The material described by Sm5AgS8 crystallizes in the tetragonal I-4 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Sm site, Sm(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 Sm(2), four equivalent Sm(1), and one Ag(1) atom to form a mixture of distorted edge, face, and corner-sharing SSm5Ag octahedra. The corner-sharing octahedral tilt angles range from 17-46°. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Sm(2), four equivalent Sm(1), and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm5AgS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.355
_cell_length_b   7.355
_cell_length_c   7.355
_cell_angle_alpha   109.681
_cell_angle_beta   109.681
_cell_angle_gamma   109.052
_symmetry_Int_Tables_number   1
_cell_volume   306.326
_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
  Sm  Sm0  1  0.633  0.747  0.618  1.0
  Sm  Sm1  1  0.985  0.367  0.114  1.0
  Sm  Sm2  1  0.129  0.015  0.382  1.0
  Sm  Sm3  1  0.500  0.500  0.000  1.0
  Sm  Sm4  1  0.253  0.871  0.886  1.0
  Ag  Ag5  1  0.750  0.250  0.500  1.0
  S  S6  1  0.380  0.271  0.249  1.0
  S  S7  1  0.358  0.749  0.240  1.0
  S  S8  1  0.869  0.620  0.891  1.0
  S  S9  1  0.509  0.118  0.760  1.0
  S  S10  1  0.251  0.491  0.609  1.0
  S  S11  1  0.882  0.642  0.391  1.0
  S  S12  1  0.729  0.978  0.109  1.0
  S  S13  1  0.022  0.131  0.751  1.0
[/CIF]
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The material described by Sm5AgS8 crystallizes in the tetragonal I-4 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Sm site, Sm(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 Sm(2), four equivalent Sm(1), and one Ag(1) atom to form a mixture of distorted edge, face, and corner-sharing SSm5Ag octahedra. The corner-sharing octahedral tilt angles range from 17-46°. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Sm(2), four equivalent Sm(1), and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm5AgS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.355
_cell_length_b   7.355
_cell_length_c   7.355
_cell_angle_alpha   109.681
_cell_angle_beta   109.681
_cell_angle_gamma   109.052
_symmetry_Int_Tables_number   1
_cell_volume   306.326
_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
  Sm  Sm0  1  0.633  0.747  0.618  1.0
  Sm  Sm1  1  0.985  0.367  0.114  1.0
  Sm  Sm2  1  0.129  0.015  0.382  1.0
  Sm  Sm3  1  0.500  0.500  0.000  1.0
  Sm  Sm4  1  0.253  0.871  0.886  1.0
  Ag  Ag5  1  0.750  0.250  0.500  1.0
  S  S6  1  0.380  0.271  0.249  1.0
  S  S7  1  0.358  0.749  0.240  1.0
  S  S8  1  0.869  0.620  0.891  1.0
  S  S9  1  0.509  0.118  0.760  1.0
  S  S10  1  0.251  0.491  0.609  1.0
  S  S11  1  0.882  0.642  0.391  1.0
  S  S12  1  0.729  0.978  0.109  1.0
  S  S13  1  0.022  0.131  0.751  1.0
[/CIF]
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