The material described by Ce3Ni4Si4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), two equivalent Si(2), and four equivalent Si(1) atoms. In the second Ce site, Ce(2) is bonded to four equivalent Ni(1) and eight equivalent Si(2) atoms to form a mixture of edge and face-sharing CeSi8Ni4 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Ce(2), four equivalent Ce(1), one Si(1), and two equivalent Si(2) atoms. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Ni(1), and four equivalent Ni(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), two equivalent Ni(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Ce3(SiNi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.117
_cell_length_b   12.117
_cell_length_c   12.117
_cell_angle_alpha   161.089
_cell_angle_beta   160.756
_cell_angle_gamma   27.108
_symmetry_Int_Tables_number   1
_cell_volume   189.970
_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
  Ce  Ce0  1  0.351  0.851  0.500  1.0
  Ce  Ce1  1  0.649  0.149  0.500  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Si  Si3  1  0.198  0.698  0.500  1.0
  Si  Si4  1  0.802  0.302  0.500  1.0
  Si  Si5  1  0.449  0.449  0.000  1.0
  Si  Si6  1  0.551  0.551  0.000  1.0
  Ni  Ni7  1  0.097  0.597  0.500  1.0
  Ni  Ni8  1  0.903  0.403  0.500  1.0
  Ni  Ni9  1  0.250  0.250  0.000  1.0
  Ni  Ni10  1  0.750  0.750  0.000  1.0
[/CIF]
.
The material described by Ce3Ni4Si4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), two equivalent Si(2), and four equivalent Si(1) atoms. In the second Ce site, Ce(2) is bonded to four equivalent Ni(1) and eight equivalent Si(2) atoms to form a mixture of edge and face-sharing CeSi8Ni4 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Ce(2), four equivalent Ce(1), one Si(1), and two equivalent Si(2) atoms. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Ni(1), and four equivalent Ni(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), two equivalent Ni(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Ce3(SiNi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.117
_cell_length_b   12.117
_cell_length_c   12.117
_cell_angle_alpha   161.089
_cell_angle_beta   160.756
_cell_angle_gamma   27.108
_symmetry_Int_Tables_number   1
_cell_volume   189.970
_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
  Ce  Ce0  1  0.351  0.851  0.500  1.0
  Ce  Ce1  1  0.649  0.149  0.500  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Si  Si3  1  0.198  0.698  0.500  1.0
  Si  Si4  1  0.802  0.302  0.500  1.0
  Si  Si5  1  0.449  0.449  0.000  1.0
  Si  Si6  1  0.551  0.551  0.000  1.0
  Ni  Ni7  1  0.097  0.597  0.500  1.0
  Ni  Ni8  1  0.903  0.403  0.500  1.0
  Ni  Ni9  1  0.250  0.250  0.000  1.0
  Ni  Ni10  1  0.750  0.750  0.000  1.0
[/CIF]
.