The material described by AgAsS2 crystallizes in the trigonal R-3 space group. Ag(1) is bonded in a 5-coordinate geometry to two equivalent S(1) and three equivalent S(2) atoms. As(1) is bonded in a distorted T-shaped geometry to one S(2) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ag(1) and two equivalent As(1) atoms. In the second S site, S(2) is bonded to three equivalent Ag(1) and one As(1) atom to form corner-sharing SAg3As tetrahedra. is represented by the CIF file [CIF]
data_AgAsS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.706
_cell_length_b   8.706
_cell_length_c   8.706
_cell_angle_alpha   106.816
_cell_angle_beta   106.816
_cell_angle_gamma   106.816
_symmetry_Int_Tables_number   1
_cell_volume   552.333
_cell_formula_units_Z   6
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
  Ag  Ag0  1  0.322  0.730  0.903  1.0
  Ag  Ag1  1  0.730  0.903  0.322  1.0
  Ag  Ag2  1  0.903  0.322  0.730  1.0
  Ag  Ag3  1  0.678  0.270  0.097  1.0
  Ag  Ag4  1  0.270  0.097  0.678  1.0
  Ag  Ag5  1  0.097  0.678  0.270  1.0
  As  As6  1  0.129  0.341  0.417  1.0
  As  As7  1  0.583  0.871  0.659  1.0
  As  As8  1  0.871  0.659  0.583  1.0
  As  As9  1  0.341  0.417  0.129  1.0
  As  As10  1  0.417  0.129  0.341  1.0
  As  As11  1  0.659  0.583  0.871  1.0
  S  S12  1  0.142  0.065  0.348  1.0
  S  S13  1  0.065  0.348  0.142  1.0
  S  S14  1  0.348  0.142  0.065  1.0
  S  S15  1  0.858  0.935  0.652  1.0
  S  S16  1  0.935  0.652  0.858  1.0
  S  S17  1  0.652  0.858  0.935  1.0
  S  S18  1  0.848  0.242  0.385  1.0
  S  S19  1  0.242  0.385  0.848  1.0
  S  S20  1  0.615  0.152  0.758  1.0
  S  S21  1  0.152  0.758  0.615  1.0
  S  S22  1  0.758  0.615  0.152  1.0
  S  S23  1  0.385  0.848  0.242  1.0
[/CIF]
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The material described by AgAsS2 crystallizes in the trigonal R-3 space group. Ag(1) is bonded in a 5-coordinate geometry to two equivalent S(1) and three equivalent S(2) atoms. As(1) is bonded in a distorted T-shaped geometry to one S(2) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ag(1) and two equivalent As(1) atoms. In the second S site, S(2) is bonded to three equivalent Ag(1) and one As(1) atom to form corner-sharing SAg3As tetrahedra. is represented by the CIF file [CIF]
data_AgAsS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.706
_cell_length_b   8.706
_cell_length_c   8.706
_cell_angle_alpha   106.816
_cell_angle_beta   106.816
_cell_angle_gamma   106.816
_symmetry_Int_Tables_number   1
_cell_volume   552.333
_cell_formula_units_Z   6
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
  Ag  Ag0  1  0.322  0.730  0.903  1.0
  Ag  Ag1  1  0.730  0.903  0.322  1.0
  Ag  Ag2  1  0.903  0.322  0.730  1.0
  Ag  Ag3  1  0.678  0.270  0.097  1.0
  Ag  Ag4  1  0.270  0.097  0.678  1.0
  Ag  Ag5  1  0.097  0.678  0.270  1.0
  As  As6  1  0.129  0.341  0.417  1.0
  As  As7  1  0.583  0.871  0.659  1.0
  As  As8  1  0.871  0.659  0.583  1.0
  As  As9  1  0.341  0.417  0.129  1.0
  As  As10  1  0.417  0.129  0.341  1.0
  As  As11  1  0.659  0.583  0.871  1.0
  S  S12  1  0.142  0.065  0.348  1.0
  S  S13  1  0.065  0.348  0.142  1.0
  S  S14  1  0.348  0.142  0.065  1.0
  S  S15  1  0.858  0.935  0.652  1.0
  S  S16  1  0.935  0.652  0.858  1.0
  S  S17  1  0.652  0.858  0.935  1.0
  S  S18  1  0.848  0.242  0.385  1.0
  S  S19  1  0.242  0.385  0.848  1.0
  S  S20  1  0.615  0.152  0.758  1.0
  S  S21  1  0.152  0.758  0.615  1.0
  S  S22  1  0.758  0.615  0.152  1.0
  S  S23  1  0.385  0.848  0.242  1.0
[/CIF]
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