The material structure described by Gd2S3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. In the second Gd site, Gd(2) 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 to two equivalent Gd(1) and three equivalent Gd(2) atoms to form a mixture of distorted edge, face, and corner-sharing SGd5 trigonal bipyramids. In the second S site, S(2) is bonded to one Gd(2) and four equivalent Gd(1) atoms to form a mixture of distorted edge, face, and corner-sharing SGd5 square pyramids. In the third S site, S(3) is bonded to two equivalent Gd(1) and three equivalent Gd(2) atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Gd2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.938
_cell_length_b   7.392
_cell_length_c   15.294
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   445.180
_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
  Gd  Gd0  1  0.250  0.639  0.705  1.0
  Gd  Gd1  1  0.750  0.361  0.295  1.0
  Gd  Gd2  1  0.750  0.861  0.205  1.0
  Gd  Gd3  1  0.250  0.139  0.795  1.0
  Gd  Gd4  1  0.250  0.766  0.457  1.0
  Gd  Gd5  1  0.250  0.266  0.043  1.0
  Gd  Gd6  1  0.750  0.234  0.543  1.0
  Gd  Gd7  1  0.750  0.734  0.957  1.0
  S  S8  1  0.750  0.624  0.568  1.0
  S  S9  1  0.250  0.152  0.219  1.0
  S  S10  1  0.250  0.652  0.281  1.0
  S  S11  1  0.250  0.510  0.892  1.0
  S  S12  1  0.250  0.376  0.432  1.0
  S  S13  1  0.750  0.124  0.932  1.0
  S  S14  1  0.750  0.990  0.392  1.0
  S  S15  1  0.750  0.848  0.781  1.0
  S  S16  1  0.750  0.348  0.719  1.0
  S  S17  1  0.750  0.490  0.108  1.0
  S  S18  1  0.250  0.010  0.608  1.0
  S  S19  1  0.250  0.876  0.068  1.0
[/CIF]
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The material structure described by Gd2S3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. In the second Gd site, Gd(2) 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 to two equivalent Gd(1) and three equivalent Gd(2) atoms to form a mixture of distorted edge, face, and corner-sharing SGd5 trigonal bipyramids. In the second S site, S(2) is bonded to one Gd(2) and four equivalent Gd(1) atoms to form a mixture of distorted edge, face, and corner-sharing SGd5 square pyramids. In the third S site, S(3) is bonded to two equivalent Gd(1) and three equivalent Gd(2) atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Gd2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.938
_cell_length_b   7.392
_cell_length_c   15.294
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   445.180
_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
  Gd  Gd0  1  0.250  0.639  0.705  1.0
  Gd  Gd1  1  0.750  0.361  0.295  1.0
  Gd  Gd2  1  0.750  0.861  0.205  1.0
  Gd  Gd3  1  0.250  0.139  0.795  1.0
  Gd  Gd4  1  0.250  0.766  0.457  1.0
  Gd  Gd5  1  0.250  0.266  0.043  1.0
  Gd  Gd6  1  0.750  0.234  0.543  1.0
  Gd  Gd7  1  0.750  0.734  0.957  1.0
  S  S8  1  0.750  0.624  0.568  1.0
  S  S9  1  0.250  0.152  0.219  1.0
  S  S10  1  0.250  0.652  0.281  1.0
  S  S11  1  0.250  0.510  0.892  1.0
  S  S12  1  0.250  0.376  0.432  1.0
  S  S13  1  0.750  0.124  0.932  1.0
  S  S14  1  0.750  0.990  0.392  1.0
  S  S15  1  0.750  0.848  0.781  1.0
  S  S16  1  0.750  0.348  0.719  1.0
  S  S17  1  0.750  0.490  0.108  1.0
  S  S18  1  0.250  0.010  0.608  1.0
  S  S19  1  0.250  0.876  0.068  1.0
[/CIF]
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