The compound described by Ce5AgS8 crystallizes in the tetragonal I-4 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Ce site, Ce(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 Ce(2), four equivalent Ce(1), and one Ag(1) atom to form a mixture of distorted face, corner, and edge-sharing SCe5Ag octahedra. The corner-sharing octahedral tilt angles range from 16-47°. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Ce(2), four equivalent Ce(1), and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce5AgS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.401
_cell_length_b   7.401
_cell_length_c   7.401
_cell_angle_alpha   109.777
_cell_angle_beta   109.777
_cell_angle_gamma   108.861
_symmetry_Int_Tables_number   1
_cell_volume   312.065
_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
  Ce  Ce0  1  0.751  0.133  0.119  1.0
  Ce  Ce1  1  0.368  0.249  0.382  1.0
  Ce  Ce2  1  0.014  0.632  0.881  1.0
  Ce  Ce3  1  0.500  0.500  0.000  1.0
  Ce  Ce4  1  0.867  0.986  0.618  1.0
  Ag  Ag5  1  0.250  0.750  0.500  1.0
  S  S6  1  0.273  0.027  0.893  1.0
  S  S7  1  0.620  0.727  0.754  1.0
  S  S8  1  0.118  0.357  0.603  1.0
  S  S9  1  0.485  0.882  0.239  1.0
  S  S10  1  0.643  0.246  0.761  1.0
  S  S11  1  0.973  0.866  0.246  1.0
  S  S12  1  0.134  0.380  0.107  1.0
  S  S13  1  0.754  0.515  0.397  1.0
[/CIF]
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The compound described by Ce5AgS8 crystallizes in the tetragonal I-4 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Ce site, Ce(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 Ce(2), four equivalent Ce(1), and one Ag(1) atom to form a mixture of distorted face, corner, and edge-sharing SCe5Ag octahedra. The corner-sharing octahedral tilt angles range from 16-47°. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Ce(2), four equivalent Ce(1), and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce5AgS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.401
_cell_length_b   7.401
_cell_length_c   7.401
_cell_angle_alpha   109.777
_cell_angle_beta   109.777
_cell_angle_gamma   108.861
_symmetry_Int_Tables_number   1
_cell_volume   312.065
_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
  Ce  Ce0  1  0.751  0.133  0.119  1.0
  Ce  Ce1  1  0.368  0.249  0.382  1.0
  Ce  Ce2  1  0.014  0.632  0.881  1.0
  Ce  Ce3  1  0.500  0.500  0.000  1.0
  Ce  Ce4  1  0.867  0.986  0.618  1.0
  Ag  Ag5  1  0.250  0.750  0.500  1.0
  S  S6  1  0.273  0.027  0.893  1.0
  S  S7  1  0.620  0.727  0.754  1.0
  S  S8  1  0.118  0.357  0.603  1.0
  S  S9  1  0.485  0.882  0.239  1.0
  S  S10  1  0.643  0.246  0.761  1.0
  S  S11  1  0.973  0.866  0.246  1.0
  S  S12  1  0.134  0.380  0.107  1.0
  S  S13  1  0.754  0.515  0.397  1.0
[/CIF]
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