The crystal structure described by Nd(AuAl)2 crystallizes in the tetragonal P4/nmm space group. Nd(1) is bonded in a 16-coordinate geometry to four equivalent Au(1), four equivalent Au(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Nd(1) and four equivalent Al(2) atoms to form distorted AuNd4Al4 tetrahedra that share corners with twelve equivalent Al(1)Nd4Au4 tetrahedra, edges with two equivalent Al(1)Nd4Au4 tetrahedra, edges with four equivalent Au(1)Nd4Al4 tetrahedra, and faces with four equivalent Au(1)Nd4Al4 tetrahedra. In the second Au site, Au(2) is bonded in a 5-coordinate geometry to four equivalent Nd(1), one Al(2), and four equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Nd(1) and four equivalent Au(2) atoms to form distorted AlNd4Au4 tetrahedra that share corners with twelve equivalent Au(1)Nd4Al4 tetrahedra, edges with two equivalent Au(1)Nd4Al4 tetrahedra, edges with four equivalent Al(1)Nd4Au4 tetrahedra, and faces with four equivalent Al(1)Nd4Au4 tetrahedra. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to four equivalent Nd(1), one Au(2), and four equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_Nd(AlAu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.387
_cell_length_b   4.387
_cell_length_c   10.468
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.480
_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  0.000  0.500  0.249  1.0
  Nd  Nd1  1  0.500  0.000  0.751  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  Al  Al4  1  0.000  0.500  0.869  1.0
  Al  Al5  1  0.500  0.000  0.131  1.0
  Au  Au6  1  0.000  0.000  0.000  1.0
  Au  Au7  1  0.500  0.500  0.000  1.0
  Au  Au8  1  0.000  0.500  0.630  1.0
  Au  Au9  1  0.500  0.000  0.370  1.0
[/CIF]
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The crystal structure described by Nd(AuAl)2 crystallizes in the tetragonal P4/nmm space group. Nd(1) is bonded in a 16-coordinate geometry to four equivalent Au(1), four equivalent Au(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Nd(1) and four equivalent Al(2) atoms to form distorted AuNd4Al4 tetrahedra that share corners with twelve equivalent Al(1)Nd4Au4 tetrahedra, edges with two equivalent Al(1)Nd4Au4 tetrahedra, edges with four equivalent Au(1)Nd4Al4 tetrahedra, and faces with four equivalent Au(1)Nd4Al4 tetrahedra. In the second Au site, Au(2) is bonded in a 5-coordinate geometry to four equivalent Nd(1), one Al(2), and four equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Nd(1) and four equivalent Au(2) atoms to form distorted AlNd4Au4 tetrahedra that share corners with twelve equivalent Au(1)Nd4Al4 tetrahedra, edges with two equivalent Au(1)Nd4Al4 tetrahedra, edges with four equivalent Al(1)Nd4Au4 tetrahedra, and faces with four equivalent Al(1)Nd4Au4 tetrahedra. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to four equivalent Nd(1), one Au(2), and four equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_Nd(AlAu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.387
_cell_length_b   4.387
_cell_length_c   10.468
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.480
_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  0.000  0.500  0.249  1.0
  Nd  Nd1  1  0.500  0.000  0.751  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  Al  Al4  1  0.000  0.500  0.869  1.0
  Al  Al5  1  0.500  0.000  0.131  1.0
  Au  Au6  1  0.000  0.000  0.000  1.0
  Au  Au7  1  0.500  0.500  0.000  1.0
  Au  Au8  1  0.000  0.500  0.630  1.0
  Au  Au9  1  0.500  0.000  0.370  1.0
[/CIF]
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