The material described by NdFe2Si2 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 16-coordinate geometry to eight equivalent Fe(1) and eight equivalent Si(1) atoms. Fe(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Nd(FeSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.010
_cell_length_b   4.010
_cell_length_c   5.613
_cell_angle_alpha   110.929
_cell_angle_beta   110.929
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   77.892
_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
  Nd  Nd0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.250  0.750  0.500  1.0
  Fe  Fe2  1  0.750  0.250  0.500  1.0
  Si  Si3  1  0.643  0.643  0.287  1.0
  Si  Si4  1  0.357  0.357  0.713  1.0
[/CIF]
.
The material described by NdFe2Si2 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 16-coordinate geometry to eight equivalent Fe(1) and eight equivalent Si(1) atoms. Fe(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Nd(FeSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.010
_cell_length_b   4.010
_cell_length_c   5.613
_cell_angle_alpha   110.929
_cell_angle_beta   110.929
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   77.892
_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
  Nd  Nd0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.250  0.750  0.500  1.0
  Fe  Fe2  1  0.750  0.250  0.500  1.0
  Si  Si3  1  0.643  0.643  0.287  1.0
  Si  Si4  1  0.357  0.357  0.713  1.0
[/CIF]
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