The material described by NbFeSi crystallizes in the orthorhombic Pnma 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 in a 12-coordinate geometry to six equivalent Nb(1), two equivalent Fe(1), and four equivalent Si(1) atoms. 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   3.683
_cell_length_b   6.231
_cell_length_c   7.133
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.690
_cell_formula_units_Z   4
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  0.250  0.524  0.182  1.0
  Nb  Nb1  1  0.750  0.476  0.818  1.0
  Nb  Nb2  1  0.750  0.976  0.682  1.0
  Nb  Nb3  1  0.250  0.024  0.318  1.0
  Fe  Fe4  1  0.250  0.641  0.560  1.0
  Fe  Fe5  1  0.750  0.359  0.440  1.0
  Fe  Fe6  1  0.750  0.859  0.060  1.0
  Fe  Fe7  1  0.250  0.141  0.940  1.0
  Si  Si8  1  0.250  0.772  0.878  1.0
  Si  Si9  1  0.750  0.228  0.122  1.0
  Si  Si10  1  0.750  0.728  0.378  1.0
  Si  Si11  1  0.250  0.272  0.622  1.0
[/CIF]
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The material described by NbFeSi crystallizes in the orthorhombic Pnma 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 in a 12-coordinate geometry to six equivalent Nb(1), two equivalent Fe(1), and four equivalent Si(1) atoms. 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   3.683
_cell_length_b   6.231
_cell_length_c   7.133
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.690
_cell_formula_units_Z   4
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  0.250  0.524  0.182  1.0
  Nb  Nb1  1  0.750  0.476  0.818  1.0
  Nb  Nb2  1  0.750  0.976  0.682  1.0
  Nb  Nb3  1  0.250  0.024  0.318  1.0
  Fe  Fe4  1  0.250  0.641  0.560  1.0
  Fe  Fe5  1  0.750  0.359  0.440  1.0
  Fe  Fe6  1  0.750  0.859  0.060  1.0
  Fe  Fe7  1  0.250  0.141  0.940  1.0
  Si  Si8  1  0.250  0.772  0.878  1.0
  Si  Si9  1  0.750  0.228  0.122  1.0
  Si  Si10  1  0.750  0.728  0.378  1.0
  Si  Si11  1  0.250  0.272  0.622  1.0
[/CIF]
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