The structure described by Nd2Fe crystallizes in the trigonal R-3m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a distorted hexagonal planar geometry to six equivalent Fe(1) atoms. In the second Nd site, Nd(2) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the third Nd site, Nd(3) is bonded in a distorted single-bond geometry to four equivalent Fe(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to one Nd(2), three equivalent Nd(1), and four equivalent Nd(3) atoms. is represented by the CIF file [CIF]
data_Nd2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.351
_cell_length_b   7.351
_cell_length_c   7.351
_cell_angle_alpha   41.778
_cell_angle_beta   41.778
_cell_angle_gamma   41.778
_symmetry_Int_Tables_number   1
_cell_volume   159.407
_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  0.500  0.500  0.500  1.0
  Nd  Nd2  1  0.244  0.244  0.244  1.0
  Nd  Nd3  1  0.756  0.756  0.756  1.0
  Fe  Fe4  1  0.368  0.368  0.368  1.0
  Fe  Fe5  1  0.632  0.632  0.632  1.0
[/CIF]
.
The structure described by Nd2Fe crystallizes in the trigonal R-3m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a distorted hexagonal planar geometry to six equivalent Fe(1) atoms. In the second Nd site, Nd(2) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the third Nd site, Nd(3) is bonded in a distorted single-bond geometry to four equivalent Fe(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to one Nd(2), three equivalent Nd(1), and four equivalent Nd(3) atoms. is represented by the CIF file [CIF]
data_Nd2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.351
_cell_length_b   7.351
_cell_length_c   7.351
_cell_angle_alpha   41.778
_cell_angle_beta   41.778
_cell_angle_gamma   41.778
_symmetry_Int_Tables_number   1
_cell_volume   159.407
_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  0.500  0.500  0.500  1.0
  Nd  Nd2  1  0.244  0.244  0.244  1.0
  Nd  Nd3  1  0.756  0.756  0.756  1.0
  Fe  Fe4  1  0.368  0.368  0.368  1.0
  Fe  Fe5  1  0.632  0.632  0.632  1.0
[/CIF]
.