The material described by In2S3 crystallizes in the orthorhombic Imm2 space group. In(1) is bonded to one S(2) and three equivalent S(1) atoms to form corner-sharing InS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to three equivalent In(1) atoms. In the second S site, S(2) is bonded in a water-like geometry to two equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.947
_cell_length_b   6.947
_cell_length_c   6.947
_cell_angle_alpha   146.803
_cell_angle_beta   132.594
_cell_angle_gamma   59.096
_symmetry_Int_Tables_number   1
_cell_volume   133.950
_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  0.665  0.657  0.008  1.0
  In  In1  1  0.351  0.343  0.008  1.0
  S  S2  1  0.394  0.163  0.231  1.0
  S  S3  1  0.069  0.837  0.231  1.0
  S  S4  1  0.770  0.500  0.270  1.0
[/CIF]
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The material described by In2S3 crystallizes in the orthorhombic Imm2 space group. In(1) is bonded to one S(2) and three equivalent S(1) atoms to form corner-sharing InS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to three equivalent In(1) atoms. In the second S site, S(2) is bonded in a water-like geometry to two equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.947
_cell_length_b   6.947
_cell_length_c   6.947
_cell_angle_alpha   146.803
_cell_angle_beta   132.594
_cell_angle_gamma   59.096
_symmetry_Int_Tables_number   1
_cell_volume   133.950
_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  0.665  0.657  0.008  1.0
  In  In1  1  0.351  0.343  0.008  1.0
  S  S2  1  0.394  0.163  0.231  1.0
  S  S3  1  0.069  0.837  0.231  1.0
  S  S4  1  0.770  0.500  0.270  1.0
[/CIF]
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