data_Gd2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.24
_cell_length_b   4.06
_cell_length_c   11.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2Se3
_chemical_formula_sum   'Gd8 Se12'
_cell_volume   502.45
_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  0.18  0.02  0.52  1.0
  Gd  Gd1  1  0.48  0.05  0.56  1.0
  Gd  Gd2  1  0.1  0.05  0.94  1.0
  Gd  Gd3  1  0.8  0.02  0.99  1.0
  Gd  Gd4  1  0.44  0.05  0.02  1.0
  Gd  Gd5  1  0.14  0.02  0.06  1.0
  Gd  Gd6  1  0.76  0.02  0.44  1.0
  Gd  Gd7  1  0.06  0.05  0.48  1.0
  Se  Se8  1  0.96  0.02  0.12  1.0
  Se  Se9  1  0.74  0.02  0.88  1.0
  Se  Se10  1  0.56  0.05  0.67  1.0
  Se  Se11  1  0.17  0.05  0.83  1.0
  Se  Se12  1  0.12  0.02  0.63  1.0
  Se  Se13  1  0.35  0.02  0.38  1.0
  Se  Se14  1  0.89  0.05  0.62  1.0
  Se  Se15  1  0.12  0.05  0.38  1.0
  Se  Se16  1  0.06  0.02  0.17  1.0
  Se  Se17  1  0.68  0.02  0.33  1.0
  Se  Se18  1  0.5  0.05  0.12  1.0
  Se  Se19  1  0.27  0.05  0.88  1.0

data_Gd2Se3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.06
_cell_length_b   11.0
_cell_length_c   11.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Gd2Se3
_chemical_formula_sum   'Gd8 Se12'
_cell_volume   502.45
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.02  0.02  0.32  1.0
  Gd  Gd1  2  0.02  0.48  0.94  1.0
  Gd  Gd2  2  0.02  0.56  0.36  1.0
  Gd  Gd3  2  0.02  0.94  0.98  1.0
  Se  Se4  2  0.02  0.12  0.38  1.0
  Se  Se5  2  0.02  0.38  0.0  1.0
  Se  Se6  2  0.02  0.62  0.77  1.0
  Se  Se7  2  0.02  0.67  0.44  1.0
  Se  Se8  2  0.02  0.83  0.06  1.0
  Se  Se9  2  0.02  0.88  0.15  1.0

Gd Gd Gd Gd Gd Gd Gd Gd Se Se Se Se Se Se Se Se Se Se Se Se
Gd2Se3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Gd2Se3 clusters. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 4-coordinate geometry to one Gd(1), one Se(6), and two equivalent Se(5) atoms. The Gd(1)-Gd(1) bond length is 1.41 Å. The Gd(1)-Se(6) bond length is 2.38 Å. There is one shorter (1.36 Å) and one longer (1.70 Å) Gd(1)-Se(5) bond length. In the second Gd site, Gd(2) is bonded in a distorted linear geometry to one Se(3) and one Se(6) atom. The Gd(2)-Se(3) bond length is 1.52 Å. The Gd(2)-Se(6) bond length is 2.45 Å. There are three inequivalent Se sites. In the first Se site, Se(3) is bonded in a single-bond geometry to one Gd(2) atom. In the second Se site, Se(5) is bonded in a 2-coordinate geometry to two equivalent Gd(1) atoms. In the third Se site, Se(6) is bonded in an L-shaped geometry to one Gd(1) and one Gd(2) atom.