The structure described by Co3Sn2S2 crystallizes in the trigonal R-3m space group. Co(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 Co(1) and two equivalent S(1) atoms to form SnCo6S2 hexagonal bipyramids that share corners with six equivalent Sn(1)Co6S2 hexagonal bipyramids and edges with six equivalent Sn(2)Co6 cuboctahedra. In the second Sn site, Sn(2) is bonded to six equivalent Co(1) atoms to form distorted SnCo6 cuboctahedra that share corners with six equivalent Sn(2)Co6 cuboctahedra and edges with six equivalent Sn(1)Co6S2 hexagonal bipyramids. S(1) is bonded in a 4-coordinate geometry to three equivalent Co(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_Co3(SnS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   5.330
_cell_length_c   5.330
_cell_angle_alpha   60.398
_cell_angle_beta   60.397
_cell_angle_gamma   60.396
_symmetry_Int_Tables_number   1
_cell_volume   108.056
_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
  Co  Co0  1  0.500  0.000  0.000  1.0
  Co  Co1  1  0.000  0.500  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.500  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.720  0.720  0.720  1.0
  S  S6  1  0.280  0.280  0.280  1.0
[/CIF]
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The structure described by Co3Sn2S2 crystallizes in the trigonal R-3m space group. Co(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 Co(1) and two equivalent S(1) atoms to form SnCo6S2 hexagonal bipyramids that share corners with six equivalent Sn(1)Co6S2 hexagonal bipyramids and edges with six equivalent Sn(2)Co6 cuboctahedra. In the second Sn site, Sn(2) is bonded to six equivalent Co(1) atoms to form distorted SnCo6 cuboctahedra that share corners with six equivalent Sn(2)Co6 cuboctahedra and edges with six equivalent Sn(1)Co6S2 hexagonal bipyramids. S(1) is bonded in a 4-coordinate geometry to three equivalent Co(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_Co3(SnS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   5.330
_cell_length_c   5.330
_cell_angle_alpha   60.398
_cell_angle_beta   60.397
_cell_angle_gamma   60.396
_symmetry_Int_Tables_number   1
_cell_volume   108.056
_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
  Co  Co0  1  0.500  0.000  0.000  1.0
  Co  Co1  1  0.000  0.500  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.500  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.720  0.720  0.720  1.0
  S  S6  1  0.280  0.280  0.280  1.0
[/CIF]
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