The structure described by Lu3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to eight Lu(1,1) and four equivalent Nd(1) atoms to form LuNd4Lu8 cuboctahedra that share corners with four equivalent Nd(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1)Nd4Lu8 cuboctahedra; edges with six equivalent Nd(1)Lu12 cuboctahedra; edges with twelve Lu(1,1)Nd4Lu8 cuboctahedra; faces with four equivalent Nd(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1)Nd4Lu8 cuboctahedra. In the second Lu site, Lu(1) is bonded to eight equivalent Lu(1) and four equivalent Nd(1) atoms to form LuNd4Lu8 cuboctahedra that share corners with four equivalent Nd(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1)Nd4Lu8 cuboctahedra; edges with six equivalent Nd(1)Lu12 cuboctahedra; edges with twelve equivalent Lu(1)Nd4Lu8 cuboctahedra; faces with four equivalent Nd(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1)Nd4Lu8 cuboctahedra. Nd(1) is bonded to twelve Lu(1,1) atoms to form NdLu12 cuboctahedra that share corners with six equivalent Nd(1)Lu12 cuboctahedra; corners with twelve Lu(1,1)Nd4Lu8 cuboctahedra; edges with eighteen Lu(1,1)Nd4Lu8 cuboctahedra; faces with eight equivalent Nd(1)Lu12 cuboctahedra; and faces with twelve Lu(1,1)Nd4Lu8 cuboctahedra. is represented by the CIF file [CIF]
data_NdLu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.139
_cell_length_b   7.139
_cell_length_c   5.676
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   250.542
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.667  0.333  0.250  1.0
  Nd  Nd1  1  0.333  0.667  0.750  1.0
  Lu  Lu2  1  0.164  0.836  0.250  1.0
  Lu  Lu3  1  0.836  0.671  0.750  1.0
  Lu  Lu4  1  0.329  0.164  0.750  1.0
  Lu  Lu5  1  0.671  0.836  0.250  1.0
  Lu  Lu6  1  0.164  0.329  0.250  1.0
  Lu  Lu7  1  0.836  0.164  0.750  1.0
[/CIF]
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The structure described by Lu3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to eight Lu(1,1) and four equivalent Nd(1) atoms to form LuNd4Lu8 cuboctahedra that share corners with four equivalent Nd(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1)Nd4Lu8 cuboctahedra; edges with six equivalent Nd(1)Lu12 cuboctahedra; edges with twelve Lu(1,1)Nd4Lu8 cuboctahedra; faces with four equivalent Nd(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1)Nd4Lu8 cuboctahedra. In the second Lu site, Lu(1) is bonded to eight equivalent Lu(1) and four equivalent Nd(1) atoms to form LuNd4Lu8 cuboctahedra that share corners with four equivalent Nd(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1)Nd4Lu8 cuboctahedra; edges with six equivalent Nd(1)Lu12 cuboctahedra; edges with twelve equivalent Lu(1)Nd4Lu8 cuboctahedra; faces with four equivalent Nd(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1)Nd4Lu8 cuboctahedra. Nd(1) is bonded to twelve Lu(1,1) atoms to form NdLu12 cuboctahedra that share corners with six equivalent Nd(1)Lu12 cuboctahedra; corners with twelve Lu(1,1)Nd4Lu8 cuboctahedra; edges with eighteen Lu(1,1)Nd4Lu8 cuboctahedra; faces with eight equivalent Nd(1)Lu12 cuboctahedra; and faces with twelve Lu(1,1)Nd4Lu8 cuboctahedra. is represented by the CIF file [CIF]
data_NdLu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.139
_cell_length_b   7.139
_cell_length_c   5.676
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   250.542
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.667  0.333  0.250  1.0
  Nd  Nd1  1  0.333  0.667  0.750  1.0
  Lu  Lu2  1  0.164  0.836  0.250  1.0
  Lu  Lu3  1  0.836  0.671  0.750  1.0
  Lu  Lu4  1  0.329  0.164  0.750  1.0
  Lu  Lu5  1  0.671  0.836  0.250  1.0
  Lu  Lu6  1  0.164  0.329  0.250  1.0
  Lu  Lu7  1  0.836  0.164  0.750  1.0
[/CIF]
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