The crystal structure described by Nd3Cu 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 Cu(1) atoms to form distorted NdNd8Cu4 cuboctahedra that share corners with twelve equivalent Nd(1)Nd8Cu4 cuboctahedra, edges with eight equivalent Nd(1)Nd8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Nd12 cuboctahedra, faces with four equivalent Cu(1)Nd12 cuboctahedra, and faces with ten equivalent Nd(1)Nd8Cu4 cuboctahedra. In the second Nd site, Nd(2) is bonded in a distorted square co-planar geometry to eight equivalent Nd(1) and four equivalent Cu(1) atoms. Cu(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form CuNd12 cuboctahedra that share corners with four equivalent Cu(1)Nd12 cuboctahedra, edges with eight equivalent Cu(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Cu4 cuboctahedra, faces with four equivalent Cu(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Cu4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.015
_cell_length_b   6.015
_cell_length_c   6.015
_cell_angle_alpha   134.267
_cell_angle_beta   134.267
_cell_angle_gamma   66.671
_symmetry_Int_Tables_number   1
_cell_volume   109.804
_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
  Cu  Cu3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Nd3Cu 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 Cu(1) atoms to form distorted NdNd8Cu4 cuboctahedra that share corners with twelve equivalent Nd(1)Nd8Cu4 cuboctahedra, edges with eight equivalent Nd(1)Nd8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Nd12 cuboctahedra, faces with four equivalent Cu(1)Nd12 cuboctahedra, and faces with ten equivalent Nd(1)Nd8Cu4 cuboctahedra. In the second Nd site, Nd(2) is bonded in a distorted square co-planar geometry to eight equivalent Nd(1) and four equivalent Cu(1) atoms. Cu(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form CuNd12 cuboctahedra that share corners with four equivalent Cu(1)Nd12 cuboctahedra, edges with eight equivalent Cu(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Cu4 cuboctahedra, faces with four equivalent Cu(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Cu4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.015
_cell_length_b   6.015
_cell_length_c   6.015
_cell_angle_alpha   134.267
_cell_angle_beta   134.267
_cell_angle_gamma   66.671
_symmetry_Int_Tables_number   1
_cell_volume   109.804
_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
  Cu  Cu3  1  0.000  0.000  0.000  1.0
[/CIF]
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