The structure described by NdFeSi crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded in a 11-coordinate geometry to five equivalent Fe(1) and six equivalent Si(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to five equivalent Nd(1) and four equivalent Si(1) atoms. Si(1) is bonded to six equivalent Nd(1), four equivalent Fe(1), and two equivalent Si(1) atoms to form a mixture of distorted edge, corner, and face-sharing SiNd6Fe4Si2 cuboctahedra. is represented by the CIF card [CIF]
data_NdFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.858
_cell_length_b   5.278
_cell_length_c   5.549
_cell_angle_alpha   90.000
_cell_angle_beta   110.342
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   105.948
_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
  Fe  Fe0  1  0.946  0.250  0.393  1.0
  Fe  Fe1  1  0.054  0.750  0.608  1.0
  Nd  Nd2  1  0.779  0.750  0.058  1.0
  Nd  Nd3  1  0.221  0.250  0.942  1.0
  Si  Si4  1  0.500  0.500  0.500  1.0
  Si  Si5  1  0.500  0.000  0.500  1.0
[/CIF]
.
The structure described by NdFeSi crystallizes in the orthorhombic Pnma space group. Nd(1) is bonded in a 11-coordinate geometry to five equivalent Fe(1) and six equivalent Si(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to five equivalent Nd(1) and four equivalent Si(1) atoms. Si(1) is bonded to six equivalent Nd(1), four equivalent Fe(1), and two equivalent Si(1) atoms to form a mixture of distorted edge, corner, and face-sharing SiNd6Fe4Si2 cuboctahedra. is represented by the CIF card [CIF]
data_NdFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.858
_cell_length_b   5.278
_cell_length_c   5.549
_cell_angle_alpha   90.000
_cell_angle_beta   110.342
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   105.948
_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
  Fe  Fe0  1  0.946  0.250  0.393  1.0
  Fe  Fe1  1  0.054  0.750  0.608  1.0
  Nd  Nd2  1  0.779  0.750  0.058  1.0
  Nd  Nd3  1  0.221  0.250  0.942  1.0
  Si  Si4  1  0.500  0.500  0.500  1.0
  Si  Si5  1  0.500  0.000  0.500  1.0
[/CIF]
.