The material described by NbFeSi crystallizes in the orthorhombic Cmcm space group. Nb(1) is bonded in a 11-coordinate geometry to six equivalent Fe(1) and five equivalent Si(1) atoms. Fe(1) is bonded to six equivalent Nb(1), two equivalent Fe(1), and four equivalent Si(1) atoms to form a mixture of distorted face, corner, and edge-sharing FeNb6Fe2Si4 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to five equivalent Nb(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_NbFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.939
_cell_length_b   4.939
_cell_length_c   4.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   137.194
_symmetry_Int_Tables_number   1
_cell_volume   82.134
_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  0.290  0.710  0.750  1.0
  Nb  Nb1  1  0.710  0.290  0.250  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Si  Si4  1  0.417  0.583  0.250  1.0
  Si  Si5  1  0.583  0.417  0.750  1.0
[/CIF]
.
The material described by NbFeSi crystallizes in the orthorhombic Cmcm space group. Nb(1) is bonded in a 11-coordinate geometry to six equivalent Fe(1) and five equivalent Si(1) atoms. Fe(1) is bonded to six equivalent Nb(1), two equivalent Fe(1), and four equivalent Si(1) atoms to form a mixture of distorted face, corner, and edge-sharing FeNb6Fe2Si4 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to five equivalent Nb(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_NbFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.939
_cell_length_b   4.939
_cell_length_c   4.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   137.194
_symmetry_Int_Tables_number   1
_cell_volume   82.134
_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  0.290  0.710  0.750  1.0
  Nb  Nb1  1  0.710  0.290  0.250  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Si  Si4  1  0.417  0.583  0.250  1.0
  Si  Si5  1  0.583  0.417  0.750  1.0
[/CIF]
.