The structure described by NdFeSi2 crystallizes in the orthorhombic Cmcm space group. Nd(1) is bonded in a 14-coordinate geometry to four equivalent Fe(1), four equivalent Si(1), and six equivalent Si(2) atoms. Fe(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1), four equivalent Fe(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Nd(1), one Si(1), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_NdFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.006
_cell_length_b   4.093
_cell_length_c   8.665
_cell_angle_alpha   103.660
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.032
_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
  Nd  Nd0  1  0.250  0.892  0.784  1.0
  Nd  Nd1  1  0.750  0.108  0.216  1.0
  Fe  Fe2  1  0.750  0.749  0.499  1.0
  Fe  Fe3  1  0.250  0.251  0.501  1.0
  Si  Si4  1  0.250  0.690  0.380  1.0
  Si  Si5  1  0.750  0.310  0.620  1.0
  Si  Si6  1  0.750  0.462  0.924  1.0
  Si  Si7  1  0.250  0.538  0.076  1.0
[/CIF]
.
The structure described by NdFeSi2 crystallizes in the orthorhombic Cmcm space group. Nd(1) is bonded in a 14-coordinate geometry to four equivalent Fe(1), four equivalent Si(1), and six equivalent Si(2) atoms. Fe(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1), four equivalent Fe(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Nd(1), one Si(1), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_NdFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.006
_cell_length_b   4.093
_cell_length_c   8.665
_cell_angle_alpha   103.660
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.032
_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
  Nd  Nd0  1  0.250  0.892  0.784  1.0
  Nd  Nd1  1  0.750  0.108  0.216  1.0
  Fe  Fe2  1  0.750  0.749  0.499  1.0
  Fe  Fe3  1  0.250  0.251  0.501  1.0
  Si  Si4  1  0.250  0.690  0.380  1.0
  Si  Si5  1  0.750  0.310  0.620  1.0
  Si  Si6  1  0.750  0.462  0.924  1.0
  Si  Si7  1  0.250  0.538  0.076  1.0
[/CIF]
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