The material described by Co3SnInS2 crystallizes in the trigonal R-3m space group. Co(1) is bonded in a distorted linear geometry to two equivalent In(1), two equivalent Sn(1), and two equivalent S(1) atoms. In(1) is bonded to six equivalent Co(1) and six equivalent S(1) atoms to form InCo6S6 cuboctahedra that share corners with six equivalent In(1)Co6S6 cuboctahedra, edges with six equivalent In(1)Co6S6 cuboctahedra, and faces with six equivalent Sn(1)Co6S2 hexagonal bipyramids. 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 faces with six equivalent In(1)Co6S6 cuboctahedra. S(1) is bonded in a 3-coordinate geometry to three equivalent Co(1), three equivalent In(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_InCo3SnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.490
_cell_length_b   5.490
_cell_length_c   5.490
_cell_angle_alpha   57.849
_cell_angle_beta   57.849
_cell_angle_gamma   57.849
_symmetry_Int_Tables_number   1
_cell_volume   111.225
_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
  Co  Co1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.779  0.779  0.779  1.0
  S  S6  1  0.221  0.221  0.221  1.0
[/CIF]
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The material described by Co3SnInS2 crystallizes in the trigonal R-3m space group. Co(1) is bonded in a distorted linear geometry to two equivalent In(1), two equivalent Sn(1), and two equivalent S(1) atoms. In(1) is bonded to six equivalent Co(1) and six equivalent S(1) atoms to form InCo6S6 cuboctahedra that share corners with six equivalent In(1)Co6S6 cuboctahedra, edges with six equivalent In(1)Co6S6 cuboctahedra, and faces with six equivalent Sn(1)Co6S2 hexagonal bipyramids. 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 faces with six equivalent In(1)Co6S6 cuboctahedra. S(1) is bonded in a 3-coordinate geometry to three equivalent Co(1), three equivalent In(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_InCo3SnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.490
_cell_length_b   5.490
_cell_length_c   5.490
_cell_angle_alpha   57.849
_cell_angle_beta   57.849
_cell_angle_gamma   57.849
_symmetry_Int_Tables_number   1
_cell_volume   111.225
_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
  Co  Co1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.779  0.779  0.779  1.0
  S  S6  1  0.221  0.221  0.221  1.0
[/CIF]
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