The material structure described by NdY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Nd(1) is bonded to twelve Y(1,1,1) atoms to form NdY12 cuboctahedra that share corners with six equivalent Nd(1)Y12 cuboctahedra; corners with twelve equivalent Y(1)Nd4Y8 cuboctahedra; edges with eighteen Y(1,1,1)Nd4Y8 cuboctahedra; faces with eight equivalent Nd(1)Y12 cuboctahedra; and faces with twelve Y(1,1,1)Nd4Y8 cuboctahedra. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Nd(1) and eight Y(1,1,1) atoms to form YNd4Y8 cuboctahedra that share corners with four equivalent Nd(1)Y12 cuboctahedra; corners with fourteen Y(1,1,1)Nd4Y8 cuboctahedra; edges with six equivalent Nd(1)Y12 cuboctahedra; edges with twelve Y(1,1,1)Nd4Y8 cuboctahedra; faces with four equivalent Nd(1)Y12 cuboctahedra; and faces with sixteen Y(1,1,1)Nd4Y8 cuboctahedra. In the second Y site, Y(1) is bonded to four equivalent Nd(1) and eight Y(1,1) atoms to form YNd4Y8 cuboctahedra that share corners with four equivalent Nd(1)Y12 cuboctahedra; corners with fourteen Y(1,1,1)Nd4Y8 cuboctahedra; edges with six equivalent Nd(1)Y12 cuboctahedra; edges with twelve Y(1,1)Nd4Y8 cuboctahedra; faces with four equivalent Nd(1)Y12 cuboctahedra; and faces with sixteen Y(1,1,1)Nd4Y8 cuboctahedra. In the third Y site, Y(1) is bonded to four equivalent Nd(1) and eight Y(1,1) atoms to form YNd4Y8 cuboctahedra that share corners with four equivalent Nd(1)Y12 cuboctahedra; corners with fourteen Y(1,1,1)Nd4Y8 cuboctahedra; edges with six equivalent Nd(1)Y12 cuboctahedra; edges with twelve Y(1,1)Nd4Y8 cuboctahedra; faces with four equivalent Nd(1)Y12 cuboctahedra; and faces with sixteen Y(1,1,1)Nd4Y8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdY3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.355
_cell_length_b   7.355
_cell_length_c   5.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   276.343
_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
  Y  Y2  1  0.835  0.165  0.750  1.0
  Y  Y3  1  0.330  0.165  0.750  1.0
  Y  Y4  1  0.835  0.670  0.750  1.0
  Y  Y5  1  0.165  0.835  0.250  1.0
  Y  Y6  1  0.670  0.835  0.250  1.0
  Y  Y7  1  0.165  0.330  0.250  1.0
[/CIF]
.
The material structure described by NdY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Nd(1) is bonded to twelve Y(1,1,1) atoms to form NdY12 cuboctahedra that share corners with six equivalent Nd(1)Y12 cuboctahedra; corners with twelve equivalent Y(1)Nd4Y8 cuboctahedra; edges with eighteen Y(1,1,1)Nd4Y8 cuboctahedra; faces with eight equivalent Nd(1)Y12 cuboctahedra; and faces with twelve Y(1,1,1)Nd4Y8 cuboctahedra. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Nd(1) and eight Y(1,1,1) atoms to form YNd4Y8 cuboctahedra that share corners with four equivalent Nd(1)Y12 cuboctahedra; corners with fourteen Y(1,1,1)Nd4Y8 cuboctahedra; edges with six equivalent Nd(1)Y12 cuboctahedra; edges with twelve Y(1,1,1)Nd4Y8 cuboctahedra; faces with four equivalent Nd(1)Y12 cuboctahedra; and faces with sixteen Y(1,1,1)Nd4Y8 cuboctahedra. In the second Y site, Y(1) is bonded to four equivalent Nd(1) and eight Y(1,1) atoms to form YNd4Y8 cuboctahedra that share corners with four equivalent Nd(1)Y12 cuboctahedra; corners with fourteen Y(1,1,1)Nd4Y8 cuboctahedra; edges with six equivalent Nd(1)Y12 cuboctahedra; edges with twelve Y(1,1)Nd4Y8 cuboctahedra; faces with four equivalent Nd(1)Y12 cuboctahedra; and faces with sixteen Y(1,1,1)Nd4Y8 cuboctahedra. In the third Y site, Y(1) is bonded to four equivalent Nd(1) and eight Y(1,1) atoms to form YNd4Y8 cuboctahedra that share corners with four equivalent Nd(1)Y12 cuboctahedra; corners with fourteen Y(1,1,1)Nd4Y8 cuboctahedra; edges with six equivalent Nd(1)Y12 cuboctahedra; edges with twelve Y(1,1)Nd4Y8 cuboctahedra; faces with four equivalent Nd(1)Y12 cuboctahedra; and faces with sixteen Y(1,1,1)Nd4Y8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdY3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.355
_cell_length_b   7.355
_cell_length_c   5.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   276.343
_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
  Y  Y2  1  0.835  0.165  0.750  1.0
  Y  Y3  1  0.330  0.165  0.750  1.0
  Y  Y4  1  0.835  0.670  0.750  1.0
  Y  Y5  1  0.165  0.835  0.250  1.0
  Y  Y6  1  0.670  0.835  0.250  1.0
  Y  Y7  1  0.165  0.330  0.250  1.0
[/CIF]
.