The material described by Ni3Pb2S2 crystallizes in the trigonal R-3m space group. Ni(1) is bonded in a distorted linear geometry to two equivalent Pb(1), two equivalent Pb(2), and two equivalent S(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to six equivalent Ni(1) and two equivalent S(1) atoms to form corner-sharing PbNi6S2 hexagonal bipyramids. In the second Pb site, Pb(2) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) atoms. S(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) and one Pb(1) atom. is represented by the CIF file [CIF]
data_Ni3(PbS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.579
_cell_length_b   5.579
_cell_length_c   5.579
_cell_angle_alpha   60.633
_cell_angle_beta   60.634
_cell_angle_gamma   60.634
_symmetry_Int_Tables_number   1
_cell_volume   124.526
_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
  Ni  Ni0  1  0.000  0.000  0.500  1.0
  Ni  Ni1  1  0.500  0.000  0.000  1.0
  Ni  Ni2  1  0.000  0.500  0.000  1.0
  Pb  Pb3  1  0.500  0.500  0.500  1.0
  Pb  Pb4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.728  0.728  0.728  1.0
  S  S6  1  0.272  0.272  0.272  1.0
[/CIF]
.
The material described by Ni3Pb2S2 crystallizes in the trigonal R-3m space group. Ni(1) is bonded in a distorted linear geometry to two equivalent Pb(1), two equivalent Pb(2), and two equivalent S(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to six equivalent Ni(1) and two equivalent S(1) atoms to form corner-sharing PbNi6S2 hexagonal bipyramids. In the second Pb site, Pb(2) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) atoms. S(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) and one Pb(1) atom. is represented by the CIF file [CIF]
data_Ni3(PbS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.579
_cell_length_b   5.579
_cell_length_c   5.579
_cell_angle_alpha   60.633
_cell_angle_beta   60.634
_cell_angle_gamma   60.634
_symmetry_Int_Tables_number   1
_cell_volume   124.526
_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
  Ni  Ni0  1  0.000  0.000  0.500  1.0
  Ni  Ni1  1  0.500  0.000  0.000  1.0
  Ni  Ni2  1  0.000  0.500  0.000  1.0
  Pb  Pb3  1  0.500  0.500  0.500  1.0
  Pb  Pb4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.728  0.728  0.728  1.0
  S  S6  1  0.272  0.272  0.272  1.0
[/CIF]
.