The material described by LuLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Lu(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form LuLa12 cuboctahedra that share corners with four equivalent Lu(1)La12 cuboctahedra, corners with eight equivalent La(2)La8Lu4 cuboctahedra, edges with eight equivalent Lu(1)La12 cuboctahedra, edges with sixteen equivalent La(1)La8Lu4 cuboctahedra, faces with four equivalent Lu(1)La12 cuboctahedra, faces with six equivalent La(2)La8Lu4 cuboctahedra, and faces with eight equivalent La(1)La8Lu4 cuboctahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent Lu(1), four equivalent La(1), and four equivalent La(2) atoms to form LaLa8Lu4 cuboctahedra that share corners with twelve equivalent La(1)La8Lu4 cuboctahedra, edges with eight equivalent Lu(1)La12 cuboctahedra, edges with eight equivalent La(1)La8Lu4 cuboctahedra, edges with eight equivalent La(2)La8Lu4 cuboctahedra, faces with four equivalent Lu(1)La12 cuboctahedra, faces with four equivalent La(2)La8Lu4 cuboctahedra, and faces with ten equivalent La(1)La8Lu4 cuboctahedra. In the second La site, La(2) is bonded to four equivalent Lu(1) and eight equivalent La(1) atoms to form LaLa8Lu4 cuboctahedra that share corners with four equivalent La(2)La8Lu4 cuboctahedra, corners with eight equivalent Lu(1)La12 cuboctahedra, edges with eight equivalent La(2)La8Lu4 cuboctahedra, edges with sixteen equivalent La(1)La8Lu4 cuboctahedra, faces with four equivalent La(2)La8Lu4 cuboctahedra, faces with six equivalent Lu(1)La12 cuboctahedra, and faces with eight equivalent La(1)La8Lu4 cuboctahedra. is represented by the CIF file [CIF]
data_La3Lu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.383
_cell_length_b   6.383
_cell_length_c   6.383
_cell_angle_alpha   132.163
_cell_angle_beta   132.163
_cell_angle_gamma   69.972
_symmetry_Int_Tables_number   1
_cell_volume   140.068
_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  0.750  0.250  0.500  1.0
  La  La1  1  0.250  0.750  0.500  1.0
  La  La2  1  0.500  0.500  0.000  1.0
  Lu  Lu3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by LuLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Lu(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form LuLa12 cuboctahedra that share corners with four equivalent Lu(1)La12 cuboctahedra, corners with eight equivalent La(2)La8Lu4 cuboctahedra, edges with eight equivalent Lu(1)La12 cuboctahedra, edges with sixteen equivalent La(1)La8Lu4 cuboctahedra, faces with four equivalent Lu(1)La12 cuboctahedra, faces with six equivalent La(2)La8Lu4 cuboctahedra, and faces with eight equivalent La(1)La8Lu4 cuboctahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent Lu(1), four equivalent La(1), and four equivalent La(2) atoms to form LaLa8Lu4 cuboctahedra that share corners with twelve equivalent La(1)La8Lu4 cuboctahedra, edges with eight equivalent Lu(1)La12 cuboctahedra, edges with eight equivalent La(1)La8Lu4 cuboctahedra, edges with eight equivalent La(2)La8Lu4 cuboctahedra, faces with four equivalent Lu(1)La12 cuboctahedra, faces with four equivalent La(2)La8Lu4 cuboctahedra, and faces with ten equivalent La(1)La8Lu4 cuboctahedra. In the second La site, La(2) is bonded to four equivalent Lu(1) and eight equivalent La(1) atoms to form LaLa8Lu4 cuboctahedra that share corners with four equivalent La(2)La8Lu4 cuboctahedra, corners with eight equivalent Lu(1)La12 cuboctahedra, edges with eight equivalent La(2)La8Lu4 cuboctahedra, edges with sixteen equivalent La(1)La8Lu4 cuboctahedra, faces with four equivalent La(2)La8Lu4 cuboctahedra, faces with six equivalent Lu(1)La12 cuboctahedra, and faces with eight equivalent La(1)La8Lu4 cuboctahedra. is represented by the CIF file [CIF]
data_La3Lu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.383
_cell_length_b   6.383
_cell_length_c   6.383
_cell_angle_alpha   132.163
_cell_angle_beta   132.163
_cell_angle_gamma   69.972
_symmetry_Int_Tables_number   1
_cell_volume   140.068
_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  0.750  0.250  0.500  1.0
  La  La1  1  0.250  0.750  0.500  1.0
  La  La2  1  0.500  0.500  0.000  1.0
  Lu  Lu3  1  0.000  0.000  0.000  1.0
[/CIF]
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