The structure described by Nb3Fe is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Nb(1) is bonded to eight equivalent Nb(1) and four equivalent Fe(1) atoms to form NbNb8Fe4 cuboctahedra that share corners with twelve equivalent Nb(1)Nb8Fe4 cuboctahedra, edges with eight equivalent Fe(1)Nb12 cuboctahedra, edges with sixteen equivalent Nb(1)Nb8Fe4 cuboctahedra, faces with four equivalent Fe(1)Nb12 cuboctahedra, and faces with fourteen equivalent Nb(1)Nb8Fe4 cuboctahedra. Fe(1) is bonded to twelve equivalent Nb(1) atoms to form FeNb12 cuboctahedra that share corners with twelve equivalent Fe(1)Nb12 cuboctahedra, edges with twenty-four equivalent Nb(1)Nb8Fe4 cuboctahedra, faces with six equivalent Fe(1)Nb12 cuboctahedra, and faces with twelve equivalent Nb(1)Nb8Fe4 cuboctahedra. is represented by the CIF file [CIF]
data_Nb3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.043
_cell_length_b   4.043
_cell_length_c   4.043
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   66.101
_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
  Nb  Nb0  1  0.000  0.500  0.500  1.0
  Nb  Nb1  1  0.500  0.500  0.000  1.0
  Nb  Nb2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by Nb3Fe is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Nb(1) is bonded to eight equivalent Nb(1) and four equivalent Fe(1) atoms to form NbNb8Fe4 cuboctahedra that share corners with twelve equivalent Nb(1)Nb8Fe4 cuboctahedra, edges with eight equivalent Fe(1)Nb12 cuboctahedra, edges with sixteen equivalent Nb(1)Nb8Fe4 cuboctahedra, faces with four equivalent Fe(1)Nb12 cuboctahedra, and faces with fourteen equivalent Nb(1)Nb8Fe4 cuboctahedra. Fe(1) is bonded to twelve equivalent Nb(1) atoms to form FeNb12 cuboctahedra that share corners with twelve equivalent Fe(1)Nb12 cuboctahedra, edges with twenty-four equivalent Nb(1)Nb8Fe4 cuboctahedra, faces with six equivalent Fe(1)Nb12 cuboctahedra, and faces with twelve equivalent Nb(1)Nb8Fe4 cuboctahedra. is represented by the CIF file [CIF]
data_Nb3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.043
_cell_length_b   4.043
_cell_length_c   4.043
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   66.101
_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
  Nb  Nb0  1  0.000  0.500  0.500  1.0
  Nb  Nb1  1  0.500  0.500  0.000  1.0
  Nb  Nb2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
[/CIF]
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