The material structure described by Ni3Bi2S2 crystallizes in the trigonal R-3m space group. Ni(1) is bonded in a distorted linear geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent S(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to six equivalent Ni(1) and two equivalent S(1) atoms to form corner-sharing BiNi6S2 hexagonal bipyramids. In the second Bi site, Bi(2) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) atoms. S(1) is bonded in a 4-coordinate geometry to three equivalent Ni(1) and one Bi(1) atom. is represented by the CIF file [CIF]
data_Ni3(BiS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.550
_cell_length_b   5.550
_cell_length_c   5.550
_cell_angle_alpha   63.231
_cell_angle_beta   63.231
_cell_angle_gamma   63.231
_symmetry_Int_Tables_number   1
_cell_volume   129.518
_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
  Bi  Bi3  1  0.500  0.500  0.500  1.0
  Bi  Bi4  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 structure described by Ni3Bi2S2 crystallizes in the trigonal R-3m space group. Ni(1) is bonded in a distorted linear geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent S(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to six equivalent Ni(1) and two equivalent S(1) atoms to form corner-sharing BiNi6S2 hexagonal bipyramids. In the second Bi site, Bi(2) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) atoms. S(1) is bonded in a 4-coordinate geometry to three equivalent Ni(1) and one Bi(1) atom. is represented by the CIF file [CIF]
data_Ni3(BiS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.550
_cell_length_b   5.550
_cell_length_c   5.550
_cell_angle_alpha   63.231
_cell_angle_beta   63.231
_cell_angle_gamma   63.231
_symmetry_Int_Tables_number   1
_cell_volume   129.518
_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
  Bi  Bi3  1  0.500  0.500  0.500  1.0
  Bi  Bi4  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]
.