The material structure described by U3Gd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to four equivalent U(1), four equivalent U(2), and four equivalent Gd(1) atoms to form UGd4U8 cuboctahedra that share corners with twelve equivalent U(1)Gd4U8 cuboctahedra, edges with eight equivalent U(1)Gd4U8 cuboctahedra, edges with eight equivalent U(2)Gd4U8 cuboctahedra, edges with eight equivalent Gd(1)U12 cuboctahedra, faces with four equivalent U(2)Gd4U8 cuboctahedra, faces with four equivalent Gd(1)U12 cuboctahedra, and faces with ten equivalent U(1)Gd4U8 cuboctahedra. In the second U site, U(2) is bonded to eight equivalent U(1) and four equivalent Gd(1) atoms to form distorted UGd4U8 cuboctahedra that share corners with four equivalent U(2)Gd4U8 cuboctahedra, corners with eight equivalent Gd(1)U12 cuboctahedra, edges with eight equivalent U(2)Gd4U8 cuboctahedra, edges with sixteen equivalent U(1)Gd4U8 cuboctahedra, faces with four equivalent U(2)Gd4U8 cuboctahedra, faces with six equivalent Gd(1)U12 cuboctahedra, and faces with eight equivalent U(1)Gd4U8 cuboctahedra. Gd(1) is bonded to four equivalent U(2) and eight equivalent U(1) atoms to form GdU12 cuboctahedra that share corners with four equivalent Gd(1)U12 cuboctahedra, corners with eight equivalent U(2)Gd4U8 cuboctahedra, edges with eight equivalent Gd(1)U12 cuboctahedra, edges with sixteen equivalent U(1)Gd4U8 cuboctahedra, faces with four equivalent Gd(1)U12 cuboctahedra, faces with six equivalent U(2)Gd4U8 cuboctahedra, and faces with eight equivalent U(1)Gd4U8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdU3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.721
_cell_length_c   5.721
_cell_angle_alpha   135.079
_cell_angle_beta   135.079
_cell_angle_gamma   65.408
_symmetry_Int_Tables_number   1
_cell_volume   92.004
_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  0.000  0.000  0.000  1.0
  U  U1  1  0.250  0.750  0.500  1.0
  U  U2  1  0.500  0.500  0.000  1.0
  U  U3  1  0.750  0.250  0.500  1.0
[/CIF]
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The material structure described by U3Gd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to four equivalent U(1), four equivalent U(2), and four equivalent Gd(1) atoms to form UGd4U8 cuboctahedra that share corners with twelve equivalent U(1)Gd4U8 cuboctahedra, edges with eight equivalent U(1)Gd4U8 cuboctahedra, edges with eight equivalent U(2)Gd4U8 cuboctahedra, edges with eight equivalent Gd(1)U12 cuboctahedra, faces with four equivalent U(2)Gd4U8 cuboctahedra, faces with four equivalent Gd(1)U12 cuboctahedra, and faces with ten equivalent U(1)Gd4U8 cuboctahedra. In the second U site, U(2) is bonded to eight equivalent U(1) and four equivalent Gd(1) atoms to form distorted UGd4U8 cuboctahedra that share corners with four equivalent U(2)Gd4U8 cuboctahedra, corners with eight equivalent Gd(1)U12 cuboctahedra, edges with eight equivalent U(2)Gd4U8 cuboctahedra, edges with sixteen equivalent U(1)Gd4U8 cuboctahedra, faces with four equivalent U(2)Gd4U8 cuboctahedra, faces with six equivalent Gd(1)U12 cuboctahedra, and faces with eight equivalent U(1)Gd4U8 cuboctahedra. Gd(1) is bonded to four equivalent U(2) and eight equivalent U(1) atoms to form GdU12 cuboctahedra that share corners with four equivalent Gd(1)U12 cuboctahedra, corners with eight equivalent U(2)Gd4U8 cuboctahedra, edges with eight equivalent Gd(1)U12 cuboctahedra, edges with sixteen equivalent U(1)Gd4U8 cuboctahedra, faces with four equivalent Gd(1)U12 cuboctahedra, faces with six equivalent U(2)Gd4U8 cuboctahedra, and faces with eight equivalent U(1)Gd4U8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdU3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.721
_cell_length_c   5.721
_cell_angle_alpha   135.079
_cell_angle_beta   135.079
_cell_angle_gamma   65.408
_symmetry_Int_Tables_number   1
_cell_volume   92.004
_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  0.000  0.000  0.000  1.0
  U  U1  1  0.250  0.750  0.500  1.0
  U  U2  1  0.500  0.500  0.000  1.0
  U  U3  1  0.750  0.250  0.500  1.0
[/CIF]
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