The material structure described by NdCuAl crystallizes in the hexagonal P-62m space group. Nd(1) is bonded in a 11-coordinate geometry to one Cu(2), four equivalent Cu(1), and six equivalent Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Al(1) atoms. In the second Cu site, Cu(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three equivalent Al(1) atoms. Al(1) is bonded in a 12-coordinate geometry to six equivalent Nd(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.219
_cell_length_b   7.219
_cell_length_c   4.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   183.927
_cell_formula_units_Z   3
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  0.418  0.418  0.500  1.0
  Nd  Nd1  1  0.582  0.000  0.500  1.0
  Nd  Nd2  1  0.000  0.582  0.500  1.0
  Al  Al3  1  0.774  0.774  0.000  1.0
  Al  Al4  1  0.226  0.000  0.000  1.0
  Al  Al5  1  0.000  0.226  0.000  1.0
  Cu  Cu6  1  0.667  0.333  0.000  1.0
  Cu  Cu7  1  0.333  0.667  0.000  1.0
  Cu  Cu8  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by NdCuAl crystallizes in the hexagonal P-62m space group. Nd(1) is bonded in a 11-coordinate geometry to one Cu(2), four equivalent Cu(1), and six equivalent Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Al(1) atoms. In the second Cu site, Cu(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three equivalent Al(1) atoms. Al(1) is bonded in a 12-coordinate geometry to six equivalent Nd(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.219
_cell_length_b   7.219
_cell_length_c   4.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   183.927
_cell_formula_units_Z   3
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  0.418  0.418  0.500  1.0
  Nd  Nd1  1  0.582  0.000  0.500  1.0
  Nd  Nd2  1  0.000  0.582  0.500  1.0
  Al  Al3  1  0.774  0.774  0.000  1.0
  Al  Al4  1  0.226  0.000  0.000  1.0
  Al  Al5  1  0.000  0.226  0.000  1.0
  Cu  Cu6  1  0.667  0.333  0.000  1.0
  Cu  Cu7  1  0.333  0.667  0.000  1.0
  Cu  Cu8  1  0.000  0.000  0.500  1.0
[/CIF]
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