The crystal structure described by Gd3NS3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Gd site, Gd(2) is bonded in a 7-coordinate geometry to two equivalent N(1), one S(2), one S(3), and three equivalent S(1) atoms. In the third Gd site, Gd(3) is bonded to one N(1), two equivalent S(2), and three equivalent S(3) atoms to form distorted edge-sharing GdS5N octahedra. N(1) is bonded to one Gd(1), one Gd(3), and two equivalent Gd(2) atoms to form NGd4 tetrahedra that share corners with three equivalent S(3)Gd6 octahedra, corners with two equivalent S(1)Gd5 square pyramids, corners with two equivalent N(1)Gd4 tetrahedra, edges with two equivalent S(3)Gd6 octahedra, and edges with three equivalent S(1)Gd5 square pyramids. The corner-sharing octahedral tilt angles range from 6-40°. 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 SGd5 square pyramids that share corners with five equivalent S(3)Gd6 octahedra, corners with two equivalent N(1)Gd4 tetrahedra,  an edgeedge with one S(3)Gd6 octahedra, edges with four equivalent S(1)Gd5 square pyramids, and edges with three equivalent N(1)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-53°. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Gd(2), two equivalent Gd(1), and two equivalent Gd(3) atoms. In the third S site, S(3) 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 five equivalent S(1)Gd5 square pyramids, corners with three equivalent N(1)Gd4 tetrahedra, edges with four equivalent S(3)Gd6 octahedra,  an edgeedge with one S(1)Gd5 square pyramid, and edges with two equivalent N(1)Gd4 tetrahedra. is represented by the CIF file [CIF]
data_Gd3S3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.894
_cell_length_b   12.069
_cell_length_c   12.851
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   603.912
_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  0.750  0.213  0.639  1.0
  Gd  Gd1  1  0.250  0.954  0.646  1.0
  Gd  Gd2  1  0.250  0.454  0.854  1.0
  Gd  Gd3  1  0.750  0.571  0.629  1.0
  Gd  Gd4  1  0.250  0.787  0.361  1.0
  Gd  Gd5  1  0.250  0.287  0.139  1.0
  Gd  Gd6  1  0.750  0.046  0.354  1.0
  Gd  Gd7  1  0.750  0.713  0.861  1.0
  Gd  Gd8  1  0.750  0.546  0.146  1.0
  Gd  Gd9  1  0.250  0.929  0.129  1.0
  Gd  Gd10  1  0.750  0.071  0.871  1.0
  Gd  Gd11  1  0.250  0.429  0.371  1.0
  S  S12  1  0.250  0.633  0.992  1.0
  S  S13  1  0.250  0.725  0.692  1.0
  S  S14  1  0.750  0.867  0.492  1.0
  S  S15  1  0.250  0.225  0.808  1.0
  S  S16  1  0.250  0.910  0.897  1.0
  S  S17  1  0.750  0.775  0.192  1.0
  S  S18  1  0.250  0.133  0.508  1.0
  S  S19  1  0.750  0.275  0.308  1.0
  S  S20  1  0.750  0.367  0.008  1.0
  S  S21  1  0.750  0.590  0.397  1.0
  S  S22  1  0.750  0.090  0.103  1.0
  S  S23  1  0.250  0.410  0.603  1.0
  N  N24  1  0.250  0.461  0.202  1.0
  N  N25  1  0.250  0.961  0.298  1.0
  N  N26  1  0.750  0.539  0.798  1.0
  N  N27  1  0.750  0.039  0.702  1.0
[/CIF]
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The crystal structure described by Gd3NS3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Gd site, Gd(2) is bonded in a 7-coordinate geometry to two equivalent N(1), one S(2), one S(3), and three equivalent S(1) atoms. In the third Gd site, Gd(3) is bonded to one N(1), two equivalent S(2), and three equivalent S(3) atoms to form distorted edge-sharing GdS5N octahedra. N(1) is bonded to one Gd(1), one Gd(3), and two equivalent Gd(2) atoms to form NGd4 tetrahedra that share corners with three equivalent S(3)Gd6 octahedra, corners with two equivalent S(1)Gd5 square pyramids, corners with two equivalent N(1)Gd4 tetrahedra, edges with two equivalent S(3)Gd6 octahedra, and edges with three equivalent S(1)Gd5 square pyramids. The corner-sharing octahedral tilt angles range from 6-40°. 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 SGd5 square pyramids that share corners with five equivalent S(3)Gd6 octahedra, corners with two equivalent N(1)Gd4 tetrahedra,  an edgeedge with one S(3)Gd6 octahedra, edges with four equivalent S(1)Gd5 square pyramids, and edges with three equivalent N(1)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-53°. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Gd(2), two equivalent Gd(1), and two equivalent Gd(3) atoms. In the third S site, S(3) 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 five equivalent S(1)Gd5 square pyramids, corners with three equivalent N(1)Gd4 tetrahedra, edges with four equivalent S(3)Gd6 octahedra,  an edgeedge with one S(1)Gd5 square pyramid, and edges with two equivalent N(1)Gd4 tetrahedra. is represented by the CIF file [CIF]
data_Gd3S3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.894
_cell_length_b   12.069
_cell_length_c   12.851
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   603.912
_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  0.750  0.213  0.639  1.0
  Gd  Gd1  1  0.250  0.954  0.646  1.0
  Gd  Gd2  1  0.250  0.454  0.854  1.0
  Gd  Gd3  1  0.750  0.571  0.629  1.0
  Gd  Gd4  1  0.250  0.787  0.361  1.0
  Gd  Gd5  1  0.250  0.287  0.139  1.0
  Gd  Gd6  1  0.750  0.046  0.354  1.0
  Gd  Gd7  1  0.750  0.713  0.861  1.0
  Gd  Gd8  1  0.750  0.546  0.146  1.0
  Gd  Gd9  1  0.250  0.929  0.129  1.0
  Gd  Gd10  1  0.750  0.071  0.871  1.0
  Gd  Gd11  1  0.250  0.429  0.371  1.0
  S  S12  1  0.250  0.633  0.992  1.0
  S  S13  1  0.250  0.725  0.692  1.0
  S  S14  1  0.750  0.867  0.492  1.0
  S  S15  1  0.250  0.225  0.808  1.0
  S  S16  1  0.250  0.910  0.897  1.0
  S  S17  1  0.750  0.775  0.192  1.0
  S  S18  1  0.250  0.133  0.508  1.0
  S  S19  1  0.750  0.275  0.308  1.0
  S  S20  1  0.750  0.367  0.008  1.0
  S  S21  1  0.750  0.590  0.397  1.0
  S  S22  1  0.750  0.090  0.103  1.0
  S  S23  1  0.250  0.410  0.603  1.0
  N  N24  1  0.250  0.461  0.202  1.0
  N  N25  1  0.250  0.961  0.298  1.0
  N  N26  1  0.750  0.539  0.798  1.0
  N  N27  1  0.750  0.039  0.702  1.0
[/CIF]
.