The crystal structure described by NdLa3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form NdLa12 cuboctahedra that share corners with four equivalent Nd(1)La12 cuboctahedra, corners with eight equivalent La(2)La8Nd4 cuboctahedra, edges with eight equivalent Nd(1)La12 cuboctahedra, edges with sixteen equivalent La(1)La8Nd4 cuboctahedra, faces with four equivalent Nd(1)La12 cuboctahedra, faces with six equivalent La(2)La8Nd4 cuboctahedra, and faces with eight equivalent La(1)La8Nd4 cuboctahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent Nd(1), four equivalent La(1), and four equivalent La(2) atoms to form LaLa8Nd4 cuboctahedra that share corners with twelve equivalent La(1)La8Nd4 cuboctahedra, edges with eight equivalent Nd(1)La12 cuboctahedra, edges with eight equivalent La(1)La8Nd4 cuboctahedra, edges with eight equivalent La(2)La8Nd4 cuboctahedra, faces with four equivalent Nd(1)La12 cuboctahedra, faces with four equivalent La(2)La8Nd4 cuboctahedra, and faces with ten equivalent La(1)La8Nd4 cuboctahedra. In the second La site, La(2) is bonded to four equivalent Nd(1) and eight equivalent La(1) atoms to form LaLa8Nd4 cuboctahedra that share corners with four equivalent La(2)La8Nd4 cuboctahedra, corners with eight equivalent Nd(1)La12 cuboctahedra, edges with eight equivalent La(2)La8Nd4 cuboctahedra, edges with sixteen equivalent La(1)La8Nd4 cuboctahedra, faces with four equivalent La(2)La8Nd4 cuboctahedra, faces with six equivalent Nd(1)La12 cuboctahedra, and faces with eight equivalent La(1)La8Nd4 cuboctahedra. is represented by the CIF file [CIF]
data_La3Nd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.448
_cell_length_b   6.448
_cell_length_c   6.448
_cell_angle_alpha   131.499
_cell_angle_beta   131.499
_cell_angle_gamma   71.022
_symmetry_Int_Tables_number   1
_cell_volume   147.286
_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
  Nd  Nd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by NdLa3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form NdLa12 cuboctahedra that share corners with four equivalent Nd(1)La12 cuboctahedra, corners with eight equivalent La(2)La8Nd4 cuboctahedra, edges with eight equivalent Nd(1)La12 cuboctahedra, edges with sixteen equivalent La(1)La8Nd4 cuboctahedra, faces with four equivalent Nd(1)La12 cuboctahedra, faces with six equivalent La(2)La8Nd4 cuboctahedra, and faces with eight equivalent La(1)La8Nd4 cuboctahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent Nd(1), four equivalent La(1), and four equivalent La(2) atoms to form LaLa8Nd4 cuboctahedra that share corners with twelve equivalent La(1)La8Nd4 cuboctahedra, edges with eight equivalent Nd(1)La12 cuboctahedra, edges with eight equivalent La(1)La8Nd4 cuboctahedra, edges with eight equivalent La(2)La8Nd4 cuboctahedra, faces with four equivalent Nd(1)La12 cuboctahedra, faces with four equivalent La(2)La8Nd4 cuboctahedra, and faces with ten equivalent La(1)La8Nd4 cuboctahedra. In the second La site, La(2) is bonded to four equivalent Nd(1) and eight equivalent La(1) atoms to form LaLa8Nd4 cuboctahedra that share corners with four equivalent La(2)La8Nd4 cuboctahedra, corners with eight equivalent Nd(1)La12 cuboctahedra, edges with eight equivalent La(2)La8Nd4 cuboctahedra, edges with sixteen equivalent La(1)La8Nd4 cuboctahedra, faces with four equivalent La(2)La8Nd4 cuboctahedra, faces with six equivalent Nd(1)La12 cuboctahedra, and faces with eight equivalent La(1)La8Nd4 cuboctahedra. is represented by the CIF file [CIF]
data_La3Nd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.448
_cell_length_b   6.448
_cell_length_c   6.448
_cell_angle_alpha   131.499
_cell_angle_beta   131.499
_cell_angle_gamma   71.022
_symmetry_Int_Tables_number   1
_cell_volume   147.286
_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
  Nd  Nd3  1  0.000  0.000  0.000  1.0
[/CIF]
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