The material structure described by Co3In2S2 crystallizes in the trigonal R-3m space group. Co(1) is bonded in a distorted linear geometry to two equivalent In(1), two equivalent In(2), and two equivalent S(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to six equivalent Co(1) and two equivalent S(1) atoms to form InCo6S2 hexagonal bipyramids that share corners with six equivalent In(1)Co6S2 hexagonal bipyramids and faces with six equivalent In(2)Co6S6 cuboctahedra. In the second In site, In(2) is bonded to six equivalent Co(1) and six equivalent S(1) atoms to form InCo6S6 cuboctahedra that share corners with six equivalent In(2)Co6S6 cuboctahedra, edges with six equivalent In(2)Co6S6 cuboctahedra, and faces with six equivalent In(1)Co6S2 hexagonal bipyramids. S(1) is bonded in a 3-coordinate geometry to three equivalent Co(1), one In(1), and three equivalent In(2) atoms. is represented by the CIF file [CIF]
data_In2Co3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.492
_cell_length_b   5.492
_cell_length_c   5.492
_cell_angle_alpha   57.418
_cell_angle_beta   57.420
_cell_angle_gamma   57.418
_symmetry_Int_Tables_number   1
_cell_volume   110.173
_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
  In  In0  1  0.500  0.500  0.500  1.0
  In  In1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.500  0.000  0.000  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  S  S5  1  0.722  0.722  0.722  1.0
  S  S6  1  0.278  0.278  0.278  1.0
[/CIF]
.
The material structure described by Co3In2S2 crystallizes in the trigonal R-3m space group. Co(1) is bonded in a distorted linear geometry to two equivalent In(1), two equivalent In(2), and two equivalent S(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to six equivalent Co(1) and two equivalent S(1) atoms to form InCo6S2 hexagonal bipyramids that share corners with six equivalent In(1)Co6S2 hexagonal bipyramids and faces with six equivalent In(2)Co6S6 cuboctahedra. In the second In site, In(2) is bonded to six equivalent Co(1) and six equivalent S(1) atoms to form InCo6S6 cuboctahedra that share corners with six equivalent In(2)Co6S6 cuboctahedra, edges with six equivalent In(2)Co6S6 cuboctahedra, and faces with six equivalent In(1)Co6S2 hexagonal bipyramids. S(1) is bonded in a 3-coordinate geometry to three equivalent Co(1), one In(1), and three equivalent In(2) atoms. is represented by the CIF file [CIF]
data_In2Co3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.492
_cell_length_b   5.492
_cell_length_c   5.492
_cell_angle_alpha   57.418
_cell_angle_beta   57.420
_cell_angle_gamma   57.418
_symmetry_Int_Tables_number   1
_cell_volume   110.173
_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
  In  In0  1  0.500  0.500  0.500  1.0
  In  In1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.500  0.000  0.000  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  S  S5  1  0.722  0.722  0.722  1.0
  S  S6  1  0.278  0.278  0.278  1.0
[/CIF]
.