The crystal structure described by Ni3Sn2S2 crystallizes in the trigonal R-3m space group. Ni(1) is bonded in a distorted linear geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent S(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent Ni(1) and two equivalent S(1) atoms to form corner-sharing SnNi6S2 hexagonal bipyramids. In the second Sn site, Sn(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 Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3(SnS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.391
_cell_length_b   5.391
_cell_length_c   5.391
_cell_angle_alpha   61.367
_cell_angle_beta   61.367
_cell_angle_gamma   61.367
_symmetry_Int_Tables_number   1
_cell_volume   114.191
_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  0.500  0.500  0.000  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.500  0.000  0.500  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  Sn  Sn4  1  0.500  0.500  0.500  1.0
  S  S5  1  0.221  0.221  0.221  1.0
  S  S6  1  0.779  0.779  0.779  1.0
[/CIF]
.
The crystal structure described by Ni3Sn2S2 crystallizes in the trigonal R-3m space group. Ni(1) is bonded in a distorted linear geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent S(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent Ni(1) and two equivalent S(1) atoms to form corner-sharing SnNi6S2 hexagonal bipyramids. In the second Sn site, Sn(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 Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3(SnS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.391
_cell_length_b   5.391
_cell_length_c   5.391
_cell_angle_alpha   61.367
_cell_angle_beta   61.367
_cell_angle_gamma   61.367
_symmetry_Int_Tables_number   1
_cell_volume   114.191
_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  0.500  0.500  0.000  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.500  0.000  0.500  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  Sn  Sn4  1  0.500  0.500  0.500  1.0
  S  S5  1  0.221  0.221  0.221  1.0
  S  S6  1  0.779  0.779  0.779  1.0
[/CIF]
.