The compound described by Ba(AgS)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to six equivalent S(1) atoms to form BaS6 octahedra that share corners with twelve equivalent Ag(1)S4 tetrahedra, edges with six equivalent Ba(1)S6 octahedra, and edges with six equivalent Ag(1)S4 tetrahedra. Ag(1) is bonded to four equivalent S(1) atoms to form AgS4 tetrahedra that share corners with six equivalent Ba(1)S6 octahedra, corners with six equivalent Ag(1)S4 tetrahedra, edges with three equivalent Ba(1)S6 octahedra, and edges with three equivalent Ag(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-54°. S(1) is bonded to three equivalent Ba(1) and four equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing SBa3Ag4 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Ba(AgS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.396
_cell_length_b   4.396
_cell_length_c   7.268
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   121.619
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.667  0.333  0.375  1.0
  Ag  Ag2  1  0.333  0.667  0.625  1.0
  S  S3  1  0.667  0.333  0.742  1.0
  S  S4  1  0.333  0.667  0.258  1.0
[/CIF]
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The compound described by Ba(AgS)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to six equivalent S(1) atoms to form BaS6 octahedra that share corners with twelve equivalent Ag(1)S4 tetrahedra, edges with six equivalent Ba(1)S6 octahedra, and edges with six equivalent Ag(1)S4 tetrahedra. Ag(1) is bonded to four equivalent S(1) atoms to form AgS4 tetrahedra that share corners with six equivalent Ba(1)S6 octahedra, corners with six equivalent Ag(1)S4 tetrahedra, edges with three equivalent Ba(1)S6 octahedra, and edges with three equivalent Ag(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-54°. S(1) is bonded to three equivalent Ba(1) and four equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing SBa3Ag4 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Ba(AgS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.396
_cell_length_b   4.396
_cell_length_c   7.268
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   121.619
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.667  0.333  0.375  1.0
  Ag  Ag2  1  0.333  0.667  0.625  1.0
  S  S3  1  0.667  0.333  0.742  1.0
  S  S4  1  0.333  0.667  0.258  1.0
[/CIF]
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