The compound described by Fe2Nb is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1) and twelve equivalent Fe(1) atoms. Fe(1) is bonded to six equivalent Nb(1) and six equivalent Fe(1) atoms to form a mixture of face, corner, and edge-sharing FeNb6Fe6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.886
_cell_length_b   4.886
_cell_length_c   4.886
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   82.481
_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
  Nb  Nb0  1  0.750  0.750  0.750  1.0
  Nb  Nb1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.875  0.375  0.375  1.0
  Fe  Fe3  1  0.375  0.875  0.375  1.0
  Fe  Fe4  1  0.375  0.375  0.875  1.0
  Fe  Fe5  1  0.375  0.375  0.375  1.0
[/CIF]
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The compound described by Fe2Nb is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1) and twelve equivalent Fe(1) atoms. Fe(1) is bonded to six equivalent Nb(1) and six equivalent Fe(1) atoms to form a mixture of face, corner, and edge-sharing FeNb6Fe6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.886
_cell_length_b   4.886
_cell_length_c   4.886
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   82.481
_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
  Nb  Nb0  1  0.750  0.750  0.750  1.0
  Nb  Nb1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.875  0.375  0.375  1.0
  Fe  Fe3  1  0.375  0.875  0.375  1.0
  Fe  Fe4  1  0.375  0.375  0.875  1.0
  Fe  Fe5  1  0.375  0.375  0.375  1.0
[/CIF]
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