The material described by Nd6Fe13Zn crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to one Fe(1), three equivalent Fe(3), and two equivalent Zn(1) atoms. In the second Nd site, Nd(2) is bonded in a 13-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), four equivalent Fe(3), and one Zn(1) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(2) is bonded to two equivalent Nd(2), one Fe(4), two equivalent Fe(3), three equivalent Fe(2), and four equivalent Fe(1) atoms to form FeNd2Fe10 cuboctahedra that share  a cornercorner with one Fe(4)Fe12 cuboctahedra, corners with three equivalent Fe(2)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(3)Nd5Fe7 cuboctahedra, faces with two equivalent Fe(4)Fe12 cuboctahedra, faces with seven equivalent Fe(2)Nd2Fe10 cuboctahedra, and faces with eight equivalent Fe(3)Nd5Fe7 cuboctahedra. In the second Fe site, Fe(3) is bonded to two equivalent Nd(2), three equivalent Nd(1), one Fe(3), one Fe(4), two equivalent Fe(2), and three equivalent Fe(1) atoms to form distorted FeNd5Fe7 cuboctahedra that share  a cornercorner with one Fe(4)Fe12 cuboctahedra, corners with three equivalent Fe(3)Nd5Fe7 cuboctahedra, corners with four equivalent Fe(2)Nd2Fe10 cuboctahedra,  a faceface with one Fe(4)Fe12 cuboctahedra, faces with six equivalent Fe(3)Nd5Fe7 cuboctahedra, and faces with eight equivalent Fe(2)Nd2Fe10 cuboctahedra. In the third Fe site, Fe(4) is bonded to four equivalent Fe(1), four equivalent Fe(2), and four equivalent Fe(3) atoms to form FeFe12 cuboctahedra that share corners with four equivalent Fe(2)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(3)Nd5Fe7 cuboctahedra, faces with four equivalent Fe(3)Nd5Fe7 cuboctahedra, and faces with eight equivalent Fe(2)Nd2Fe10 cuboctahedra. In the fourth Fe site, Fe(1) is bonded in a 12-coordinate geometry to one Nd(1), two equivalent Nd(2), one Fe(1), one Fe(4), three equivalent Fe(3), and four equivalent Fe(2) atoms. Zn(1) is bonded in a distorted q6 geometry to two equivalent Nd(2) and eight equivalent Nd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd6ZnFe13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.047
_cell_length_b   8.047
_cell_length_c   12.735
_cell_angle_alpha   108.418
_cell_angle_beta   108.418
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   737.780
_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  0.975  0.475  0.624  1.0
  Nd  Nd1  1  0.649  0.149  0.624  1.0
  Nd  Nd2  1  0.149  0.975  0.624  1.0
  Nd  Nd3  1  0.475  0.649  0.624  1.0
  Nd  Nd4  1  0.025  0.525  0.376  1.0
  Nd  Nd5  1  0.351  0.851  0.376  1.0
  Nd  Nd6  1  0.851  0.025  0.376  1.0
  Nd  Nd7  1  0.525  0.351  0.376  1.0
  Nd  Nd8  1  0.608  0.608  0.216  1.0
  Nd  Nd9  1  0.108  0.108  0.216  1.0
  Nd  Nd10  1  0.392  0.392  0.784  1.0
  Nd  Nd11  1  0.892  0.892  0.784  1.0
  Zn  Zn12  1  0.250  0.250  0.500  1.0
  Zn  Zn13  1  0.750  0.750  0.500  1.0
  Fe  Fe14  1  0.118  0.618  0.880  1.0
  Fe  Fe15  1  0.762  0.262  0.880  1.0
  Fe  Fe16  1  0.262  0.118  0.880  1.0
  Fe  Fe17  1  0.618  0.762  0.880  1.0
  Fe  Fe18  1  0.882  0.382  0.120  1.0
  Fe  Fe19  1  0.238  0.738  0.120  1.0
  Fe  Fe20  1  0.738  0.882  0.120  1.0
  Fe  Fe21  1  0.382  0.238  0.120  1.0
  Fe  Fe22  1  0.710  0.567  0.000  1.0
  Fe  Fe23  1  0.290  0.433  0.000  1.0
  Fe  Fe24  1  0.790  0.067  0.000  1.0
  Fe  Fe25  1  0.210  0.933  0.000  1.0
  Fe  Fe26  1  0.567  0.290  0.000  1.0
  Fe  Fe27  1  0.433  0.710  0.000  1.0
  Fe  Fe28  1  0.067  0.210  0.000  1.0
  Fe  Fe29  1  0.933  0.790  0.000  1.0
  Fe  Fe30  1  0.290  0.790  0.807  1.0
  Fe  Fe31  1  0.517  0.017  0.807  1.0
  Fe  Fe32  1  0.017  0.290  0.807  1.0
  Fe  Fe33  1  0.790  0.517  0.807  1.0
  Fe  Fe34  1  0.710  0.210  0.193  1.0
  Fe  Fe35  1  0.483  0.983  0.193  1.0
  Fe  Fe36  1  0.983  0.710  0.193  1.0
  Fe  Fe37  1  0.210  0.483  0.193  1.0
  Fe  Fe38  1  0.000  0.500  0.000  1.0
  Fe  Fe39  1  0.500  0.000  0.000  1.0
[/CIF]
.
The material described by Nd6Fe13Zn crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to one Fe(1), three equivalent Fe(3), and two equivalent Zn(1) atoms. In the second Nd site, Nd(2) is bonded in a 13-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), four equivalent Fe(3), and one Zn(1) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(2) is bonded to two equivalent Nd(2), one Fe(4), two equivalent Fe(3), three equivalent Fe(2), and four equivalent Fe(1) atoms to form FeNd2Fe10 cuboctahedra that share  a cornercorner with one Fe(4)Fe12 cuboctahedra, corners with three equivalent Fe(2)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(3)Nd5Fe7 cuboctahedra, faces with two equivalent Fe(4)Fe12 cuboctahedra, faces with seven equivalent Fe(2)Nd2Fe10 cuboctahedra, and faces with eight equivalent Fe(3)Nd5Fe7 cuboctahedra. In the second Fe site, Fe(3) is bonded to two equivalent Nd(2), three equivalent Nd(1), one Fe(3), one Fe(4), two equivalent Fe(2), and three equivalent Fe(1) atoms to form distorted FeNd5Fe7 cuboctahedra that share  a cornercorner with one Fe(4)Fe12 cuboctahedra, corners with three equivalent Fe(3)Nd5Fe7 cuboctahedra, corners with four equivalent Fe(2)Nd2Fe10 cuboctahedra,  a faceface with one Fe(4)Fe12 cuboctahedra, faces with six equivalent Fe(3)Nd5Fe7 cuboctahedra, and faces with eight equivalent Fe(2)Nd2Fe10 cuboctahedra. In the third Fe site, Fe(4) is bonded to four equivalent Fe(1), four equivalent Fe(2), and four equivalent Fe(3) atoms to form FeFe12 cuboctahedra that share corners with four equivalent Fe(2)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(3)Nd5Fe7 cuboctahedra, faces with four equivalent Fe(3)Nd5Fe7 cuboctahedra, and faces with eight equivalent Fe(2)Nd2Fe10 cuboctahedra. In the fourth Fe site, Fe(1) is bonded in a 12-coordinate geometry to one Nd(1), two equivalent Nd(2), one Fe(1), one Fe(4), three equivalent Fe(3), and four equivalent Fe(2) atoms. Zn(1) is bonded in a distorted q6 geometry to two equivalent Nd(2) and eight equivalent Nd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd6ZnFe13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.047
_cell_length_b   8.047
_cell_length_c   12.735
_cell_angle_alpha   108.418
_cell_angle_beta   108.418
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   737.780
_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  0.975  0.475  0.624  1.0
  Nd  Nd1  1  0.649  0.149  0.624  1.0
  Nd  Nd2  1  0.149  0.975  0.624  1.0
  Nd  Nd3  1  0.475  0.649  0.624  1.0
  Nd  Nd4  1  0.025  0.525  0.376  1.0
  Nd  Nd5  1  0.351  0.851  0.376  1.0
  Nd  Nd6  1  0.851  0.025  0.376  1.0
  Nd  Nd7  1  0.525  0.351  0.376  1.0
  Nd  Nd8  1  0.608  0.608  0.216  1.0
  Nd  Nd9  1  0.108  0.108  0.216  1.0
  Nd  Nd10  1  0.392  0.392  0.784  1.0
  Nd  Nd11  1  0.892  0.892  0.784  1.0
  Zn  Zn12  1  0.250  0.250  0.500  1.0
  Zn  Zn13  1  0.750  0.750  0.500  1.0
  Fe  Fe14  1  0.118  0.618  0.880  1.0
  Fe  Fe15  1  0.762  0.262  0.880  1.0
  Fe  Fe16  1  0.262  0.118  0.880  1.0
  Fe  Fe17  1  0.618  0.762  0.880  1.0
  Fe  Fe18  1  0.882  0.382  0.120  1.0
  Fe  Fe19  1  0.238  0.738  0.120  1.0
  Fe  Fe20  1  0.738  0.882  0.120  1.0
  Fe  Fe21  1  0.382  0.238  0.120  1.0
  Fe  Fe22  1  0.710  0.567  0.000  1.0
  Fe  Fe23  1  0.290  0.433  0.000  1.0
  Fe  Fe24  1  0.790  0.067  0.000  1.0
  Fe  Fe25  1  0.210  0.933  0.000  1.0
  Fe  Fe26  1  0.567  0.290  0.000  1.0
  Fe  Fe27  1  0.433  0.710  0.000  1.0
  Fe  Fe28  1  0.067  0.210  0.000  1.0
  Fe  Fe29  1  0.933  0.790  0.000  1.0
  Fe  Fe30  1  0.290  0.790  0.807  1.0
  Fe  Fe31  1  0.517  0.017  0.807  1.0
  Fe  Fe32  1  0.017  0.290  0.807  1.0
  Fe  Fe33  1  0.790  0.517  0.807  1.0
  Fe  Fe34  1  0.710  0.210  0.193  1.0
  Fe  Fe35  1  0.483  0.983  0.193  1.0
  Fe  Fe36  1  0.983  0.710  0.193  1.0
  Fe  Fe37  1  0.210  0.483  0.193  1.0
  Fe  Fe38  1  0.000  0.500  0.000  1.0
  Fe  Fe39  1  0.500  0.000  0.000  1.0
[/CIF]
.