The structure described by YbAgS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Yb(1) is bonded to six S(1,1) atoms to form YbS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with four 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 octahedral tilt angles range from 0-4°. Ag(1) is bonded to six S(1,1) atoms to form AgS6 octahedra that share corners with two equivalent Yb(1)S6 octahedra, corners with four 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 octahedral tilt angles range from 0-4°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Yb(1) and three equivalent Ag(1) atoms to form a mixture of edge and corner-sharing SYb3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second S site, S(1) is bonded to three equivalent Yb(1) and three equivalent Ag(1) atoms to form a mixture of edge and corner-sharing SYb3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF card [CIF]
data_YbAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.679
_cell_length_b   6.679
_cell_length_c   6.679
_cell_angle_alpha   130.898
_cell_angle_beta   130.898
_cell_angle_gamma   71.975
_symmetry_Int_Tables_number   1
_cell_volume   166.474
_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
  Yb  Yb0  1  0.750  0.250  0.500  1.0
  Yb  Yb1  1  0.000  0.000  0.000  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Ag  Ag3  1  0.250  0.750  0.500  1.0
  S  S4  1  0.740  0.740  0.000  1.0
  S  S5  1  0.490  0.990  0.500  1.0
  S  S6  1  0.260  0.260  0.000  1.0
  S  S7  1  0.010  0.510  0.500  1.0
[/CIF]
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The structure described by YbAgS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Yb(1) is bonded to six S(1,1) atoms to form YbS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with four 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 octahedral tilt angles range from 0-4°. Ag(1) is bonded to six S(1,1) atoms to form AgS6 octahedra that share corners with two equivalent Yb(1)S6 octahedra, corners with four 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 octahedral tilt angles range from 0-4°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Yb(1) and three equivalent Ag(1) atoms to form a mixture of edge and corner-sharing SYb3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second S site, S(1) is bonded to three equivalent Yb(1) and three equivalent Ag(1) atoms to form a mixture of edge and corner-sharing SYb3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF card [CIF]
data_YbAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.679
_cell_length_b   6.679
_cell_length_c   6.679
_cell_angle_alpha   130.898
_cell_angle_beta   130.898
_cell_angle_gamma   71.975
_symmetry_Int_Tables_number   1
_cell_volume   166.474
_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
  Yb  Yb0  1  0.750  0.250  0.500  1.0
  Yb  Yb1  1  0.000  0.000  0.000  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Ag  Ag3  1  0.250  0.750  0.500  1.0
  S  S4  1  0.740  0.740  0.000  1.0
  S  S5  1  0.490  0.990  0.500  1.0
  S  S6  1  0.260  0.260  0.000  1.0
  S  S7  1  0.010  0.510  0.500  1.0
[/CIF]
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