The crystal structure described by YbGdS3 crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. Gd(1) is bonded to one S(2), three equivalent S(1), and three equivalent S(3) atoms to form distorted edge-sharing GdS7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Yb(1) and three equivalent Gd(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to four equivalent Yb(1) and one Gd(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Yb(1) and three equivalent Gd(1) atoms. is represented by the CIF file [CIF]
data_YbGdS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.102
_cell_length_b   7.308
_cell_length_c   15.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.986
_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
  Yb  Yb0  1  0.250  0.155  0.782  1.0
  Yb  Yb1  1  0.250  0.655  0.718  1.0
  Yb  Yb2  1  0.750  0.845  0.218  1.0
  Yb  Yb3  1  0.750  0.345  0.282  1.0
  Gd  Gd4  1  0.250  0.764  0.463  1.0
  Gd  Gd5  1  0.250  0.264  0.037  1.0
  Gd  Gd6  1  0.750  0.236  0.537  1.0
  Gd  Gd7  1  0.750  0.736  0.963  1.0
  S  S8  1  0.250  0.027  0.601  1.0
  S  S9  1  0.250  0.527  0.899  1.0
  S  S10  1  0.750  0.973  0.399  1.0
  S  S11  1  0.750  0.473  0.101  1.0
  S  S12  1  0.250  0.124  0.211  1.0
  S  S13  1  0.250  0.624  0.289  1.0
  S  S14  1  0.750  0.876  0.789  1.0
  S  S15  1  0.750  0.376  0.711  1.0
  S  S16  1  0.250  0.378  0.422  1.0
  S  S17  1  0.250  0.878  0.078  1.0
  S  S18  1  0.750  0.622  0.578  1.0
  S  S19  1  0.750  0.122  0.922  1.0
[/CIF]
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The crystal structure described by YbGdS3 crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. Gd(1) is bonded to one S(2), three equivalent S(1), and three equivalent S(3) atoms to form distorted edge-sharing GdS7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Yb(1) and three equivalent Gd(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to four equivalent Yb(1) and one Gd(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Yb(1) and three equivalent Gd(1) atoms. is represented by the CIF file [CIF]
data_YbGdS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.102
_cell_length_b   7.308
_cell_length_c   15.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.986
_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
  Yb  Yb0  1  0.250  0.155  0.782  1.0
  Yb  Yb1  1  0.250  0.655  0.718  1.0
  Yb  Yb2  1  0.750  0.845  0.218  1.0
  Yb  Yb3  1  0.750  0.345  0.282  1.0
  Gd  Gd4  1  0.250  0.764  0.463  1.0
  Gd  Gd5  1  0.250  0.264  0.037  1.0
  Gd  Gd6  1  0.750  0.236  0.537  1.0
  Gd  Gd7  1  0.750  0.736  0.963  1.0
  S  S8  1  0.250  0.027  0.601  1.0
  S  S9  1  0.250  0.527  0.899  1.0
  S  S10  1  0.750  0.973  0.399  1.0
  S  S11  1  0.750  0.473  0.101  1.0
  S  S12  1  0.250  0.124  0.211  1.0
  S  S13  1  0.250  0.624  0.289  1.0
  S  S14  1  0.750  0.876  0.789  1.0
  S  S15  1  0.750  0.376  0.711  1.0
  S  S16  1  0.250  0.378  0.422  1.0
  S  S17  1  0.250  0.878  0.078  1.0
  S  S18  1  0.750  0.622  0.578  1.0
  S  S19  1  0.750  0.122  0.922  1.0
[/CIF]
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