The material structure described by Nd3Y is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to six equivalent Nd(1) and six equivalent Nd(2) atoms to form NdNd12 cuboctahedra that share corners with six equivalent Nd(1)Nd12 cuboctahedra, corners with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with six equivalent Nd(1)Nd12 cuboctahedra, edges with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with twelve equivalent Nd(2)Nd9Y3 cuboctahedra, faces with six equivalent Nd(1)Nd12 cuboctahedra, and faces with twelve equivalent Nd(2)Nd9Y3 cuboctahedra. In the second Nd site, Nd(2) is bonded to three equivalent Nd(1), six equivalent Nd(2), and three equivalent Y(1) atoms to form NdNd9Y3 cuboctahedra that share corners with eighteen equivalent Nd(2)Nd9Y3 cuboctahedra, edges with six equivalent Nd(1)Nd12 cuboctahedra, edges with six equivalent Nd(2)Nd9Y3 cuboctahedra, edges with six equivalent Y(1)Nd6Y6 cuboctahedra, faces with six equivalent Nd(1)Nd12 cuboctahedra, faces with six equivalent Y(1)Nd6Y6 cuboctahedra, and faces with eight equivalent Nd(2)Nd9Y3 cuboctahedra. Y(1) is bonded to six equivalent Nd(2) and six equivalent Y(1) atoms to form YNd6Y6 cuboctahedra that share corners with six equivalent Nd(1)Nd12 cuboctahedra, corners with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with six equivalent Nd(1)Nd12 cuboctahedra, edges with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with twelve equivalent Nd(2)Nd9Y3 cuboctahedra, faces with six equivalent Y(1)Nd6Y6 cuboctahedra, and faces with twelve equivalent Nd(2)Nd9Y3 cuboctahedra. is represented by the CIF file [CIF]
data_Nd3Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.681
_cell_length_b   3.681
_cell_length_c   11.835
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   138.858
_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
  Nd  Nd0  1  0.667  0.667  0.250  1.0
  Nd  Nd1  1  0.000  1.000  0.503  1.0
  Nd  Nd2  1  0.000  1.000  0.997  1.0
  Y  Y3  1  0.333  0.333  0.750  1.0
[/CIF]
.
The material structure described by Nd3Y is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to six equivalent Nd(1) and six equivalent Nd(2) atoms to form NdNd12 cuboctahedra that share corners with six equivalent Nd(1)Nd12 cuboctahedra, corners with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with six equivalent Nd(1)Nd12 cuboctahedra, edges with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with twelve equivalent Nd(2)Nd9Y3 cuboctahedra, faces with six equivalent Nd(1)Nd12 cuboctahedra, and faces with twelve equivalent Nd(2)Nd9Y3 cuboctahedra. In the second Nd site, Nd(2) is bonded to three equivalent Nd(1), six equivalent Nd(2), and three equivalent Y(1) atoms to form NdNd9Y3 cuboctahedra that share corners with eighteen equivalent Nd(2)Nd9Y3 cuboctahedra, edges with six equivalent Nd(1)Nd12 cuboctahedra, edges with six equivalent Nd(2)Nd9Y3 cuboctahedra, edges with six equivalent Y(1)Nd6Y6 cuboctahedra, faces with six equivalent Nd(1)Nd12 cuboctahedra, faces with six equivalent Y(1)Nd6Y6 cuboctahedra, and faces with eight equivalent Nd(2)Nd9Y3 cuboctahedra. Y(1) is bonded to six equivalent Nd(2) and six equivalent Y(1) atoms to form YNd6Y6 cuboctahedra that share corners with six equivalent Nd(1)Nd12 cuboctahedra, corners with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with six equivalent Nd(1)Nd12 cuboctahedra, edges with six equivalent Y(1)Nd6Y6 cuboctahedra, edges with twelve equivalent Nd(2)Nd9Y3 cuboctahedra, faces with six equivalent Y(1)Nd6Y6 cuboctahedra, and faces with twelve equivalent Nd(2)Nd9Y3 cuboctahedra. is represented by the CIF file [CIF]
data_Nd3Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.681
_cell_length_b   3.681
_cell_length_c   11.835
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   138.858
_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
  Nd  Nd0  1  0.667  0.667  0.250  1.0
  Nd  Nd1  1  0.000  1.000  0.503  1.0
  Nd  Nd2  1  0.000  1.000  0.997  1.0
  Y  Y3  1  0.333  0.333  0.750  1.0
[/CIF]
.