data_Gd2UMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2UMo
_chemical_formula_sum   'Gd2 U1 Mo1'
_cell_volume   93.67
_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  0.41  0.41  0.41  1.0
  Gd  Gd1  1  0.8  0.8  0.8  1.0
  U  U3  1  0.6  0.6  0.6  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Gd2UMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Gd2UMo
_chemical_formula_sum   'Gd6 U3 Mo3'
_cell_volume   281.0
_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  0.2  1.0
  Gd  Gd1  3  0.0  0.0  0.59  1.0
  U  U2  3  0.0  0.0  0.4  1.0
  Mo  Mo3  3  0.0  0.0  0.0  1.0

Gd Gd U Mo
UGd2Mo crystallizes in the trigonal R3m space group. U(1) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), and three equivalent Mo(1) atoms. The U(1)-Gd(1) bond length is 2.47 Å. The U(1)-Gd(2) bond length is 2.47 Å. All U(1)-Mo(1) bond lengths are 3.04 Å. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one U(1) and three equivalent Mo(1) atoms to form distorted corner-sharing GdUMo3 tetrahedra. All Gd(1)-Mo(1) bond lengths are 3.08 Å. In the second Gd site, Gd(2) is bonded in a distorted linear geometry to one U(1) and one Mo(1) atom. The Gd(2)-Mo(1) bond length is 2.47 Å. Mo(1) is bonded in a 1-coordinate geometry to three equivalent U(1), one Gd(2), and three equivalent Gd(1) atoms.