The structure described by Ag2SAg is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to eight equivalent Ag(1) and four equivalent S(1) atoms to form distorted AgAg8S4 cuboctahedra that share corners with four equivalent S(1)Ag12 cuboctahedra; corners with fourteen equivalent Ag(1)Ag8S4 cuboctahedra; edges with six equivalent S(1)Ag12 cuboctahedra; edges with twelve equivalent Ag(1)Ag8S4 cuboctahedra; faces with four equivalent S(1)Ag12 cuboctahedra; and faces with sixteen Ag(1,1)Ag8S4 cuboctahedra. In the second Ag site, Ag(1) is bonded to eight equivalent Ag(1) and four equivalent S(1) atoms to form distorted AgAg8S4 cuboctahedra that share corners with four equivalent S(1)Ag12 cuboctahedra; corners with fourteen Ag(1,1)Ag8S4 cuboctahedra; edges with six equivalent S(1)Ag12 cuboctahedra; edges with twelve equivalent Ag(1)Ag8S4 cuboctahedra; faces with four equivalent S(1)Ag12 cuboctahedra; and faces with sixteen Ag(1,1)Ag8S4 cuboctahedra. S(1) is bonded to twelve Ag(1,1) atoms to form SAg12 cuboctahedra that share corners with six equivalent S(1)Ag12 cuboctahedra; corners with twelve Ag(1,1)Ag8S4 cuboctahedra; edges with eighteen Ag(1,1)Ag8S4 cuboctahedra; faces with eight equivalent S(1)Ag12 cuboctahedra; and faces with twelve Ag(1,1)Ag8S4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.976
_cell_length_b   5.976
_cell_length_c   4.671
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   144.455
_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
  Ag  Ag0  1  0.165  0.330  0.250  1.0
  Ag  Ag1  1  0.670  0.835  0.250  1.0
  Ag  Ag2  1  0.165  0.835  0.250  1.0
  Ag  Ag3  1  0.835  0.670  0.750  1.0
  Ag  Ag4  1  0.330  0.165  0.750  1.0
  Ag  Ag5  1  0.835  0.165  0.750  1.0
  S  S6  1  0.333  0.667  0.750  1.0
  S  S7  1  0.667  0.333  0.250  1.0
[/CIF]
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The structure described by Ag2SAg is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to eight equivalent Ag(1) and four equivalent S(1) atoms to form distorted AgAg8S4 cuboctahedra that share corners with four equivalent S(1)Ag12 cuboctahedra; corners with fourteen equivalent Ag(1)Ag8S4 cuboctahedra; edges with six equivalent S(1)Ag12 cuboctahedra; edges with twelve equivalent Ag(1)Ag8S4 cuboctahedra; faces with four equivalent S(1)Ag12 cuboctahedra; and faces with sixteen Ag(1,1)Ag8S4 cuboctahedra. In the second Ag site, Ag(1) is bonded to eight equivalent Ag(1) and four equivalent S(1) atoms to form distorted AgAg8S4 cuboctahedra that share corners with four equivalent S(1)Ag12 cuboctahedra; corners with fourteen Ag(1,1)Ag8S4 cuboctahedra; edges with six equivalent S(1)Ag12 cuboctahedra; edges with twelve equivalent Ag(1)Ag8S4 cuboctahedra; faces with four equivalent S(1)Ag12 cuboctahedra; and faces with sixteen Ag(1,1)Ag8S4 cuboctahedra. S(1) is bonded to twelve Ag(1,1) atoms to form SAg12 cuboctahedra that share corners with six equivalent S(1)Ag12 cuboctahedra; corners with twelve Ag(1,1)Ag8S4 cuboctahedra; edges with eighteen Ag(1,1)Ag8S4 cuboctahedra; faces with eight equivalent S(1)Ag12 cuboctahedra; and faces with twelve Ag(1,1)Ag8S4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.976
_cell_length_b   5.976
_cell_length_c   4.671
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   144.455
_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
  Ag  Ag0  1  0.165  0.330  0.250  1.0
  Ag  Ag1  1  0.670  0.835  0.250  1.0
  Ag  Ag2  1  0.165  0.835  0.250  1.0
  Ag  Ag3  1  0.835  0.670  0.750  1.0
  Ag  Ag4  1  0.330  0.165  0.750  1.0
  Ag  Ag5  1  0.835  0.165  0.750  1.0
  S  S6  1  0.333  0.667  0.750  1.0
  S  S7  1  0.667  0.333  0.250  1.0
[/CIF]
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