The crystal structure described by Gd2S3 crystallizes in the tetragonal I-42d space group. There are three 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 two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms to form distorted edge-sharing GdS8 hexagonal bipyramids. In the third Gd site, Gd(3) is bonded in a 8-coordinate geometry to two equivalent S(1), three equivalent S(2), and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Gd(1), two equivalent Gd(2), and two equivalent Gd(3) atoms to form SGd5 trigonal bipyramids that share corners with five equivalent S(2)Gd6 octahedra, corners with four equivalent S(3)Gd5 square pyramids, corners with four equivalent S(1)Gd5 trigonal bipyramids, edges with three equivalent S(2)Gd6 octahedra, edges with four equivalent S(3)Gd5 square pyramids,  an edgeedge with one S(1)Gd5 trigonal bipyramid,  a faceface with one S(2)Gd6 octahedra, and  a faceface with one S(1)Gd5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-50°. In the second S site, S(2) is bonded to one Gd(2), two equivalent Gd(1), and three equivalent Gd(3) atoms to form distorted SGd6 octahedra that share corners with three equivalent S(2)Gd6 octahedra, corners with seven equivalent S(3)Gd5 square pyramids, corners with five equivalent S(1)Gd5 trigonal bipyramids, edges with two equivalent S(2)Gd6 octahedra,  an edgeedge with one S(3)Gd5 square pyramid, edges with three equivalent S(1)Gd5 trigonal bipyramids, faces with two equivalent S(2)Gd6 octahedra, faces with two equivalent S(3)Gd5 square pyramids, and  a faceface with one S(1)Gd5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 19-49°. In the third S site, S(3) is bonded to one Gd(1), one Gd(2), and three equivalent Gd(3) atoms to form distorted SGd5 square pyramids that share corners with seven equivalent S(2)Gd6 octahedra, corners with five equivalent S(3)Gd5 square pyramids, corners with four equivalent S(1)Gd5 trigonal bipyramids,  an edgeedge with one S(2)Gd6 octahedra, edges with four equivalent S(1)Gd5 trigonal bipyramids, faces with two equivalent S(2)Gd6 octahedra, and  a faceface with one S(3)Gd5 square pyramid. The corner-sharing octahedral tilt angles range from 13-54°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.938
_cell_length_b   13.938
_cell_length_c   13.938
_cell_angle_alpha   144.861
_cell_angle_beta   144.861
_cell_angle_gamma   50.542
_symmetry_Int_Tables_number   1
_cell_volume   892.511
_cell_formula_units_Z   8
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  0.416  0.916  0.500  1.0
  Gd  Gd1  1  0.994  0.625  0.869  1.0
  Gd  Gd2  1  0.334  0.334  0.000  1.0
  Gd  Gd3  1  0.030  0.927  0.379  1.0
  Gd  Gd4  1  0.548  0.651  0.621  1.0
  Gd  Gd5  1  0.756  0.125  0.131  1.0
  Gd  Gd6  1  0.349  0.970  0.897  1.0
  Gd  Gd7  1  0.666  0.666  0.000  1.0
  Gd  Gd8  1  0.375  0.244  0.369  1.0
  Gd  Gd9  1  0.073  0.452  0.103  1.0
  Gd  Gd10  1  0.875  0.006  0.631  1.0
  Gd  Gd11  1  0.084  0.584  0.500  1.0
  Gd  Gd12  1  0.677  0.280  0.879  1.0
  Gd  Gd13  1  0.720  0.599  0.397  1.0
  Gd  Gd14  1  0.202  0.323  0.603  1.0
  Gd  Gd15  1  0.401  0.798  0.121  1.0
  S  S16  1  0.712  0.824  0.746  1.0
  S  S17  1  0.366  0.612  0.110  1.0
  S  S18  1  0.502  0.256  0.890  1.0
  S  S19  1  0.248  0.638  0.253  1.0
  S  S20  1  0.384  0.994  0.747  1.0
  S  S21  1  0.078  0.966  0.254  1.0
  S  S22  1  0.038  0.284  0.612  1.0
  S  S23  1  0.061  0.154  0.749  1.0
  S  S24  1  0.688  0.939  0.093  1.0
  S  S25  1  0.672  0.426  0.388  1.0
  S  S26  1  0.846  0.595  0.907  1.0
  S  S27  1  0.574  0.962  0.246  1.0
  S  S28  1  0.716  0.328  0.754  1.0
  S  S29  1  0.405  0.312  0.251  1.0
  S  S30  1  0.362  0.616  0.610  1.0
  S  S31  1  0.388  0.498  0.753  1.0
  S  S32  1  0.034  0.288  0.112  1.0
  S  S33  1  0.006  0.752  0.390  1.0
  S  S34  1  0.904  0.311  0.249  1.0
  S  S35  1  0.176  0.922  0.888  1.0
  S  S36  1  0.062  0.655  0.751  1.0
  S  S37  1  0.744  0.634  0.247  1.0
  S  S38  1  0.689  0.938  0.593  1.0
  S  S39  1  0.345  0.096  0.407  1.0
[/CIF]
.
The crystal structure described by Gd2S3 crystallizes in the tetragonal I-42d space group. There are three 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 two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms to form distorted edge-sharing GdS8 hexagonal bipyramids. In the third Gd site, Gd(3) is bonded in a 8-coordinate geometry to two equivalent S(1), three equivalent S(2), and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Gd(1), two equivalent Gd(2), and two equivalent Gd(3) atoms to form SGd5 trigonal bipyramids that share corners with five equivalent S(2)Gd6 octahedra, corners with four equivalent S(3)Gd5 square pyramids, corners with four equivalent S(1)Gd5 trigonal bipyramids, edges with three equivalent S(2)Gd6 octahedra, edges with four equivalent S(3)Gd5 square pyramids,  an edgeedge with one S(1)Gd5 trigonal bipyramid,  a faceface with one S(2)Gd6 octahedra, and  a faceface with one S(1)Gd5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-50°. In the second S site, S(2) is bonded to one Gd(2), two equivalent Gd(1), and three equivalent Gd(3) atoms to form distorted SGd6 octahedra that share corners with three equivalent S(2)Gd6 octahedra, corners with seven equivalent S(3)Gd5 square pyramids, corners with five equivalent S(1)Gd5 trigonal bipyramids, edges with two equivalent S(2)Gd6 octahedra,  an edgeedge with one S(3)Gd5 square pyramid, edges with three equivalent S(1)Gd5 trigonal bipyramids, faces with two equivalent S(2)Gd6 octahedra, faces with two equivalent S(3)Gd5 square pyramids, and  a faceface with one S(1)Gd5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 19-49°. In the third S site, S(3) is bonded to one Gd(1), one Gd(2), and three equivalent Gd(3) atoms to form distorted SGd5 square pyramids that share corners with seven equivalent S(2)Gd6 octahedra, corners with five equivalent S(3)Gd5 square pyramids, corners with four equivalent S(1)Gd5 trigonal bipyramids,  an edgeedge with one S(2)Gd6 octahedra, edges with four equivalent S(1)Gd5 trigonal bipyramids, faces with two equivalent S(2)Gd6 octahedra, and  a faceface with one S(3)Gd5 square pyramid. The corner-sharing octahedral tilt angles range from 13-54°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.938
_cell_length_b   13.938
_cell_length_c   13.938
_cell_angle_alpha   144.861
_cell_angle_beta   144.861
_cell_angle_gamma   50.542
_symmetry_Int_Tables_number   1
_cell_volume   892.511
_cell_formula_units_Z   8
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  0.416  0.916  0.500  1.0
  Gd  Gd1  1  0.994  0.625  0.869  1.0
  Gd  Gd2  1  0.334  0.334  0.000  1.0
  Gd  Gd3  1  0.030  0.927  0.379  1.0
  Gd  Gd4  1  0.548  0.651  0.621  1.0
  Gd  Gd5  1  0.756  0.125  0.131  1.0
  Gd  Gd6  1  0.349  0.970  0.897  1.0
  Gd  Gd7  1  0.666  0.666  0.000  1.0
  Gd  Gd8  1  0.375  0.244  0.369  1.0
  Gd  Gd9  1  0.073  0.452  0.103  1.0
  Gd  Gd10  1  0.875  0.006  0.631  1.0
  Gd  Gd11  1  0.084  0.584  0.500  1.0
  Gd  Gd12  1  0.677  0.280  0.879  1.0
  Gd  Gd13  1  0.720  0.599  0.397  1.0
  Gd  Gd14  1  0.202  0.323  0.603  1.0
  Gd  Gd15  1  0.401  0.798  0.121  1.0
  S  S16  1  0.712  0.824  0.746  1.0
  S  S17  1  0.366  0.612  0.110  1.0
  S  S18  1  0.502  0.256  0.890  1.0
  S  S19  1  0.248  0.638  0.253  1.0
  S  S20  1  0.384  0.994  0.747  1.0
  S  S21  1  0.078  0.966  0.254  1.0
  S  S22  1  0.038  0.284  0.612  1.0
  S  S23  1  0.061  0.154  0.749  1.0
  S  S24  1  0.688  0.939  0.093  1.0
  S  S25  1  0.672  0.426  0.388  1.0
  S  S26  1  0.846  0.595  0.907  1.0
  S  S27  1  0.574  0.962  0.246  1.0
  S  S28  1  0.716  0.328  0.754  1.0
  S  S29  1  0.405  0.312  0.251  1.0
  S  S30  1  0.362  0.616  0.610  1.0
  S  S31  1  0.388  0.498  0.753  1.0
  S  S32  1  0.034  0.288  0.112  1.0
  S  S33  1  0.006  0.752  0.390  1.0
  S  S34  1  0.904  0.311  0.249  1.0
  S  S35  1  0.176  0.922  0.888  1.0
  S  S36  1  0.062  0.655  0.751  1.0
  S  S37  1  0.744  0.634  0.247  1.0
  S  S38  1  0.689  0.938  0.593  1.0
  S  S39  1  0.345  0.096  0.407  1.0
[/CIF]
.