The structure described by Ag3SBr crystallizes in the orthorhombic Fmm2 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent Br(1) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent Br(1) atoms. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent Br(1) atoms. In the fourth Ag site, Ag(4) is bonded in a distorted tetrahedral geometry to two equivalent S(1) and two equivalent Br(1) atoms. S(1) is bonded to one Ag(3), one Ag(4), two equivalent Ag(1), and two equivalent Ag(2) atoms to form corner-sharing SAg6 octahedra. The corner-sharing octahedral tilt angles range from 27-32°. Br(1) is bonded in a 6-coordinate geometry to one Ag(3), one Ag(4), two equivalent Ag(1), and two equivalent Ag(2) atoms. is represented by the CIF card [CIF]
data_Ag3SBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.979
_cell_length_b   6.906
_cell_length_c   6.864
_cell_angle_alpha   60.903
_cell_angle_beta   59.844
_cell_angle_gamma   59.253
_symmetry_Int_Tables_number   1
_cell_volume   233.827
_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
  Ag  Ag0  1  0.436  0.436  0.064  1.0
  Ag  Ag1  1  0.564  0.939  0.061  1.0
  Ag  Ag2  1  0.936  0.936  0.564  1.0
  Ag  Ag3  1  0.939  0.564  0.436  1.0
  Ag  Ag4  1  0.445  0.445  0.555  1.0
  Ag  Ag5  1  0.064  0.064  0.936  1.0
  S  S6  1  0.254  0.754  0.246  1.0
  S  S7  1  0.754  0.254  0.746  1.0
  Br  Br8  1  0.996  0.496  0.004  1.0
  Br  Br9  1  0.496  0.996  0.504  1.0
[/CIF]
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The structure described by Ag3SBr crystallizes in the orthorhombic Fmm2 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent Br(1) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent Br(1) atoms. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent Br(1) atoms. In the fourth Ag site, Ag(4) is bonded in a distorted tetrahedral geometry to two equivalent S(1) and two equivalent Br(1) atoms. S(1) is bonded to one Ag(3), one Ag(4), two equivalent Ag(1), and two equivalent Ag(2) atoms to form corner-sharing SAg6 octahedra. The corner-sharing octahedral tilt angles range from 27-32°. Br(1) is bonded in a 6-coordinate geometry to one Ag(3), one Ag(4), two equivalent Ag(1), and two equivalent Ag(2) atoms. is represented by the CIF card [CIF]
data_Ag3SBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.979
_cell_length_b   6.906
_cell_length_c   6.864
_cell_angle_alpha   60.903
_cell_angle_beta   59.844
_cell_angle_gamma   59.253
_symmetry_Int_Tables_number   1
_cell_volume   233.827
_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
  Ag  Ag0  1  0.436  0.436  0.064  1.0
  Ag  Ag1  1  0.564  0.939  0.061  1.0
  Ag  Ag2  1  0.936  0.936  0.564  1.0
  Ag  Ag3  1  0.939  0.564  0.436  1.0
  Ag  Ag4  1  0.445  0.445  0.555  1.0
  Ag  Ag5  1  0.064  0.064  0.936  1.0
  S  S6  1  0.254  0.754  0.246  1.0
  S  S7  1  0.754  0.254  0.746  1.0
  Br  Br8  1  0.996  0.496  0.004  1.0
  Br  Br9  1  0.496  0.996  0.504  1.0
[/CIF]
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