The material described by YbAgS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Yb(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form YbS6 octahedra that share corners with six equivalent Yb(1)S6 octahedra, edges with four equivalent Yb(1)S6 octahedra, and edges with eight equivalent Ag(1)S6 octahedra. The corner-sharing octahedra are not tilted. Ag(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form AgS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with four equivalent Ag(1)S6 octahedra, and edges with eight equivalent Yb(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Yb(1) and two equivalent Ag(1) atoms to form SYb4Ag2 octahedra that share corners with six equivalent S(1)Yb4Ag2 octahedra, edges with four equivalent S(1)Yb4Ag2 octahedra, and edges with eight equivalent S(2)Yb2Ag4 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to two equivalent Yb(1) and four equivalent Ag(1) atoms to form SYb2Ag4 octahedra that share corners with six equivalent S(2)Yb2Ag4 octahedra, edges with four equivalent S(2)Yb2Ag4 octahedra, and edges with eight equivalent S(1)Yb4Ag2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.889
_cell_length_b   3.889
_cell_length_c   5.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   83.261
_cell_formula_units_Z   1
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
  Yb  Yb0  1  0.500  0.500  0.500  1.0
  Ag  Ag1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by YbAgS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Yb(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form YbS6 octahedra that share corners with six equivalent Yb(1)S6 octahedra, edges with four equivalent Yb(1)S6 octahedra, and edges with eight equivalent Ag(1)S6 octahedra. The corner-sharing octahedra are not tilted. Ag(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form AgS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with four equivalent Ag(1)S6 octahedra, and edges with eight equivalent Yb(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Yb(1) and two equivalent Ag(1) atoms to form SYb4Ag2 octahedra that share corners with six equivalent S(1)Yb4Ag2 octahedra, edges with four equivalent S(1)Yb4Ag2 octahedra, and edges with eight equivalent S(2)Yb2Ag4 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to two equivalent Yb(1) and four equivalent Ag(1) atoms to form SYb2Ag4 octahedra that share corners with six equivalent S(2)Yb2Ag4 octahedra, edges with four equivalent S(2)Yb2Ag4 octahedra, and edges with eight equivalent S(1)Yb4Ag2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.889
_cell_length_b   3.889
_cell_length_c   5.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   83.261
_cell_formula_units_Z   1
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
  Yb  Yb0  1  0.500  0.500  0.500  1.0
  Ag  Ag1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.500  0.500  0.000  1.0
[/CIF]
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