The crystal structure described by Gd5AgS8 crystallizes in the tetragonal I-4 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. Ag(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Gd(2), four equivalent Gd(1), and one Ag(1) atom to form a mixture of distorted face, corner, and edge-sharing SGd5Ag octahedra. The corner-sharing octahedral tilt angles range from 18-46°. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Gd(2), four equivalent Gd(1), and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd5AgS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.251
_cell_length_b   7.251
_cell_length_c   7.251
_cell_angle_alpha   109.534
_cell_angle_beta   109.534
_cell_angle_gamma   109.346
_symmetry_Int_Tables_number   1
_cell_volume   293.421
_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
  Gd  Gd0  1  0.633  0.748  0.619  1.0
  Gd  Gd1  1  0.986  0.367  0.114  1.0
  Gd  Gd2  1  0.129  0.014  0.381  1.0
  Gd  Gd3  1  0.252  0.871  0.886  1.0
  Gd  Gd4  1  0.500  0.500  0.000  1.0
  Ag  Ag5  1  0.750  0.250  0.500  1.0
  S  S6  1  0.378  0.269  0.250  1.0
  S  S7  1  0.361  0.751  0.242  1.0
  S  S8  1  0.731  0.980  0.109  1.0
  S  S9  1  0.871  0.622  0.891  1.0
  S  S10  1  0.510  0.119  0.758  1.0
  S  S11  1  0.881  0.639  0.390  1.0
  S  S12  1  0.249  0.490  0.610  1.0
  S  S13  1  0.020  0.129  0.750  1.0
[/CIF]
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The crystal structure described by Gd5AgS8 crystallizes in the tetragonal I-4 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. Ag(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Gd(2), four equivalent Gd(1), and one Ag(1) atom to form a mixture of distorted face, corner, and edge-sharing SGd5Ag octahedra. The corner-sharing octahedral tilt angles range from 18-46°. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Gd(2), four equivalent Gd(1), and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd5AgS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.251
_cell_length_b   7.251
_cell_length_c   7.251
_cell_angle_alpha   109.534
_cell_angle_beta   109.534
_cell_angle_gamma   109.346
_symmetry_Int_Tables_number   1
_cell_volume   293.421
_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
  Gd  Gd0  1  0.633  0.748  0.619  1.0
  Gd  Gd1  1  0.986  0.367  0.114  1.0
  Gd  Gd2  1  0.129  0.014  0.381  1.0
  Gd  Gd3  1  0.252  0.871  0.886  1.0
  Gd  Gd4  1  0.500  0.500  0.000  1.0
  Ag  Ag5  1  0.750  0.250  0.500  1.0
  S  S6  1  0.378  0.269  0.250  1.0
  S  S7  1  0.361  0.751  0.242  1.0
  S  S8  1  0.731  0.980  0.109  1.0
  S  S9  1  0.871  0.622  0.891  1.0
  S  S10  1  0.510  0.119  0.758  1.0
  S  S11  1  0.881  0.639  0.390  1.0
  S  S12  1  0.249  0.490  0.610  1.0
  S  S13  1  0.020  0.129  0.750  1.0
[/CIF]
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