The material described by CeFeSi2 crystallizes in the orthorhombic Cmcm space group. Ce(1) is bonded in a 14-coordinate geometry to four equivalent Fe(1), four equivalent Si(2), and six equivalent Si(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Fe(1), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.605
_cell_length_b   8.605
_cell_length_c   3.999
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   152.934
_symmetry_Int_Tables_number   1
_cell_volume   134.757
_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
  Ce  Ce0  1  0.611  0.389  0.250  1.0
  Ce  Ce1  1  0.389  0.611  0.750  1.0
  Fe  Fe2  1  0.825  0.175  0.250  1.0
  Fe  Fe3  1  0.175  0.825  0.750  1.0
  Si  Si4  1  0.960  0.040  0.250  1.0
  Si  Si5  1  0.040  0.960  0.750  1.0
  Si  Si6  1  0.250  0.750  0.250  1.0
  Si  Si7  1  0.750  0.250  0.750  1.0
[/CIF]
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The material described by CeFeSi2 crystallizes in the orthorhombic Cmcm space group. Ce(1) is bonded in a 14-coordinate geometry to four equivalent Fe(1), four equivalent Si(2), and six equivalent Si(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Fe(1), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.605
_cell_length_b   8.605
_cell_length_c   3.999
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   152.934
_symmetry_Int_Tables_number   1
_cell_volume   134.757
_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
  Ce  Ce0  1  0.611  0.389  0.250  1.0
  Ce  Ce1  1  0.389  0.611  0.750  1.0
  Fe  Fe2  1  0.825  0.175  0.250  1.0
  Fe  Fe3  1  0.175  0.825  0.750  1.0
  Si  Si4  1  0.960  0.040  0.250  1.0
  Si  Si5  1  0.040  0.960  0.750  1.0
  Si  Si6  1  0.250  0.750  0.250  1.0
  Si  Si7  1  0.750  0.250  0.750  1.0
[/CIF]
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