The structure described by Pr5AgS8 crystallizes in the tetragonal I-4 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Pr site, Pr(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 distorted square co-planar geometry to four equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Pr(2), four equivalent Pr(1), and one Ag(1) atom to form a mixture of distorted edge, face, and corner-sharing SPr5Ag octahedra. The corner-sharing octahedral tilt angles range from 16-47°. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Pr(2) and four equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr5AgS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.486
_cell_length_b   7.486
_cell_length_c   7.486
_cell_angle_alpha   109.754
_cell_angle_beta   109.754
_cell_angle_gamma   108.908
_symmetry_Int_Tables_number   1
_cell_volume   322.927
_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
  Pr  Pr0  1  0.236  0.620  0.119  1.0
  Pr  Pr1  1  0.380  0.499  0.616  1.0
  Pr  Pr2  1  0.501  0.117  0.881  1.0
  Pr  Pr3  1  0.883  0.764  0.384  1.0
  Pr  Pr4  1  0.750  0.250  0.500  1.0
  Ag  Ag5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.275  0.024  0.391  1.0
  S  S7  1  0.633  0.884  0.609  1.0
  S  S8  1  0.498  0.393  0.260  1.0
  S  S9  1  0.762  0.502  0.895  1.0
  S  S10  1  0.607  0.867  0.105  1.0
  S  S11  1  0.116  0.725  0.749  1.0
  S  S12  1  0.976  0.367  0.251  1.0
  S  S13  1  0.133  0.238  0.740  1.0
[/CIF]
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The structure described by Pr5AgS8 crystallizes in the tetragonal I-4 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Pr site, Pr(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 distorted square co-planar geometry to four equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Pr(2), four equivalent Pr(1), and one Ag(1) atom to form a mixture of distorted edge, face, and corner-sharing SPr5Ag octahedra. The corner-sharing octahedral tilt angles range from 16-47°. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Pr(2) and four equivalent Pr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr5AgS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.486
_cell_length_b   7.486
_cell_length_c   7.486
_cell_angle_alpha   109.754
_cell_angle_beta   109.754
_cell_angle_gamma   108.908
_symmetry_Int_Tables_number   1
_cell_volume   322.927
_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
  Pr  Pr0  1  0.236  0.620  0.119  1.0
  Pr  Pr1  1  0.380  0.499  0.616  1.0
  Pr  Pr2  1  0.501  0.117  0.881  1.0
  Pr  Pr3  1  0.883  0.764  0.384  1.0
  Pr  Pr4  1  0.750  0.250  0.500  1.0
  Ag  Ag5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.275  0.024  0.391  1.0
  S  S7  1  0.633  0.884  0.609  1.0
  S  S8  1  0.498  0.393  0.260  1.0
  S  S9  1  0.762  0.502  0.895  1.0
  S  S10  1  0.607  0.867  0.105  1.0
  S  S11  1  0.116  0.725  0.749  1.0
  S  S12  1  0.976  0.367  0.251  1.0
  S  S13  1  0.133  0.238  0.740  1.0
[/CIF]
.