The structure described by Nd3Zn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Nd(1), four equivalent Nd(2), and four equivalent Zn(1) atoms to form distorted NdNd8Zn4 cuboctahedra that share corners with twelve equivalent Nd(1)Nd8Zn4 cuboctahedra, edges with eight equivalent Nd(1)Nd8Zn4 cuboctahedra, edges with eight equivalent Nd(2)Nd8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Nd12 cuboctahedra, faces with four equivalent Nd(2)Nd8Zn4 cuboctahedra, faces with four equivalent Zn(1)Nd12 cuboctahedra, and faces with ten equivalent Nd(1)Nd8Zn4 cuboctahedra. In the second Nd site, Nd(2) is bonded to eight equivalent Nd(1) and four equivalent Zn(1) atoms to form distorted NdNd8Zn4 cuboctahedra that share corners with four equivalent Nd(2)Nd8Zn4 cuboctahedra, corners with eight equivalent Zn(1)Nd12 cuboctahedra, edges with eight equivalent Nd(2)Nd8Zn4 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Zn4 cuboctahedra, faces with four equivalent Nd(2)Nd8Zn4 cuboctahedra, faces with six equivalent Zn(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Zn4 cuboctahedra. Zn(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form ZnNd12 cuboctahedra that share corners with four equivalent Zn(1)Nd12 cuboctahedra, corners with eight equivalent Nd(2)Nd8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Zn4 cuboctahedra, faces with four equivalent Zn(1)Nd12 cuboctahedra, faces with six equivalent Nd(2)Nd8Zn4 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Zn4 cuboctahedra. is represented by the CIF file [CIF]
data_Nd3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   6.057
_cell_length_c   6.057
_cell_angle_alpha   133.169
_cell_angle_beta   133.169
_cell_angle_gamma   68.388
_symmetry_Int_Tables_number   1
_cell_volume   116.086
_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  0.750  0.250  0.500  1.0
  Nd  Nd1  1  0.250  0.750  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by Nd3Zn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Nd(1), four equivalent Nd(2), and four equivalent Zn(1) atoms to form distorted NdNd8Zn4 cuboctahedra that share corners with twelve equivalent Nd(1)Nd8Zn4 cuboctahedra, edges with eight equivalent Nd(1)Nd8Zn4 cuboctahedra, edges with eight equivalent Nd(2)Nd8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Nd12 cuboctahedra, faces with four equivalent Nd(2)Nd8Zn4 cuboctahedra, faces with four equivalent Zn(1)Nd12 cuboctahedra, and faces with ten equivalent Nd(1)Nd8Zn4 cuboctahedra. In the second Nd site, Nd(2) is bonded to eight equivalent Nd(1) and four equivalent Zn(1) atoms to form distorted NdNd8Zn4 cuboctahedra that share corners with four equivalent Nd(2)Nd8Zn4 cuboctahedra, corners with eight equivalent Zn(1)Nd12 cuboctahedra, edges with eight equivalent Nd(2)Nd8Zn4 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Zn4 cuboctahedra, faces with four equivalent Nd(2)Nd8Zn4 cuboctahedra, faces with six equivalent Zn(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Zn4 cuboctahedra. Zn(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form ZnNd12 cuboctahedra that share corners with four equivalent Zn(1)Nd12 cuboctahedra, corners with eight equivalent Nd(2)Nd8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Zn4 cuboctahedra, faces with four equivalent Zn(1)Nd12 cuboctahedra, faces with six equivalent Nd(2)Nd8Zn4 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Zn4 cuboctahedra. is represented by the CIF file [CIF]
data_Nd3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   6.057
_cell_length_c   6.057
_cell_angle_alpha   133.169
_cell_angle_beta   133.169
_cell_angle_gamma   68.388
_symmetry_Int_Tables_number   1
_cell_volume   116.086
_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  0.750  0.250  0.500  1.0
  Nd  Nd1  1  0.250  0.750  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
[/CIF]
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