The crystal structure described by NdCu9Al2 crystallizes in the tetragonal I4_1/amd space group. Nd(1) is bonded in a 18-coordinate geometry to two equivalent Cu(2) and sixteen equivalent Cu(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded in a 14-coordinate geometry to two equivalent Nd(1), eight equivalent Cu(1), and four equivalent Al(1) atoms. In the second Cu site, Cu(1) is bonded in a 12-coordinate geometry to two equivalent Nd(1), one Cu(2), seven equivalent Cu(1), and two equivalent Al(1) atoms. Al(1) is bonded in a distorted q6 geometry to two equivalent Cu(2) and eight equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_NdAl2Cu9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.838
_cell_length_b   7.838
_cell_length_c   7.838
_cell_angle_alpha   100.127
_cell_angle_beta   100.127
_cell_angle_gamma   130.418
_symmetry_Int_Tables_number   1
_cell_volume   332.852
_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  0.000  0.000  1.0
  Nd  Nd1  1  0.250  0.750  0.500  1.0
  Al  Al2  1  0.625  0.875  0.250  1.0
  Al  Al3  1  0.625  0.375  0.750  1.0
  Al  Al4  1  0.625  0.375  0.250  1.0
  Al  Al5  1  0.125  0.375  0.750  1.0
  Cu  Cu6  1  0.900  0.568  0.085  1.0
  Cu  Cu7  1  0.484  0.815  0.915  1.0
  Cu  Cu8  1  0.766  0.182  0.832  1.0
  Cu  Cu9  1  0.350  0.935  0.168  1.0
  Cu  Cu10  1  0.432  0.100  0.915  1.0
  Cu  Cu11  1  0.185  0.516  0.085  1.0
  Cu  Cu12  1  0.818  0.234  0.168  1.0
  Cu  Cu13  1  0.065  0.650  0.832  1.0
  Cu  Cu14  1  0.350  0.182  0.415  1.0
  Cu  Cu15  1  0.766  0.935  0.585  1.0
  Cu  Cu16  1  0.484  0.568  0.668  1.0
  Cu  Cu17  1  0.900  0.815  0.332  1.0
  Cu  Cu18  1  0.818  0.650  0.585  1.0
  Cu  Cu19  1  0.065  0.234  0.415  1.0
  Cu  Cu20  1  0.432  0.516  0.332  1.0
  Cu  Cu21  1  0.185  0.100  0.668  1.0
  Cu  Cu22  1  0.750  0.250  0.500  1.0
  Cu  Cu23  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by NdCu9Al2 crystallizes in the tetragonal I4_1/amd space group. Nd(1) is bonded in a 18-coordinate geometry to two equivalent Cu(2) and sixteen equivalent Cu(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded in a 14-coordinate geometry to two equivalent Nd(1), eight equivalent Cu(1), and four equivalent Al(1) atoms. In the second Cu site, Cu(1) is bonded in a 12-coordinate geometry to two equivalent Nd(1), one Cu(2), seven equivalent Cu(1), and two equivalent Al(1) atoms. Al(1) is bonded in a distorted q6 geometry to two equivalent Cu(2) and eight equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_NdAl2Cu9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.838
_cell_length_b   7.838
_cell_length_c   7.838
_cell_angle_alpha   100.127
_cell_angle_beta   100.127
_cell_angle_gamma   130.418
_symmetry_Int_Tables_number   1
_cell_volume   332.852
_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  0.000  0.000  1.0
  Nd  Nd1  1  0.250  0.750  0.500  1.0
  Al  Al2  1  0.625  0.875  0.250  1.0
  Al  Al3  1  0.625  0.375  0.750  1.0
  Al  Al4  1  0.625  0.375  0.250  1.0
  Al  Al5  1  0.125  0.375  0.750  1.0
  Cu  Cu6  1  0.900  0.568  0.085  1.0
  Cu  Cu7  1  0.484  0.815  0.915  1.0
  Cu  Cu8  1  0.766  0.182  0.832  1.0
  Cu  Cu9  1  0.350  0.935  0.168  1.0
  Cu  Cu10  1  0.432  0.100  0.915  1.0
  Cu  Cu11  1  0.185  0.516  0.085  1.0
  Cu  Cu12  1  0.818  0.234  0.168  1.0
  Cu  Cu13  1  0.065  0.650  0.832  1.0
  Cu  Cu14  1  0.350  0.182  0.415  1.0
  Cu  Cu15  1  0.766  0.935  0.585  1.0
  Cu  Cu16  1  0.484  0.568  0.668  1.0
  Cu  Cu17  1  0.900  0.815  0.332  1.0
  Cu  Cu18  1  0.818  0.650  0.585  1.0
  Cu  Cu19  1  0.065  0.234  0.415  1.0
  Cu  Cu20  1  0.432  0.516  0.332  1.0
  Cu  Cu21  1  0.185  0.100  0.668  1.0
  Cu  Cu22  1  0.750  0.250  0.500  1.0
  Cu  Cu23  1  0.500  0.500  0.000  1.0
[/CIF]
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