data_Gd3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3O
_chemical_formula_sum   'Gd3 O1'
_cell_volume   96.95
_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  0.82  0.82  0.82  1.0
  Gd  Gd1  1  0.65  0.65  0.65  1.0
  Gd  Gd2  1  0.47  0.47  0.47  1.0
  O  O3  1  0.0  0.0  0.0  1.0

data_Gd3O
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Gd3O
_chemical_formula_sum   'Gd9 O3'
_cell_volume   290.84
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.18  1.0
  Gd  Gd1  3  0.0  0.0  0.35  1.0
  Gd  Gd2  3  0.0  0.0  0.53  1.0
  O  O3  3  0.0  0.0  0.0  1.0

Gd Gd Gd O
Gd3O crystallizes in the trigonal R3m space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a distorted single-bond geometry to one Gd(2) and one O(1) atom. The Gd(1)-Gd(2) bond length is 2.23 Å. The Gd(1)-O(1) bond length is 2.23 Å. In the second Gd site, Gd(2) is bonded to one Gd(1), one Gd(3), and three equivalent O(1) atoms to form distorted GdGd2O3 trigonal bipyramids that share corners with six equivalent Gd(2)Gd2O3 trigonal bipyramids and  a cornercorner with one O(1)Gd4 trigonal pyramid. The Gd(2)-Gd(3) bond length is 2.23 Å. All Gd(2)-O(1) bond lengths are 2.99 Å. In the third Gd site, Gd(3) is bonded in a 1-coordinate geometry to one Gd(2) atom. O(1) is bonded to one Gd(1) and three equivalent Gd(2) atoms to form distorted OGd4 trigonal pyramids that share  a cornercorner with one Gd(2)Gd2O3 trigonal bipyramid and corners with six equivalent O(1)Gd4 trigonal pyramids.