The compound described by KAgTeS3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. Ag(1) is bonded in a distorted see-saw-like geometry to one S(2), one S(3), and two equivalent S(1) atoms. Te(1) is bonded in a trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Ag(1), and one Te(1) atom. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Ag(1), and one Te(1) atom. In the third S site, S(3) is bonded to three equivalent K(1), one Ag(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing SK3AgTe trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAgTeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.480
_cell_length_b   6.383
_cell_length_c   8.659
_cell_angle_alpha   48.279
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   679.835
_cell_formula_units_Z   4
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
  K  K0  1  0.603  0.754  0.225  1.0
  K  K1  1  0.397  0.246  0.775  1.0
  K  K2  1  0.103  0.246  0.275  1.0
  K  K3  1  0.897  0.754  0.725  1.0
  Ag  Ag4  1  0.757  0.277  0.206  1.0
  Ag  Ag5  1  0.243  0.723  0.794  1.0
  Ag  Ag6  1  0.257  0.723  0.294  1.0
  Ag  Ag7  1  0.743  0.277  0.706  1.0
  Te  Te8  1  0.911  0.758  0.228  1.0
  Te  Te9  1  0.089  0.242  0.772  1.0
  Te  Te10  1  0.411  0.242  0.272  1.0
  Te  Te11  1  0.589  0.758  0.728  1.0
  S  S12  1  0.786  0.783  0.077  1.0
  S  S13  1  0.214  0.217  0.923  1.0
  S  S14  1  0.286  0.217  0.423  1.0
  S  S15  1  0.714  0.783  0.577  1.0
  S  S16  1  0.611  0.370  0.087  1.0
  S  S17  1  0.389  0.630  0.913  1.0
  S  S18  1  0.111  0.630  0.413  1.0
  S  S19  1  0.889  0.370  0.587  1.0
  S  S20  1  0.403  0.849  0.293  1.0
  S  S21  1  0.597  0.151  0.707  1.0
  S  S22  1  0.903  0.151  0.207  1.0
  S  S23  1  0.097  0.849  0.793  1.0
[/CIF]
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The compound described by KAgTeS3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. Ag(1) is bonded in a distorted see-saw-like geometry to one S(2), one S(3), and two equivalent S(1) atoms. Te(1) is bonded in a trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Ag(1), and one Te(1) atom. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Ag(1), and one Te(1) atom. In the third S site, S(3) is bonded to three equivalent K(1), one Ag(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing SK3AgTe trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAgTeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.480
_cell_length_b   6.383
_cell_length_c   8.659
_cell_angle_alpha   48.279
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   679.835
_cell_formula_units_Z   4
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
  K  K0  1  0.603  0.754  0.225  1.0
  K  K1  1  0.397  0.246  0.775  1.0
  K  K2  1  0.103  0.246  0.275  1.0
  K  K3  1  0.897  0.754  0.725  1.0
  Ag  Ag4  1  0.757  0.277  0.206  1.0
  Ag  Ag5  1  0.243  0.723  0.794  1.0
  Ag  Ag6  1  0.257  0.723  0.294  1.0
  Ag  Ag7  1  0.743  0.277  0.706  1.0
  Te  Te8  1  0.911  0.758  0.228  1.0
  Te  Te9  1  0.089  0.242  0.772  1.0
  Te  Te10  1  0.411  0.242  0.272  1.0
  Te  Te11  1  0.589  0.758  0.728  1.0
  S  S12  1  0.786  0.783  0.077  1.0
  S  S13  1  0.214  0.217  0.923  1.0
  S  S14  1  0.286  0.217  0.423  1.0
  S  S15  1  0.714  0.783  0.577  1.0
  S  S16  1  0.611  0.370  0.087  1.0
  S  S17  1  0.389  0.630  0.913  1.0
  S  S18  1  0.111  0.630  0.413  1.0
  S  S19  1  0.889  0.370  0.587  1.0
  S  S20  1  0.403  0.849  0.293  1.0
  S  S21  1  0.597  0.151  0.707  1.0
  S  S22  1  0.903  0.151  0.207  1.0
  S  S23  1  0.097  0.849  0.793  1.0
[/CIF]
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