The material described by AgIn(S0.5Se0.5)2 is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. Ag(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form AgSe2S2 tetrahedra that share corners with four equivalent Ag(1)Se2S2 tetrahedra and corners with eight equivalent In(1)Se2S2 tetrahedra. In(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form InSe2S2 tetrahedra that share corners with four equivalent In(1)Se2S2 tetrahedra and corners with eight equivalent Ag(1)Se2S2 tetrahedra. Se(1) is bonded to two equivalent Ag(1) and two equivalent In(1) atoms to form SeIn2Ag2 tetrahedra that share corners with four equivalent Se(1)In2Ag2 tetrahedra and corners with eight equivalent S(1)In2Ag2 tetrahedra. S(1) is bonded to two equivalent Ag(1) and two equivalent In(1) atoms to form SIn2Ag2 tetrahedra that share corners with four equivalent S(1)In2Ag2 tetrahedra and corners with eight equivalent Se(1)In2Ag2 tetrahedra. is represented by the CIF card [CIF]
data_InAgSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.304
_cell_length_b   7.304
_cell_length_c   7.304
_cell_angle_alpha   130.961
_cell_angle_beta   130.715
_cell_angle_gamma   72.070
_symmetry_Int_Tables_number   1
_cell_volume   218.076
_cell_formula_units_Z   2
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  0.130  0.880  0.250  1.0
  In  In1  1  0.370  0.620  0.750  1.0
  Ag  Ag2  1  0.633  0.383  0.250  1.0
  Ag  Ag3  1  0.867  0.117  0.750  1.0
  Se  Se4  1  0.250  0.503  0.253  1.0
  Se  Se5  1  0.750  0.997  0.247  1.0
  S  S6  1  0.487  0.250  0.737  1.0
  S  S7  1  0.013  0.750  0.763  1.0
[/CIF]
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The material described by AgIn(S0.5Se0.5)2 is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. Ag(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form AgSe2S2 tetrahedra that share corners with four equivalent Ag(1)Se2S2 tetrahedra and corners with eight equivalent In(1)Se2S2 tetrahedra. In(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form InSe2S2 tetrahedra that share corners with four equivalent In(1)Se2S2 tetrahedra and corners with eight equivalent Ag(1)Se2S2 tetrahedra. Se(1) is bonded to two equivalent Ag(1) and two equivalent In(1) atoms to form SeIn2Ag2 tetrahedra that share corners with four equivalent Se(1)In2Ag2 tetrahedra and corners with eight equivalent S(1)In2Ag2 tetrahedra. S(1) is bonded to two equivalent Ag(1) and two equivalent In(1) atoms to form SIn2Ag2 tetrahedra that share corners with four equivalent S(1)In2Ag2 tetrahedra and corners with eight equivalent Se(1)In2Ag2 tetrahedra. is represented by the CIF card [CIF]
data_InAgSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.304
_cell_length_b   7.304
_cell_length_c   7.304
_cell_angle_alpha   130.961
_cell_angle_beta   130.715
_cell_angle_gamma   72.070
_symmetry_Int_Tables_number   1
_cell_volume   218.076
_cell_formula_units_Z   2
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  0.130  0.880  0.250  1.0
  In  In1  1  0.370  0.620  0.750  1.0
  Ag  Ag2  1  0.633  0.383  0.250  1.0
  Ag  Ag3  1  0.867  0.117  0.750  1.0
  Se  Se4  1  0.250  0.503  0.253  1.0
  Se  Se5  1  0.750  0.997  0.247  1.0
  S  S6  1  0.487  0.250  0.737  1.0
  S  S7  1  0.013  0.750  0.763  1.0
[/CIF]
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