The crystal structure described by YbAgS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Yb(1) is bonded to six equivalent S(1) atoms to form YbS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with six equivalent Yb(1)S6 octahedra, and edges with six equivalent Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. Ag(1) is bonded to six equivalent S(1) atoms to form AgS6 octahedra that share corners with six equivalent Yb(1)S6 octahedra, edges with six equivalent Yb(1)S6 octahedra, and edges with six equivalent Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. 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 octahedra are not tilted. is represented by the CIF card [CIF]
data_YbAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.349
_cell_length_b   6.349
_cell_length_c   6.349
_cell_angle_alpha   37.062
_cell_angle_beta   37.062
_cell_angle_gamma   37.062
_symmetry_Int_Tables_number   1
_cell_volume   83.314
_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  0.254  0.254  0.254  1.0
  S  S3  1  0.746  0.746  0.746  1.0
[/CIF]
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The crystal structure described by YbAgS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Yb(1) is bonded to six equivalent S(1) atoms to form YbS6 octahedra that share corners with six equivalent Ag(1)S6 octahedra, edges with six equivalent Yb(1)S6 octahedra, and edges with six equivalent Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. Ag(1) is bonded to six equivalent S(1) atoms to form AgS6 octahedra that share corners with six equivalent Yb(1)S6 octahedra, edges with six equivalent Yb(1)S6 octahedra, and edges with six equivalent Ag(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. 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 octahedra are not tilted. is represented by the CIF card [CIF]
data_YbAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.349
_cell_length_b   6.349
_cell_length_c   6.349
_cell_angle_alpha   37.062
_cell_angle_beta   37.062
_cell_angle_gamma   37.062
_symmetry_Int_Tables_number   1
_cell_volume   83.314
_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  0.254  0.254  0.254  1.0
  S  S3  1  0.746  0.746  0.746  1.0
[/CIF]
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