corners with six equivalent Pb(1)Rh6Se2 hexagonal bipyramids and edges with six equivalent Pb(2)Rh6 cuboctahedra. In the second Pb site, Pb(2) is bonded to six equivalent Rh(1) atoms to form distorted PbRh6 cuboctahedra that share corners with six equivalent Pb(2)Rh6 cuboctahedra and edges with six equivalent Pb(1)Rh6Se2 hexagonal bipyramids. Se(1) is bonded in a 4-coordinate geometry to three equivalent Rh(1) and one Pb(1) atom. is represented by the CIF file [CIF]
data_Rh3(PbSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.917
_cell_length_c   5.917
_cell_angle_alpha   58.346
_cell_angle_beta   58.346
_cell_angle_gamma   58.346
_symmetry_Int_Tables_number   1
_cell_volume   140.959
_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
  Rh  Rh0  1  0.500  0.500  0.000  1.0
  Rh  Rh1  1  0.000  0.500  0.500  1.0
  Rh  Rh2  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  0.787  0.787  0.787  1.0
  Se  Se6  1  0.213  0.213  0.213  1.0
[/CIF]
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The material described by Rh3(PbSe)2 crystallizes in the trigonal R-3m space group. Rh(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 Rh(1) and two equivalent Se(1) atoms to form PbRh6Se2 hexagonal bipyramids that share corners with six equivalent Pb(1)Rh6Se2 hexagonal bipyramids and edges with six equivalent Pb(2)Rh6 cuboctahedra. In the second Pb site, Pb(2) is bonded to six equivalent Rh(1) atoms to form distorted PbRh6 cuboctahedra that share corners with six equivalent Pb(2)Rh6 cuboctahedra and edges with six equivalent Pb(1)Rh6Se2 hexagonal bipyramids. Se(1) is bonded in a 4-coordinate geometry to three equivalent Rh(1) and one Pb(1) atom. is represented by the CIF file [CIF]
data_Rh3(PbSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.917
_cell_length_c   5.917
_cell_angle_alpha   58.346
_cell_angle_beta   58.346
_cell_angle_gamma   58.346
_symmetry_Int_Tables_number   1
_cell_volume   140.959
_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
  Rh  Rh0  1  0.500  0.500  0.000  1.0
  Rh  Rh1  1  0.000  0.500  0.500  1.0
  Rh  Rh2  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  0.787  0.787  0.787  1.0
  Se  Se6  1  0.213  0.213  0.213  1.0
[/CIF]
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