The compound described by NdNiAl4 crystallizes in the orthorhombic Cmcm space group. Nd(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), three equivalent Al(2), four equivalent Al(1), and six equivalent Al(3) atoms. Ni(1) is bonded in a 7-coordinate geometry to two equivalent Nd(1), one Al(2), and six equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to four equivalent Nd(1), two equivalent Al(3), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to three equivalent Nd(1), one Ni(1), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to three equivalent Nd(1), three equivalent Ni(1), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdAl4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.148
_cell_length_b   6.561
_cell_length_c   8.159
_cell_angle_alpha   90.000
_cell_angle_beta   104.724
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.741
_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  0.886  0.250  0.771  1.0
  Nd  Nd1  1  0.114  0.750  0.229  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
  Al  Al4  1  0.077  0.250  0.155  1.0
  Al  Al5  1  0.923  0.750  0.845  1.0
  Al  Al6  1  0.692  0.052  0.383  1.0
  Al  Al7  1  0.308  0.948  0.617  1.0
  Al  Al8  1  0.692  0.448  0.383  1.0
  Al  Al9  1  0.308  0.552  0.617  1.0
  Ni  Ni10  1  0.223  0.250  0.446  1.0
  Ni  Ni11  1  0.777  0.750  0.554  1.0
[/CIF]
.
The compound described by NdNiAl4 crystallizes in the orthorhombic Cmcm space group. Nd(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), three equivalent Al(2), four equivalent Al(1), and six equivalent Al(3) atoms. Ni(1) is bonded in a 7-coordinate geometry to two equivalent Nd(1), one Al(2), and six equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to four equivalent Nd(1), two equivalent Al(3), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to three equivalent Nd(1), one Ni(1), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to three equivalent Nd(1), three equivalent Ni(1), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdAl4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.148
_cell_length_b   6.561
_cell_length_c   8.159
_cell_angle_alpha   90.000
_cell_angle_beta   104.724
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.741
_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  0.886  0.250  0.771  1.0
  Nd  Nd1  1  0.114  0.750  0.229  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
  Al  Al4  1  0.077  0.250  0.155  1.0
  Al  Al5  1  0.923  0.750  0.845  1.0
  Al  Al6  1  0.692  0.052  0.383  1.0
  Al  Al7  1  0.308  0.948  0.617  1.0
  Al  Al8  1  0.692  0.448  0.383  1.0
  Al  Al9  1  0.308  0.552  0.617  1.0
  Ni  Ni10  1  0.223  0.250  0.446  1.0
  Ni  Ni11  1  0.777  0.750  0.554  1.0
[/CIF]
.