The compound described by NdFe5 crystallizes in the hexagonal P6/mmm space group. Nd(1) is bonded in a 18-coordinate geometry to six equivalent Fe(1) and twelve equivalent Fe(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded to four equivalent Nd(1), four equivalent Fe(1), and four equivalent Fe(2) atoms to form a mixture of corner, edge, and face-sharing FeNd4Fe8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdFe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   5.242
_cell_length_c   3.918
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   93.242
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.333  0.667  0.000  1.0
  Fe  Fe2  1  0.667  0.333  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.000  0.500  0.500  1.0
[/CIF]
.
The compound described by NdFe5 crystallizes in the hexagonal P6/mmm space group. Nd(1) is bonded in a 18-coordinate geometry to six equivalent Fe(1) and twelve equivalent Fe(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded to four equivalent Nd(1), four equivalent Fe(1), and four equivalent Fe(2) atoms to form a mixture of corner, edge, and face-sharing FeNd4Fe8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdFe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   5.242
_cell_length_c   3.918
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   93.242
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.333  0.667  0.000  1.0
  Fe  Fe2  1  0.667  0.333  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.000  0.500  0.500  1.0
[/CIF]
.