The material structure described by ErAgS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Er(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form ErS6 octahedra that share corners with six equivalent Er(1)S6 octahedra, edges with four equivalent Er(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 Er(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 Er(1) and two equivalent Ag(1) atoms to form SEr4Ag2 octahedra that share corners with six equivalent S(1)Er4Ag2 octahedra, edges with four equivalent S(1)Er4Ag2 octahedra, and edges with eight equivalent S(2)Er2Ag4 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to two equivalent Er(1) and four equivalent Ag(1) atoms to form SEr2Ag4 octahedra that share corners with six equivalent S(2)Er2Ag4 octahedra, edges with four equivalent S(2)Er2Ag4 octahedra, and edges with eight equivalent S(1)Er4Ag2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_ErAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.913
_cell_length_b   3.913
_cell_length_c   5.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   82.888
_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
  Er  Er0  1  0.500  0.500  0.000  1.0
  Ag  Ag1  1  0.000  0.000  0.500  1.0
  S  S2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by ErAgS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Er(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form ErS6 octahedra that share corners with six equivalent Er(1)S6 octahedra, edges with four equivalent Er(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 Er(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 Er(1) and two equivalent Ag(1) atoms to form SEr4Ag2 octahedra that share corners with six equivalent S(1)Er4Ag2 octahedra, edges with four equivalent S(1)Er4Ag2 octahedra, and edges with eight equivalent S(2)Er2Ag4 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to two equivalent Er(1) and four equivalent Ag(1) atoms to form SEr2Ag4 octahedra that share corners with six equivalent S(2)Er2Ag4 octahedra, edges with four equivalent S(2)Er2Ag4 octahedra, and edges with eight equivalent S(1)Er4Ag2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_ErAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.913
_cell_length_b   3.913
_cell_length_c   5.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   82.888
_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
  Er  Er0  1  0.500  0.500  0.000  1.0
  Ag  Ag1  1  0.000  0.000  0.500  1.0
  S  S2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.500  0.500  0.500  1.0
[/CIF]
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