The material structure described by Ce5Si4 crystallizes in the tetragonal P4_12_12 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Si(1) and four equivalent Si(2) atoms to form corner-sharing CeSi6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to three equivalent Si(2) and four equivalent Si(1) atoms. In the third Ce site, Ce(3) is bonded in a 6-coordinate geometry to three equivalent Si(1) and three 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 one Ce(1), three equivalent Ce(3), four equivalent Ce(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), three equivalent Ce(2), three equivalent Ce(3), and one Si(1) atom. is represented by the CIF card [CIF]
data_Ce5Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.817
_cell_length_b   7.817
_cell_length_c   14.627
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   893.860
_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
  Ce  Ce0  1  0.179  0.821  0.750  1.0
  Ce  Ce1  1  0.821  0.179  0.250  1.0
  Ce  Ce2  1  0.321  0.321  0.500  1.0
  Ce  Ce3  1  0.679  0.679  0.000  1.0
  Ce  Ce4  1  0.140  0.504  0.293  1.0
  Ce  Ce5  1  0.860  0.496  0.793  1.0
  Ce  Ce6  1  0.004  0.360  0.043  1.0
  Ce  Ce7  1  0.996  0.640  0.543  1.0
  Ce  Ce8  1  0.496  0.860  0.207  1.0
  Ce  Ce9  1  0.504  0.140  0.707  1.0
  Ce  Ce10  1  0.360  0.004  0.957  1.0
  Ce  Ce11  1  0.640  0.996  0.457  1.0
  Ce  Ce12  1  0.133  0.996  0.375  1.0
  Ce  Ce13  1  0.867  0.004  0.875  1.0
  Ce  Ce14  1  0.496  0.367  0.125  1.0
  Ce  Ce15  1  0.504  0.633  0.625  1.0
  Ce  Ce16  1  0.004  0.867  0.125  1.0
  Ce  Ce17  1  0.996  0.133  0.625  1.0
  Ce  Ce18  1  0.367  0.496  0.875  1.0
  Ce  Ce19  1  0.633  0.504  0.375  1.0
  Si  Si20  1  0.344  0.708  0.440  1.0
  Si  Si21  1  0.656  0.292  0.940  1.0
  Si  Si22  1  0.208  0.156  0.190  1.0
  Si  Si23  1  0.792  0.844  0.690  1.0
  Si  Si24  1  0.292  0.656  0.060  1.0
  Si  Si25  1  0.708  0.344  0.560  1.0
  Si  Si26  1  0.156  0.208  0.810  1.0
  Si  Si27  1  0.844  0.792  0.310  1.0
  Si  Si28  1  0.298  0.935  0.559  1.0
  Si  Si29  1  0.702  0.065  0.059  1.0
  Si  Si30  1  0.435  0.202  0.309  1.0
  Si  Si31  1  0.565  0.798  0.809  1.0
  Si  Si32  1  0.065  0.702  0.941  1.0
  Si  Si33  1  0.935  0.298  0.441  1.0
  Si  Si34  1  0.202  0.435  0.691  1.0
  Si  Si35  1  0.798  0.565  0.191  1.0
[/CIF]
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The material structure described by Ce5Si4 crystallizes in the tetragonal P4_12_12 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Si(1) and four equivalent Si(2) atoms to form corner-sharing CeSi6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to three equivalent Si(2) and four equivalent Si(1) atoms. In the third Ce site, Ce(3) is bonded in a 6-coordinate geometry to three equivalent Si(1) and three 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 one Ce(1), three equivalent Ce(3), four equivalent Ce(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), three equivalent Ce(2), three equivalent Ce(3), and one Si(1) atom. is represented by the CIF card [CIF]
data_Ce5Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.817
_cell_length_b   7.817
_cell_length_c   14.627
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   893.860
_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
  Ce  Ce0  1  0.179  0.821  0.750  1.0
  Ce  Ce1  1  0.821  0.179  0.250  1.0
  Ce  Ce2  1  0.321  0.321  0.500  1.0
  Ce  Ce3  1  0.679  0.679  0.000  1.0
  Ce  Ce4  1  0.140  0.504  0.293  1.0
  Ce  Ce5  1  0.860  0.496  0.793  1.0
  Ce  Ce6  1  0.004  0.360  0.043  1.0
  Ce  Ce7  1  0.996  0.640  0.543  1.0
  Ce  Ce8  1  0.496  0.860  0.207  1.0
  Ce  Ce9  1  0.504  0.140  0.707  1.0
  Ce  Ce10  1  0.360  0.004  0.957  1.0
  Ce  Ce11  1  0.640  0.996  0.457  1.0
  Ce  Ce12  1  0.133  0.996  0.375  1.0
  Ce  Ce13  1  0.867  0.004  0.875  1.0
  Ce  Ce14  1  0.496  0.367  0.125  1.0
  Ce  Ce15  1  0.504  0.633  0.625  1.0
  Ce  Ce16  1  0.004  0.867  0.125  1.0
  Ce  Ce17  1  0.996  0.133  0.625  1.0
  Ce  Ce18  1  0.367  0.496  0.875  1.0
  Ce  Ce19  1  0.633  0.504  0.375  1.0
  Si  Si20  1  0.344  0.708  0.440  1.0
  Si  Si21  1  0.656  0.292  0.940  1.0
  Si  Si22  1  0.208  0.156  0.190  1.0
  Si  Si23  1  0.792  0.844  0.690  1.0
  Si  Si24  1  0.292  0.656  0.060  1.0
  Si  Si25  1  0.708  0.344  0.560  1.0
  Si  Si26  1  0.156  0.208  0.810  1.0
  Si  Si27  1  0.844  0.792  0.310  1.0
  Si  Si28  1  0.298  0.935  0.559  1.0
  Si  Si29  1  0.702  0.065  0.059  1.0
  Si  Si30  1  0.435  0.202  0.309  1.0
  Si  Si31  1  0.565  0.798  0.809  1.0
  Si  Si32  1  0.065  0.702  0.941  1.0
  Si  Si33  1  0.935  0.298  0.441  1.0
  Si  Si34  1  0.202  0.435  0.691  1.0
  Si  Si35  1  0.798  0.565  0.191  1.0
[/CIF]
.