The material described by Gd3La is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to four equivalent Gd(1), four equivalent Gd(2), and four equivalent La(1) atoms to form GdLa4Gd8 cuboctahedra that share corners with twelve equivalent Gd(1)La4Gd8 cuboctahedra, edges with eight equivalent Gd(1)La4Gd8 cuboctahedra, edges with eight equivalent Gd(2)La4Gd8 cuboctahedra, edges with eight equivalent La(1)Gd12 cuboctahedra, faces with four equivalent Gd(2)La4Gd8 cuboctahedra, faces with four equivalent La(1)Gd12 cuboctahedra, and faces with ten equivalent Gd(1)La4Gd8 cuboctahedra. In the second Gd site, Gd(2) is bonded to eight equivalent Gd(1) and four equivalent La(1) atoms to form GdLa4Gd8 cuboctahedra that share corners with four equivalent Gd(2)La4Gd8 cuboctahedra, corners with eight equivalent La(1)Gd12 cuboctahedra, edges with eight equivalent Gd(2)La4Gd8 cuboctahedra, edges with sixteen equivalent Gd(1)La4Gd8 cuboctahedra, faces with four equivalent Gd(2)La4Gd8 cuboctahedra, faces with six equivalent La(1)Gd12 cuboctahedra, and faces with eight equivalent Gd(1)La4Gd8 cuboctahedra. La(1) is bonded to four equivalent Gd(2) and eight equivalent Gd(1) atoms to form LaGd12 cuboctahedra that share corners with four equivalent La(1)Gd12 cuboctahedra, corners with eight equivalent Gd(2)La4Gd8 cuboctahedra, edges with eight equivalent La(1)Gd12 cuboctahedra, edges with sixteen equivalent Gd(1)La4Gd8 cuboctahedra, faces with four equivalent La(1)Gd12 cuboctahedra, faces with six equivalent Gd(2)La4Gd8 cuboctahedra, and faces with eight equivalent Gd(1)La4Gd8 cuboctahedra. is represented by the CIF card [CIF]
data_LaGd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.381
_cell_length_b   6.381
_cell_length_c   6.381
_cell_angle_alpha   133.005
_cell_angle_beta   133.005
_cell_angle_gamma   68.646
_symmetry_Int_Tables_number   1
_cell_volume   136.429
_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
  La  La0  1  0.000  0.000  0.000  1.0
  Gd  Gd1  1  0.750  0.250  0.500  1.0
  Gd  Gd2  1  0.250  0.750  0.500  1.0
  Gd  Gd3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by Gd3La is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to four equivalent Gd(1), four equivalent Gd(2), and four equivalent La(1) atoms to form GdLa4Gd8 cuboctahedra that share corners with twelve equivalent Gd(1)La4Gd8 cuboctahedra, edges with eight equivalent Gd(1)La4Gd8 cuboctahedra, edges with eight equivalent Gd(2)La4Gd8 cuboctahedra, edges with eight equivalent La(1)Gd12 cuboctahedra, faces with four equivalent Gd(2)La4Gd8 cuboctahedra, faces with four equivalent La(1)Gd12 cuboctahedra, and faces with ten equivalent Gd(1)La4Gd8 cuboctahedra. In the second Gd site, Gd(2) is bonded to eight equivalent Gd(1) and four equivalent La(1) atoms to form GdLa4Gd8 cuboctahedra that share corners with four equivalent Gd(2)La4Gd8 cuboctahedra, corners with eight equivalent La(1)Gd12 cuboctahedra, edges with eight equivalent Gd(2)La4Gd8 cuboctahedra, edges with sixteen equivalent Gd(1)La4Gd8 cuboctahedra, faces with four equivalent Gd(2)La4Gd8 cuboctahedra, faces with six equivalent La(1)Gd12 cuboctahedra, and faces with eight equivalent Gd(1)La4Gd8 cuboctahedra. La(1) is bonded to four equivalent Gd(2) and eight equivalent Gd(1) atoms to form LaGd12 cuboctahedra that share corners with four equivalent La(1)Gd12 cuboctahedra, corners with eight equivalent Gd(2)La4Gd8 cuboctahedra, edges with eight equivalent La(1)Gd12 cuboctahedra, edges with sixteen equivalent Gd(1)La4Gd8 cuboctahedra, faces with four equivalent La(1)Gd12 cuboctahedra, faces with six equivalent Gd(2)La4Gd8 cuboctahedra, and faces with eight equivalent Gd(1)La4Gd8 cuboctahedra. is represented by the CIF card [CIF]
data_LaGd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.381
_cell_length_b   6.381
_cell_length_c   6.381
_cell_angle_alpha   133.005
_cell_angle_beta   133.005
_cell_angle_gamma   68.646
_symmetry_Int_Tables_number   1
_cell_volume   136.429
_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
  La  La0  1  0.000  0.000  0.000  1.0
  Gd  Gd1  1  0.750  0.250  0.500  1.0
  Gd  Gd2  1  0.250  0.750  0.500  1.0
  Gd  Gd3  1  0.500  0.500  0.000  1.0
[/CIF]
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