The material structure described by Nd3Fe29 crystallizes in the monoclinic C2/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 19-coordinate geometry to one Fe(3), one Fe(5), one Fe(9), two equivalent Fe(10), two equivalent Fe(11), two equivalent Fe(6), four equivalent Fe(7), and six equivalent Fe(2) atoms. In the second Nd site, Nd(2) is bonded in a 20-coordinate geometry to two equivalent Fe(11), two equivalent Fe(4), two equivalent Fe(8), two equivalent Fe(9), four equivalent Fe(1), four equivalent Fe(10), and four equivalent Fe(6) atoms. There are eleven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Nd(2), two equivalent Fe(10), two equivalent Fe(4), two equivalent Fe(6), two equivalent Fe(8), and two equivalent Fe(9) atoms to form FeNd2Fe10 cuboctahedra that share corners with two equivalent Fe(1)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(7)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(9)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(2)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(1)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(10)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(6)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(11)Nd3Fe9 cuboctahedra, faces with two equivalent Fe(1)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(7)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(9)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(11)Nd3Fe9 cuboctahedra, faces with four equivalent Fe(10)Nd2Fe10 cuboctahedra, and faces with four equivalent Fe(6)Nd2Fe10 cuboctahedra. In the second Fe site, Fe(2) is bonded to three equivalent Nd(1), one Fe(10), one Fe(11), one Fe(2), one Fe(3), one Fe(5), one Fe(6), and three equivalent Fe(7) atoms to form FeNd3Fe9 cuboctahedra that share  a cornercorner with one Fe(3)Nd2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(1)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(11)Nd3Fe9 cuboctahedra, corners with three equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(7)Nd2Fe10 cuboctahedra, corners with five equivalent Fe(2)Nd3Fe9 cuboctahedra,  an edgeedge with one Fe(3)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(10)Nd2Fe10 cuboctahedra, edges with three equivalent Fe(2)Nd3Fe9 cuboctahedra,  a faceface with one Fe(3)Nd2Fe10 cuboctahedra,  a faceface with one Fe(9)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(10)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(11)Nd3Fe9 cuboctahedra, faces with three equivalent Fe(6)Nd2Fe10 cuboctahedra, faces with four equivalent Fe(2)Nd3Fe9 cuboctahedra, and faces with six equivalent Fe(7)Nd2Fe10 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Nd(1), two equivalent Fe(5), four equivalent Fe(2), and four equivalent Fe(7) atoms to form FeNd2Fe10 cuboctahedra that share corners with four equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(2)Nd3Fe9 cuboctahedra, corners with six equivalent Fe(11)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(9)Nd2Fe10 cuboctahedra, edges with four equivalent Fe(7)Nd2Fe10 cuboctahedra, edges with four equivalent Fe(2)Nd3Fe9 cuboctahedra, faces with two equivalent Fe(11)Nd3Fe9 cuboctahedra, faces with four equivalent Fe(10)Nd2Fe10 cuboctahedra, faces with four equivalent Fe(6)Nd2Fe10 cuboctahedra, faces with four equivalent Fe(7)Nd2Fe10 cuboctahedra, and faces with four equivalent Fe(2)Nd3Fe9 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Nd(2), one Fe(11), one Fe(5), one Fe(9), two equivalent Fe(1), two equivalent Fe(10), two equivalent Fe(6), two equivalent Fe(7), and two equivalent Fe(8) atoms. In the fifth Fe site, Fe(5) is bonded in a 14-coordinate geometry to one Nd(1), one Fe(3), one Fe(4), one Fe(9), two equivalent Fe(10), two equivalent Fe(2), two equivalent Fe(6), two equivalent Fe(7), and two equivalent Fe(8) atoms. In the sixth Fe site, Fe(6) is bonded to one Nd(1), one Nd(2), one Fe(1), one Fe(11), one Fe(2), one Fe(4), one Fe(5), one Fe(7), one Fe(8), one Fe(9), and two equivalent Fe(10) atoms to form distorted FeNd2Fe10 cuboctahedra that share  a cornercorner with one Fe(3)Nd2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(1)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(11)Nd3Fe9 cuboctahedra, corners with three equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with three equivalent Fe(2)Nd3Fe9 cuboctahedra, corners with four equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with five equivalent Fe(7)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(1)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(2)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(10)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(6)Nd2Fe10 cuboctahedra,  a faceface with one Fe(3)Nd2Fe10 cuboctahedra,  a faceface with one Fe(6)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(1)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(11)Nd3Fe9 cuboctahedra, faces with three equivalent Fe(10)Nd2Fe10 cuboctahedra, faces with three equivalent Fe(7)Nd2Fe10 cuboctahedra, faces with three equivalent Fe(9)Nd2Fe10 cuboctahedra, and faces with three equivalent Fe(2)Nd3Fe9 cuboctahedra. In the seventh Fe site, Fe(7) is bonded to two equivalent Nd(1), one Fe(10), one Fe(11), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), and three equivalent Fe(2) atoms to form distorted FeNd2Fe10 cuboctahedra that share  a cornercorner with one Fe(1)Nd2Fe10 cuboctahedra,  a cornercorner with one Fe(11)Nd3Fe9 cuboctahedra, corners with three equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with three equivalent Fe(9)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(2)Nd3Fe9 cuboctahedra, corners with five equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with six equivalent Fe(7)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(10)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Nd3Fe9 cuboctahedra,  an edgeedge with one Fe(2)Nd3Fe9 cuboctahedra,  a faceface with one Fe(1)Nd2Fe10 cuboctahedra,  a faceface with one Fe(3)Nd2Fe10 cuboctahedra,  a faceface with one Fe(9)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(11)Nd3Fe9 cuboctahedra, faces with three equivalent Fe(10)Nd2Fe10 cuboctahedra, faces with three equivalent Fe(6)Nd2Fe10 cuboctahedra, faces with three equivalent Fe(7)Nd2Fe10 cuboctahedra, and faces with six equivalent Fe(2)Nd3Fe9 cuboctahedra. In the eighth Fe site, Fe(8) is bonded in a 14-coordinate geometry to one Nd(2), one Fe(8), two equivalent Fe(1), two equivalent Fe(10), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(9) atoms. In the ninth Fe site, Fe(9) is bonded to one Nd(1), one Nd(2), one Fe(4), one Fe(5), two equivalent Fe(1), two equivalent Fe(10), two equivalent Fe(6), and two equivalent Fe(8) atoms to form distorted FeNd2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(2)Nd3Fe9 cuboctahedra, corners with three equivalent Fe(9)Nd2Fe10 cuboctahedra, corners with three equivalent Fe(11)Nd3Fe9 cuboctahedra, corners with four equivalent Fe(1)Nd2Fe10 cuboctahedra, corners with six equivalent Fe(7)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(10)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(2)Nd3Fe9 cuboctahedra,  a faceface with one Fe(11)Nd3Fe9 cuboctahedra, faces with two equivalent Fe(1)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(7)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(2)Nd3Fe9 cuboctahedra, faces with four equivalent Fe(10)Nd2Fe10 cuboctahedra, and faces with six equivalent Fe(6)Nd2Fe10 cuboctahedra. In the tenth Fe site, Fe(10) is bonded to one Nd(1), one Nd(2), one Fe(1), one Fe(11), one Fe(2), one Fe(4), one Fe(5), one Fe(7), one Fe(8), one Fe(9), and two equivalent Fe(6) atoms to form FeNd2Fe10 cuboctahedra that share  a cornercorner with one Fe(3)Nd2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(1)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(11)Nd3Fe9 cuboctahedra, corners with three equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with three equivalent Fe(7)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(2)Nd3Fe9 cuboctahedra,  an edgeedge with one Fe(1)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(10)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(6)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(2)Nd3Fe9 cuboctahedra,  a faceface with one Fe(3)Nd2Fe10 cuboctahedra,  a faceface with one Fe(11)Nd3Fe9 cuboctahedra, faces with two equivalent Fe(1)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(10)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(9)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(2)Nd3Fe9 cuboctahedra, faces with three equivalent Fe(6)Nd2Fe10 cuboctahedra, and faces with three equivalent Fe(7)Nd2Fe10 cuboctahedra. In the eleventh Fe site, Fe(11) is bonded to one Nd(2), two equivalent Nd(1), one Fe(4), two equivalent Fe(10), two equivalent Fe(2), two equivalent Fe(6), and two equivalent Fe(7) atoms to form FeNd3Fe9 cuboctahedra that share  a cornercorner with one Fe(11)Nd3Fe9 cuboctahedra, corners with two equivalent Fe(7)Nd2Fe10 cuboctahedra, corners with three equivalent Fe(3)Nd2Fe10 cuboctahedra, corners with three equivalent Fe(9)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(2)Nd3Fe9 cuboctahedra,  an edgeedge with one Fe(9)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(1)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(10)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(7)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(2)Nd3Fe9 cuboctahedra,  a faceface with one Fe(3)Nd2Fe10 cuboctahedra,  a faceface with one Fe(9)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(1)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(10)Nd2Fe10 cuboctahedra, faces with four equivalent Fe(6)Nd2Fe10 cuboctahedra, faces with four equivalent Fe(7)Nd2Fe10 cuboctahedra, and faces with four equivalent Fe(2)Nd3Fe9 cuboctahedra. is represented by the CIF card [CIF]
data_Nd3Fe29
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.479
_cell_length_b   6.479
_cell_length_c   10.510
_cell_angle_alpha   85.399
_cell_angle_beta   85.399
_cell_angle_gamma   82.942
_symmetry_Int_Tables_number   1
_cell_volume   435.372
_cell_formula_units_Z   1
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  0.813  0.813  0.599  1.0
  Nd  Nd1  1  0.187  0.187  0.401  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.811  0.316  0.596  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.292  0.292  0.860  1.0
  Fe  Fe8  1  0.708  0.708  0.140  1.0
  Fe  Fe9  1  0.521  0.521  0.747  1.0
  Fe  Fe10  1  0.479  0.479  0.253  1.0
  Fe  Fe11  1  0.316  0.866  0.196  1.0
  Fe  Fe12  1  0.134  0.684  0.804  1.0
  Fe  Fe13  1  0.684  0.134  0.804  1.0
  Fe  Fe14  1  0.866  0.316  0.196  1.0
  Fe  Fe15  1  0.540  0.830  0.375  1.0
  Fe  Fe16  1  0.170  0.460  0.625  1.0
  Fe  Fe17  1  0.460  0.170  0.625  1.0
  Fe  Fe18  1  0.830  0.540  0.375  1.0
  Fe  Fe19  1  0.640  0.360  0.000  1.0
  Fe  Fe20  1  0.360  0.640  0.000  1.0
  Fe  Fe21  1  0.280  0.280  0.106  1.0
  Fe  Fe22  1  0.720  0.720  0.894  1.0
  Fe  Fe23  1  0.097  0.591  0.198  1.0
  Fe  Fe24  1  0.409  0.903  0.802  1.0
  Fe  Fe25  1  0.903  0.409  0.802  1.0
  Fe  Fe26  1  0.591  0.097  0.198  1.0
  Fe  Fe27  1  0.904  0.904  0.291  1.0
  Fe  Fe28  1  0.096  0.096  0.709  1.0
  Fe  Fe29  1  0.316  0.811  0.596  1.0
  Fe  Fe30  1  0.189  0.684  0.404  1.0
  Fe  Fe31  1  0.684  0.189  0.404  1.0
[/CIF]
.
The material structure described by Nd3Fe29 crystallizes in the monoclinic C2/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 19-coordinate geometry to one Fe(3), one Fe(5), one Fe(9), two equivalent Fe(10), two equivalent Fe(11), two equivalent Fe(6), four equivalent Fe(7), and six equivalent Fe(2) atoms. In the second Nd site, Nd(2) is bonded in a 20-coordinate geometry to two equivalent Fe(11), two equivalent Fe(4), two equivalent Fe(8), two equivalent Fe(9), four equivalent Fe(1), four equivalent Fe(10), and four equivalent Fe(6) atoms. There are eleven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Nd(2), two equivalent Fe(10), two equivalent Fe(4), two equivalent Fe(6), two equivalent Fe(8), and two equivalent Fe(9) atoms to form FeNd2Fe10 cuboctahedra that share corners with two equivalent Fe(1)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(7)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(9)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(2)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(1)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(10)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(6)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(11)Nd3Fe9 cuboctahedra, faces with two equivalent Fe(1)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(7)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(9)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(11)Nd3Fe9 cuboctahedra, faces with four equivalent Fe(10)Nd2Fe10 cuboctahedra, and faces with four equivalent Fe(6)Nd2Fe10 cuboctahedra. In the second Fe site, Fe(2) is bonded to three equivalent Nd(1), one Fe(10), one Fe(11), one Fe(2), one Fe(3), one Fe(5), one Fe(6), and three equivalent Fe(7) atoms to form FeNd3Fe9 cuboctahedra that share  a cornercorner with one Fe(3)Nd2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(1)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(11)Nd3Fe9 cuboctahedra, corners with three equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(7)Nd2Fe10 cuboctahedra, corners with five equivalent Fe(2)Nd3Fe9 cuboctahedra,  an edgeedge with one Fe(3)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(10)Nd2Fe10 cuboctahedra, edges with three equivalent Fe(2)Nd3Fe9 cuboctahedra,  a faceface with one Fe(3)Nd2Fe10 cuboctahedra,  a faceface with one Fe(9)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(10)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(11)Nd3Fe9 cuboctahedra, faces with three equivalent Fe(6)Nd2Fe10 cuboctahedra, faces with four equivalent Fe(2)Nd3Fe9 cuboctahedra, and faces with six equivalent Fe(7)Nd2Fe10 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Nd(1), two equivalent Fe(5), four equivalent Fe(2), and four equivalent Fe(7) atoms to form FeNd2Fe10 cuboctahedra that share corners with four equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(2)Nd3Fe9 cuboctahedra, corners with six equivalent Fe(11)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(9)Nd2Fe10 cuboctahedra, edges with four equivalent Fe(7)Nd2Fe10 cuboctahedra, edges with four equivalent Fe(2)Nd3Fe9 cuboctahedra, faces with two equivalent Fe(11)Nd3Fe9 cuboctahedra, faces with four equivalent Fe(10)Nd2Fe10 cuboctahedra, faces with four equivalent Fe(6)Nd2Fe10 cuboctahedra, faces with four equivalent Fe(7)Nd2Fe10 cuboctahedra, and faces with four equivalent Fe(2)Nd3Fe9 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Nd(2), one Fe(11), one Fe(5), one Fe(9), two equivalent Fe(1), two equivalent Fe(10), two equivalent Fe(6), two equivalent Fe(7), and two equivalent Fe(8) atoms. In the fifth Fe site, Fe(5) is bonded in a 14-coordinate geometry to one Nd(1), one Fe(3), one Fe(4), one Fe(9), two equivalent Fe(10), two equivalent Fe(2), two equivalent Fe(6), two equivalent Fe(7), and two equivalent Fe(8) atoms. In the sixth Fe site, Fe(6) is bonded to one Nd(1), one Nd(2), one Fe(1), one Fe(11), one Fe(2), one Fe(4), one Fe(5), one Fe(7), one Fe(8), one Fe(9), and two equivalent Fe(10) atoms to form distorted FeNd2Fe10 cuboctahedra that share  a cornercorner with one Fe(3)Nd2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(1)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(11)Nd3Fe9 cuboctahedra, corners with three equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with three equivalent Fe(2)Nd3Fe9 cuboctahedra, corners with four equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with five equivalent Fe(7)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(1)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(2)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(10)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(6)Nd2Fe10 cuboctahedra,  a faceface with one Fe(3)Nd2Fe10 cuboctahedra,  a faceface with one Fe(6)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(1)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(11)Nd3Fe9 cuboctahedra, faces with three equivalent Fe(10)Nd2Fe10 cuboctahedra, faces with three equivalent Fe(7)Nd2Fe10 cuboctahedra, faces with three equivalent Fe(9)Nd2Fe10 cuboctahedra, and faces with three equivalent Fe(2)Nd3Fe9 cuboctahedra. In the seventh Fe site, Fe(7) is bonded to two equivalent Nd(1), one Fe(10), one Fe(11), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), and three equivalent Fe(2) atoms to form distorted FeNd2Fe10 cuboctahedra that share  a cornercorner with one Fe(1)Nd2Fe10 cuboctahedra,  a cornercorner with one Fe(11)Nd3Fe9 cuboctahedra, corners with three equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with three equivalent Fe(9)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(2)Nd3Fe9 cuboctahedra, corners with five equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with six equivalent Fe(7)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(10)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Nd3Fe9 cuboctahedra,  an edgeedge with one Fe(2)Nd3Fe9 cuboctahedra,  a faceface with one Fe(1)Nd2Fe10 cuboctahedra,  a faceface with one Fe(3)Nd2Fe10 cuboctahedra,  a faceface with one Fe(9)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(11)Nd3Fe9 cuboctahedra, faces with three equivalent Fe(10)Nd2Fe10 cuboctahedra, faces with three equivalent Fe(6)Nd2Fe10 cuboctahedra, faces with three equivalent Fe(7)Nd2Fe10 cuboctahedra, and faces with six equivalent Fe(2)Nd3Fe9 cuboctahedra. In the eighth Fe site, Fe(8) is bonded in a 14-coordinate geometry to one Nd(2), one Fe(8), two equivalent Fe(1), two equivalent Fe(10), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(9) atoms. In the ninth Fe site, Fe(9) is bonded to one Nd(1), one Nd(2), one Fe(4), one Fe(5), two equivalent Fe(1), two equivalent Fe(10), two equivalent Fe(6), and two equivalent Fe(8) atoms to form distorted FeNd2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(2)Nd3Fe9 cuboctahedra, corners with three equivalent Fe(9)Nd2Fe10 cuboctahedra, corners with three equivalent Fe(11)Nd3Fe9 cuboctahedra, corners with four equivalent Fe(1)Nd2Fe10 cuboctahedra, corners with six equivalent Fe(7)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(10)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(2)Nd3Fe9 cuboctahedra,  a faceface with one Fe(11)Nd3Fe9 cuboctahedra, faces with two equivalent Fe(1)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(7)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(2)Nd3Fe9 cuboctahedra, faces with four equivalent Fe(10)Nd2Fe10 cuboctahedra, and faces with six equivalent Fe(6)Nd2Fe10 cuboctahedra. In the tenth Fe site, Fe(10) is bonded to one Nd(1), one Nd(2), one Fe(1), one Fe(11), one Fe(2), one Fe(4), one Fe(5), one Fe(7), one Fe(8), one Fe(9), and two equivalent Fe(6) atoms to form FeNd2Fe10 cuboctahedra that share  a cornercorner with one Fe(3)Nd2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(1)Nd2Fe10 cuboctahedra, corners with two equivalent Fe(11)Nd3Fe9 cuboctahedra, corners with three equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with three equivalent Fe(7)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(2)Nd3Fe9 cuboctahedra,  an edgeedge with one Fe(1)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(10)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(6)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(2)Nd3Fe9 cuboctahedra,  a faceface with one Fe(3)Nd2Fe10 cuboctahedra,  a faceface with one Fe(11)Nd3Fe9 cuboctahedra, faces with two equivalent Fe(1)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(10)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(9)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(2)Nd3Fe9 cuboctahedra, faces with three equivalent Fe(6)Nd2Fe10 cuboctahedra, and faces with three equivalent Fe(7)Nd2Fe10 cuboctahedra. In the eleventh Fe site, Fe(11) is bonded to one Nd(2), two equivalent Nd(1), one Fe(4), two equivalent Fe(10), two equivalent Fe(2), two equivalent Fe(6), and two equivalent Fe(7) atoms to form FeNd3Fe9 cuboctahedra that share  a cornercorner with one Fe(11)Nd3Fe9 cuboctahedra, corners with two equivalent Fe(7)Nd2Fe10 cuboctahedra, corners with three equivalent Fe(3)Nd2Fe10 cuboctahedra, corners with three equivalent Fe(9)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(10)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(6)Nd2Fe10 cuboctahedra, corners with four equivalent Fe(2)Nd3Fe9 cuboctahedra,  an edgeedge with one Fe(9)Nd2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Nd3Fe9 cuboctahedra, edges with two equivalent Fe(1)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(10)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(7)Nd2Fe10 cuboctahedra, edges with two equivalent Fe(2)Nd3Fe9 cuboctahedra,  a faceface with one Fe(3)Nd2Fe10 cuboctahedra,  a faceface with one Fe(9)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(1)Nd2Fe10 cuboctahedra, faces with two equivalent Fe(10)Nd2Fe10 cuboctahedra, faces with four equivalent Fe(6)Nd2Fe10 cuboctahedra, faces with four equivalent Fe(7)Nd2Fe10 cuboctahedra, and faces with four equivalent Fe(2)Nd3Fe9 cuboctahedra. is represented by the CIF card [CIF]
data_Nd3Fe29
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.479
_cell_length_b   6.479
_cell_length_c   10.510
_cell_angle_alpha   85.399
_cell_angle_beta   85.399
_cell_angle_gamma   82.942
_symmetry_Int_Tables_number   1
_cell_volume   435.372
_cell_formula_units_Z   1
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  0.813  0.813  0.599  1.0
  Nd  Nd1  1  0.187  0.187  0.401  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.811  0.316  0.596  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.292  0.292  0.860  1.0
  Fe  Fe8  1  0.708  0.708  0.140  1.0
  Fe  Fe9  1  0.521  0.521  0.747  1.0
  Fe  Fe10  1  0.479  0.479  0.253  1.0
  Fe  Fe11  1  0.316  0.866  0.196  1.0
  Fe  Fe12  1  0.134  0.684  0.804  1.0
  Fe  Fe13  1  0.684  0.134  0.804  1.0
  Fe  Fe14  1  0.866  0.316  0.196  1.0
  Fe  Fe15  1  0.540  0.830  0.375  1.0
  Fe  Fe16  1  0.170  0.460  0.625  1.0
  Fe  Fe17  1  0.460  0.170  0.625  1.0
  Fe  Fe18  1  0.830  0.540  0.375  1.0
  Fe  Fe19  1  0.640  0.360  0.000  1.0
  Fe  Fe20  1  0.360  0.640  0.000  1.0
  Fe  Fe21  1  0.280  0.280  0.106  1.0
  Fe  Fe22  1  0.720  0.720  0.894  1.0
  Fe  Fe23  1  0.097  0.591  0.198  1.0
  Fe  Fe24  1  0.409  0.903  0.802  1.0
  Fe  Fe25  1  0.903  0.409  0.802  1.0
  Fe  Fe26  1  0.591  0.097  0.198  1.0
  Fe  Fe27  1  0.904  0.904  0.291  1.0
  Fe  Fe28  1  0.096  0.096  0.709  1.0
  Fe  Fe29  1  0.316  0.811  0.596  1.0
  Fe  Fe30  1  0.189  0.684  0.404  1.0
  Fe  Fe31  1  0.684  0.189  0.404  1.0
[/CIF]
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