The crystal structure described by Ag2In2SiS6 crystallizes in the monoclinic Cc space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form AgS4 trigonal pyramids that share corners with two equivalent Ag(2)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, and corners with three equivalent In(2)S4 tetrahedra. In the second Ag site, Ag(2) is bonded to one S(1), one S(3), one S(5), and one S(6) atom to form distorted AgS4 tetrahedra that share corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, corners with three equivalent In(2)S4 tetrahedra, and corners with two equivalent Ag(1)S4 trigonal pyramids. There are two inequivalent In sites. In the first In site, In(1) is bonded to one S(1), one S(3), one S(4), and one S(6) atom to form InS4 tetrahedra that share corners with two equivalent In(2)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Ag(2)S4 tetrahedra, and corners with three equivalent Ag(1)S4 trigonal pyramids. In the second In site, In(2) is bonded to one S(1), one S(2), one S(3), and one S(5) atom to form InS4 tetrahedra that share corners with two equivalent In(1)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Ag(2)S4 tetrahedra, and corners with three equivalent Ag(1)S4 trigonal pyramids. Si(1) is bonded to one S(2), one S(4), one S(5), and one S(6) atom to form SiS4 tetrahedra that share corners with two equivalent Ag(2)S4 tetrahedra, corners with two equivalent In(1)S4 tetrahedra, corners with two equivalent In(2)S4 tetrahedra, and corners with two equivalent Ag(1)S4 trigonal pyramids. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1), one Ag(2), one In(1), and one In(2) atom to form corner-sharing SIn2Ag2 tetrahedra. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Ag(1), one In(2), and one Si(1) atom. In the third S site, S(3) is bonded to one Ag(1), one Ag(2), one In(1), and one In(2) atom to form corner-sharing SIn2Ag2 tetrahedra. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Ag(1), one In(1), and one Si(1) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Ag(2), one In(2), and one Si(1) atom. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Ag(2), one In(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_In2Si(AgS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.169
_cell_length_b   7.169
_cell_length_c   12.320
_cell_angle_alpha   73.382
_cell_angle_beta   73.382
_cell_angle_gamma   61.232
_symmetry_Int_Tables_number   1
_cell_volume   523.541
_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  0.304  0.174  0.233  1.0
  In  In1  1  0.514  0.325  0.431  1.0
  In  In2  1  0.325  0.514  0.931  1.0
  In  In3  1  0.174  0.304  0.733  1.0
  Si  Si4  1  0.941  0.403  0.490  1.0
  Si  Si5  1  0.403  0.941  0.990  1.0
  Ag  Ag6  1  0.812  0.389  0.079  1.0
  Ag  Ag7  1  0.987  0.806  0.237  1.0
  Ag  Ag8  1  0.389  0.812  0.579  1.0
  Ag  Ag9  1  0.806  0.987  0.737  1.0
  S  S10  1  0.649  0.170  0.249  1.0
  S  S11  1  0.652  0.597  0.416  1.0
  S  S12  1  0.066  0.518  0.118  1.0
  S  S13  1  0.104  0.099  0.434  1.0
  S  S14  1  0.597  0.652  0.916  1.0
  S  S15  1  0.170  0.649  0.749  1.0
  S  S16  1  0.115  0.594  0.440  1.0
  S  S17  1  0.518  0.066  0.618  1.0
  S  S18  1  0.355  0.845  0.173  1.0
  S  S19  1  0.845  0.355  0.673  1.0
  S  S20  1  0.099  0.104  0.934  1.0
  S  S21  1  0.594  0.115  0.940  1.0
[/CIF]
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The crystal structure described by Ag2In2SiS6 crystallizes in the monoclinic Cc space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form AgS4 trigonal pyramids that share corners with two equivalent Ag(2)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, and corners with three equivalent In(2)S4 tetrahedra. In the second Ag site, Ag(2) is bonded to one S(1), one S(3), one S(5), and one S(6) atom to form distorted AgS4 tetrahedra that share corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, corners with three equivalent In(2)S4 tetrahedra, and corners with two equivalent Ag(1)S4 trigonal pyramids. There are two inequivalent In sites. In the first In site, In(1) is bonded to one S(1), one S(3), one S(4), and one S(6) atom to form InS4 tetrahedra that share corners with two equivalent In(2)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Ag(2)S4 tetrahedra, and corners with three equivalent Ag(1)S4 trigonal pyramids. In the second In site, In(2) is bonded to one S(1), one S(2), one S(3), and one S(5) atom to form InS4 tetrahedra that share corners with two equivalent In(1)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Ag(2)S4 tetrahedra, and corners with three equivalent Ag(1)S4 trigonal pyramids. Si(1) is bonded to one S(2), one S(4), one S(5), and one S(6) atom to form SiS4 tetrahedra that share corners with two equivalent Ag(2)S4 tetrahedra, corners with two equivalent In(1)S4 tetrahedra, corners with two equivalent In(2)S4 tetrahedra, and corners with two equivalent Ag(1)S4 trigonal pyramids. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1), one Ag(2), one In(1), and one In(2) atom to form corner-sharing SIn2Ag2 tetrahedra. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Ag(1), one In(2), and one Si(1) atom. In the third S site, S(3) is bonded to one Ag(1), one Ag(2), one In(1), and one In(2) atom to form corner-sharing SIn2Ag2 tetrahedra. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Ag(1), one In(1), and one Si(1) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Ag(2), one In(2), and one Si(1) atom. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Ag(2), one In(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_In2Si(AgS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.169
_cell_length_b   7.169
_cell_length_c   12.320
_cell_angle_alpha   73.382
_cell_angle_beta   73.382
_cell_angle_gamma   61.232
_symmetry_Int_Tables_number   1
_cell_volume   523.541
_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  0.304  0.174  0.233  1.0
  In  In1  1  0.514  0.325  0.431  1.0
  In  In2  1  0.325  0.514  0.931  1.0
  In  In3  1  0.174  0.304  0.733  1.0
  Si  Si4  1  0.941  0.403  0.490  1.0
  Si  Si5  1  0.403  0.941  0.990  1.0
  Ag  Ag6  1  0.812  0.389  0.079  1.0
  Ag  Ag7  1  0.987  0.806  0.237  1.0
  Ag  Ag8  1  0.389  0.812  0.579  1.0
  Ag  Ag9  1  0.806  0.987  0.737  1.0
  S  S10  1  0.649  0.170  0.249  1.0
  S  S11  1  0.652  0.597  0.416  1.0
  S  S12  1  0.066  0.518  0.118  1.0
  S  S13  1  0.104  0.099  0.434  1.0
  S  S14  1  0.597  0.652  0.916  1.0
  S  S15  1  0.170  0.649  0.749  1.0
  S  S16  1  0.115  0.594  0.440  1.0
  S  S17  1  0.518  0.066  0.618  1.0
  S  S18  1  0.355  0.845  0.173  1.0
  S  S19  1  0.845  0.355  0.673  1.0
  S  S20  1  0.099  0.104  0.934  1.0
  S  S21  1  0.594  0.115  0.940  1.0
[/CIF]
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