data_Gd2SO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2SO2
_chemical_formula_sum   'Gd2 S1 O2'
_cell_volume   86.32
_cell_formula_units_Z   1
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  0.93  0.11  0.81  1.0
  Gd  Gd1  1  0.0  0.23  0.88  1.0
  S  S2  1  0.0  0.0  0.0  1.0
  O  O3  1  0.93  0.11  0.48  1.0
  O  O4  1  0.0  0.23  0.21  1.0

data_Gd2SO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2SO2
_chemical_formula_sum   'Gd2 S1 O2'
_cell_volume   86.32
_cell_formula_units_Z   1
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  0.0  0.23  0.88  1.0
  Gd  Gd1  1  0.93  0.11  0.81  1.0
  S  S2  1  0.0  0.0  0.0  1.0
  O  O3  1  0.0  0.23  0.21  1.0
  O  O4  1  0.93  0.11  0.48  1.0

Gd Gd S O O
Gd Gd S O O 0 1 + o o 0 2 + o + 1 2 o o + 2 4 o o o 3 4 + o o 
Gd2O2S crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Gd2O2S cluster. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 3-coordinate geometry to one Gd(2), one S(1), and one O(1) atom. The Gd(1)-Gd(2) bond length is 0.63 Å. The Gd(1)-S(1) bond length is 1.44 Å. The Gd(1)-O(1) bond length is 2.21 Å. In the second Gd site, Gd(2) is bonded in a distorted single-bond geometry to one Gd(1) and one S(1) atom. The Gd(2)-S(1) bond length is 1.20 Å. S(1) is bonded in a 1-coordinate geometry to one Gd(1), one Gd(2), and one O(2) atom. The S(1)-O(2) bond length is 1.66 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Gd(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one S(1) atom.