The compound described by AgFe2S3 crystallizes in the orthorhombic Cmce space group. Fe(1) is bonded to one S(1) and three equivalent S(2) atoms to form FeS4 tetrahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with five equivalent Ag(1)S4 trigonal pyramids, and edges with two equivalent Fe(1)S4 tetrahedra. Ag(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted AgS4 trigonal pyramids that share corners with ten equivalent Fe(1)S4 tetrahedra and corners with two equivalent Ag(1)S4 trigonal pyramids. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one Ag(1) atom. In the second S site, S(1) is bonded to two equivalent Fe(1) and two equivalent Ag(1) atoms to form corner-sharing SFe2Ag2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2AgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.308
_cell_length_b   6.308
_cell_length_c   12.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.679
_symmetry_Int_Tables_number   1
_cell_volume   448.231
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.503  0.166  0.441  1.0
  Fe  Fe1  1  0.666  0.003  0.059  1.0
  Fe  Fe2  1  0.997  0.334  0.941  1.0
  Fe  Fe3  1  0.834  0.497  0.559  1.0
  Fe  Fe4  1  0.497  0.834  0.559  1.0
  Fe  Fe5  1  0.334  0.997  0.941  1.0
  Fe  Fe6  1  0.003  0.666  0.059  1.0
  Fe  Fe7  1  0.166  0.503  0.441  1.0
  Ag  Ag8  1  0.851  0.851  0.295  1.0
  Ag  Ag9  1  0.351  0.351  0.205  1.0
  Ag  Ag10  1  0.649  0.649  0.795  1.0
  Ag  Ag11  1  0.149  0.149  0.705  1.0
  S  S12  1  0.701  0.701  0.115  1.0
  S  S13  1  0.201  0.201  0.385  1.0
  S  S14  1  0.799  0.799  0.615  1.0
  S  S15  1  0.299  0.299  0.885  1.0
  S  S16  1  0.476  0.832  0.392  1.0
  S  S17  1  0.332  0.976  0.108  1.0
  S  S18  1  0.024  0.668  0.892  1.0
  S  S19  1  0.168  0.524  0.608  1.0
  S  S20  1  0.524  0.168  0.608  1.0
  S  S21  1  0.668  0.024  0.892  1.0
  S  S22  1  0.976  0.332  0.108  1.0
  S  S23  1  0.832  0.476  0.392  1.0
[/CIF]
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The compound described by AgFe2S3 crystallizes in the orthorhombic Cmce space group. Fe(1) is bonded to one S(1) and three equivalent S(2) atoms to form FeS4 tetrahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with five equivalent Ag(1)S4 trigonal pyramids, and edges with two equivalent Fe(1)S4 tetrahedra. Ag(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted AgS4 trigonal pyramids that share corners with ten equivalent Fe(1)S4 tetrahedra and corners with two equivalent Ag(1)S4 trigonal pyramids. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one Ag(1) atom. In the second S site, S(1) is bonded to two equivalent Fe(1) and two equivalent Ag(1) atoms to form corner-sharing SFe2Ag2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2AgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.308
_cell_length_b   6.308
_cell_length_c   12.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.679
_symmetry_Int_Tables_number   1
_cell_volume   448.231
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.503  0.166  0.441  1.0
  Fe  Fe1  1  0.666  0.003  0.059  1.0
  Fe  Fe2  1  0.997  0.334  0.941  1.0
  Fe  Fe3  1  0.834  0.497  0.559  1.0
  Fe  Fe4  1  0.497  0.834  0.559  1.0
  Fe  Fe5  1  0.334  0.997  0.941  1.0
  Fe  Fe6  1  0.003  0.666  0.059  1.0
  Fe  Fe7  1  0.166  0.503  0.441  1.0
  Ag  Ag8  1  0.851  0.851  0.295  1.0
  Ag  Ag9  1  0.351  0.351  0.205  1.0
  Ag  Ag10  1  0.649  0.649  0.795  1.0
  Ag  Ag11  1  0.149  0.149  0.705  1.0
  S  S12  1  0.701  0.701  0.115  1.0
  S  S13  1  0.201  0.201  0.385  1.0
  S  S14  1  0.799  0.799  0.615  1.0
  S  S15  1  0.299  0.299  0.885  1.0
  S  S16  1  0.476  0.832  0.392  1.0
  S  S17  1  0.332  0.976  0.108  1.0
  S  S18  1  0.024  0.668  0.892  1.0
  S  S19  1  0.168  0.524  0.608  1.0
  S  S20  1  0.524  0.168  0.608  1.0
  S  S21  1  0.668  0.024  0.892  1.0
  S  S22  1  0.976  0.332  0.108  1.0
  S  S23  1  0.832  0.476  0.392  1.0
[/CIF]
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