The structure described by Nd6Fe11Al3 crystallizes in the tetragonal I4cm space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to one Fe(1), three equivalent Fe(5), and two equivalent Al(1) atoms. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one Fe(2), two equivalent Al(1), and three equivalent Al(2) atoms. In the third Nd site, Nd(3) is bonded in a 13-coordinate geometry to four equivalent Fe(1), four equivalent Fe(3), four equivalent Fe(5), and one Al(1) atom. In the fourth Nd site, Nd(4) is bonded in a 13-coordinate geometry to four equivalent Fe(2), four equivalent Fe(3), one Al(1), and four equivalent Al(2) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to one Nd(1), two equivalent Nd(3), one Fe(2), one Fe(4), three equivalent Fe(5), and four equivalent Fe(3) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to one Nd(2), two equivalent Nd(4), one Fe(1), one Fe(4), four equivalent Fe(3), and three equivalent Al(2) atoms. In the third Fe site, Fe(3) is bonded to one Nd(3), one Nd(4), one Fe(4), one Fe(5), two equivalent Fe(1), two equivalent Fe(2), three equivalent Fe(3), and one Al(2) atom to form FeNd2AlFe9 cuboctahedra that share  a cornercorner with one Fe(4)Al2Fe10 cuboctahedra, corners with two equivalent Fe(5)Nd5Fe7 cuboctahedra, corners with three equivalent Fe(3)Nd2AlFe9 cuboctahedra, faces with two equivalent Fe(4)Al2Fe10 cuboctahedra, faces with four equivalent Fe(5)Nd5Fe7 cuboctahedra, and faces with seven equivalent Fe(3)Nd2AlFe9 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), four equivalent Fe(3), and two equivalent Al(2) atoms to form FeAl2Fe10 cuboctahedra that share corners with two equivalent Fe(5)Nd5Fe7 cuboctahedra, corners with four equivalent Fe(3)Nd2AlFe9 cuboctahedra, faces with two equivalent Fe(5)Nd5Fe7 cuboctahedra, and faces with eight equivalent Fe(3)Nd2AlFe9 cuboctahedra. In the fifth Fe site, Fe(5) is bonded to two equivalent Nd(3), three equivalent Nd(1), one Fe(4), one Fe(5), two equivalent Fe(3), and three equivalent Fe(1) atoms to form distorted FeNd5Fe7 cuboctahedra that share  a cornercorner with one Fe(4)Al2Fe10 cuboctahedra, corners with two equivalent Fe(5)Nd5Fe7 cuboctahedra, corners with four equivalent Fe(3)Nd2AlFe9 cuboctahedra,  a faceface with one Fe(4)Al2Fe10 cuboctahedra, faces with five equivalent Fe(5)Nd5Fe7 cuboctahedra, and faces with eight equivalent Fe(3)Nd2AlFe9 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted q6 geometry to one Nd(3), one Nd(4), four equivalent Nd(1), and four equivalent Nd(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Nd(4), three equivalent Nd(2), one Fe(4), two equivalent Fe(3), three equivalent Fe(2), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd6Al3Fe11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.112
_cell_length_b   8.112
_cell_length_c   12.930
_cell_angle_alpha   71.719
_cell_angle_beta   71.719
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   762.573
_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  0.978  0.149  0.373  1.0
  Nd  Nd1  1  0.649  0.478  0.373  1.0
  Nd  Nd2  1  0.149  0.649  0.373  1.0
  Nd  Nd3  1  0.478  0.978  0.373  1.0
  Nd  Nd4  1  0.024  0.859  0.617  1.0
  Nd  Nd5  1  0.359  0.524  0.617  1.0
  Nd  Nd6  1  0.859  0.359  0.617  1.0
  Nd  Nd7  1  0.524  0.024  0.617  1.0
  Nd  Nd8  1  0.893  0.893  0.213  1.0
  Nd  Nd9  1  0.393  0.393  0.213  1.0
  Nd  Nd10  1  0.107  0.107  0.786  1.0
  Nd  Nd11  1  0.607  0.607  0.786  1.0
  Al  Al12  1  0.750  0.750  0.500  1.0
  Al  Al13  1  0.250  0.250  0.500  1.0
  Al  Al14  1  0.713  0.975  0.812  1.0
  Al  Al15  1  0.475  0.213  0.812  1.0
  Al  Al16  1  0.975  0.475  0.812  1.0
  Al  Al17  1  0.213  0.713  0.812  1.0
  Fe  Fe18  1  0.120  0.261  0.119  1.0
  Fe  Fe19  1  0.761  0.620  0.119  1.0
  Fe  Fe20  1  0.261  0.761  0.119  1.0
  Fe  Fe21  1  0.620  0.120  0.119  1.0
  Fe  Fe22  1  0.881  0.733  0.886  1.0
  Fe  Fe23  1  0.233  0.381  0.886  1.0
  Fe  Fe24  1  0.733  0.233  0.886  1.0
  Fe  Fe25  1  0.381  0.881  0.886  1.0
  Fe  Fe26  1  0.067  0.790  0.001  1.0
  Fe  Fe27  1  0.931  0.209  0.001  1.0
  Fe  Fe28  1  0.431  0.290  0.001  1.0
  Fe  Fe29  1  0.567  0.709  0.001  1.0
  Fe  Fe30  1  0.790  0.931  0.001  1.0
  Fe  Fe31  1  0.209  0.067  0.001  1.0
  Fe  Fe32  1  0.290  0.567  0.001  1.0
  Fe  Fe33  1  0.709  0.431  0.001  1.0
  Fe  Fe34  1  0.999  0.499  0.003  1.0
  Fe  Fe35  1  0.499  0.999  0.003  1.0
  Fe  Fe36  1  0.291  0.019  0.190  1.0
  Fe  Fe37  1  0.519  0.791  0.190  1.0
  Fe  Fe38  1  0.019  0.519  0.190  1.0
  Fe  Fe39  1  0.791  0.291  0.190  1.0
[/CIF]
.
The structure described by Nd6Fe11Al3 crystallizes in the tetragonal I4cm space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to one Fe(1), three equivalent Fe(5), and two equivalent Al(1) atoms. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one Fe(2), two equivalent Al(1), and three equivalent Al(2) atoms. In the third Nd site, Nd(3) is bonded in a 13-coordinate geometry to four equivalent Fe(1), four equivalent Fe(3), four equivalent Fe(5), and one Al(1) atom. In the fourth Nd site, Nd(4) is bonded in a 13-coordinate geometry to four equivalent Fe(2), four equivalent Fe(3), one Al(1), and four equivalent Al(2) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to one Nd(1), two equivalent Nd(3), one Fe(2), one Fe(4), three equivalent Fe(5), and four equivalent Fe(3) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to one Nd(2), two equivalent Nd(4), one Fe(1), one Fe(4), four equivalent Fe(3), and three equivalent Al(2) atoms. In the third Fe site, Fe(3) is bonded to one Nd(3), one Nd(4), one Fe(4), one Fe(5), two equivalent Fe(1), two equivalent Fe(2), three equivalent Fe(3), and one Al(2) atom to form FeNd2AlFe9 cuboctahedra that share  a cornercorner with one Fe(4)Al2Fe10 cuboctahedra, corners with two equivalent Fe(5)Nd5Fe7 cuboctahedra, corners with three equivalent Fe(3)Nd2AlFe9 cuboctahedra, faces with two equivalent Fe(4)Al2Fe10 cuboctahedra, faces with four equivalent Fe(5)Nd5Fe7 cuboctahedra, and faces with seven equivalent Fe(3)Nd2AlFe9 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), four equivalent Fe(3), and two equivalent Al(2) atoms to form FeAl2Fe10 cuboctahedra that share corners with two equivalent Fe(5)Nd5Fe7 cuboctahedra, corners with four equivalent Fe(3)Nd2AlFe9 cuboctahedra, faces with two equivalent Fe(5)Nd5Fe7 cuboctahedra, and faces with eight equivalent Fe(3)Nd2AlFe9 cuboctahedra. In the fifth Fe site, Fe(5) is bonded to two equivalent Nd(3), three equivalent Nd(1), one Fe(4), one Fe(5), two equivalent Fe(3), and three equivalent Fe(1) atoms to form distorted FeNd5Fe7 cuboctahedra that share  a cornercorner with one Fe(4)Al2Fe10 cuboctahedra, corners with two equivalent Fe(5)Nd5Fe7 cuboctahedra, corners with four equivalent Fe(3)Nd2AlFe9 cuboctahedra,  a faceface with one Fe(4)Al2Fe10 cuboctahedra, faces with five equivalent Fe(5)Nd5Fe7 cuboctahedra, and faces with eight equivalent Fe(3)Nd2AlFe9 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted q6 geometry to one Nd(3), one Nd(4), four equivalent Nd(1), and four equivalent Nd(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Nd(4), three equivalent Nd(2), one Fe(4), two equivalent Fe(3), three equivalent Fe(2), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd6Al3Fe11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.112
_cell_length_b   8.112
_cell_length_c   12.930
_cell_angle_alpha   71.719
_cell_angle_beta   71.719
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   762.573
_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  0.978  0.149  0.373  1.0
  Nd  Nd1  1  0.649  0.478  0.373  1.0
  Nd  Nd2  1  0.149  0.649  0.373  1.0
  Nd  Nd3  1  0.478  0.978  0.373  1.0
  Nd  Nd4  1  0.024  0.859  0.617  1.0
  Nd  Nd5  1  0.359  0.524  0.617  1.0
  Nd  Nd6  1  0.859  0.359  0.617  1.0
  Nd  Nd7  1  0.524  0.024  0.617  1.0
  Nd  Nd8  1  0.893  0.893  0.213  1.0
  Nd  Nd9  1  0.393  0.393  0.213  1.0
  Nd  Nd10  1  0.107  0.107  0.786  1.0
  Nd  Nd11  1  0.607  0.607  0.786  1.0
  Al  Al12  1  0.750  0.750  0.500  1.0
  Al  Al13  1  0.250  0.250  0.500  1.0
  Al  Al14  1  0.713  0.975  0.812  1.0
  Al  Al15  1  0.475  0.213  0.812  1.0
  Al  Al16  1  0.975  0.475  0.812  1.0
  Al  Al17  1  0.213  0.713  0.812  1.0
  Fe  Fe18  1  0.120  0.261  0.119  1.0
  Fe  Fe19  1  0.761  0.620  0.119  1.0
  Fe  Fe20  1  0.261  0.761  0.119  1.0
  Fe  Fe21  1  0.620  0.120  0.119  1.0
  Fe  Fe22  1  0.881  0.733  0.886  1.0
  Fe  Fe23  1  0.233  0.381  0.886  1.0
  Fe  Fe24  1  0.733  0.233  0.886  1.0
  Fe  Fe25  1  0.381  0.881  0.886  1.0
  Fe  Fe26  1  0.067  0.790  0.001  1.0
  Fe  Fe27  1  0.931  0.209  0.001  1.0
  Fe  Fe28  1  0.431  0.290  0.001  1.0
  Fe  Fe29  1  0.567  0.709  0.001  1.0
  Fe  Fe30  1  0.790  0.931  0.001  1.0
  Fe  Fe31  1  0.209  0.067  0.001  1.0
  Fe  Fe32  1  0.290  0.567  0.001  1.0
  Fe  Fe33  1  0.709  0.431  0.001  1.0
  Fe  Fe34  1  0.999  0.499  0.003  1.0
  Fe  Fe35  1  0.499  0.999  0.003  1.0
  Fe  Fe36  1  0.291  0.019  0.190  1.0
  Fe  Fe37  1  0.519  0.791  0.190  1.0
  Fe  Fe38  1  0.019  0.519  0.190  1.0
  Fe  Fe39  1  0.791  0.291  0.190  1.0
[/CIF]
.