The material described by Ce3Pd4Si4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Pd(1) and eight equivalent Si(2) atoms to form a mixture of face and edge-sharing CeSi8Pd4 cuboctahedra. In the second Ce site, Ce(2) is bonded in a 14-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), two equivalent Si(2), and four equivalent Si(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), one Si(1), and two equivalent Si(2) atoms. In the second Pd site, Pd(2) is bonded to four equivalent Ce(2) and four equivalent Si(1) atoms to form a mixture of distorted face and edge-sharing PdCe4Si4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(2), one Pd(1), and four equivalent Pd(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Ce(2), four equivalent Ce(1), two equivalent Pd(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3(SiPd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.697
_cell_length_b   12.697
_cell_length_c   12.697
_cell_angle_alpha   161.423
_cell_angle_beta   160.854
_cell_angle_gamma   26.800
_symmetry_Int_Tables_number   1
_cell_volume   213.781
_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  0.000  0.000  0.000  1.0
  Ce  Ce1  1  0.646  0.146  0.500  1.0
  Ce  Ce2  1  0.354  0.854  0.500  1.0
  Si  Si3  1  0.804  0.304  0.500  1.0
  Si  Si4  1  0.196  0.696  0.500  1.0
  Si  Si5  1  0.548  0.548  0.000  1.0
  Si  Si6  1  0.452  0.452  0.000  1.0
  Pd  Pd7  1  0.903  0.403  0.500  1.0
  Pd  Pd8  1  0.097  0.597  0.500  1.0
  Pd  Pd9  1  0.751  0.751  0.000  1.0
  Pd  Pd10  1  0.249  0.249  0.000  1.0
[/CIF]
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The material described by Ce3Pd4Si4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Pd(1) and eight equivalent Si(2) atoms to form a mixture of face and edge-sharing CeSi8Pd4 cuboctahedra. In the second Ce site, Ce(2) is bonded in a 14-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), two equivalent Si(2), and four equivalent Si(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), four equivalent Ce(2), one Si(1), and two equivalent Si(2) atoms. In the second Pd site, Pd(2) is bonded to four equivalent Ce(2) and four equivalent Si(1) atoms to form a mixture of distorted face and edge-sharing PdCe4Si4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(2), one Pd(1), and four equivalent Pd(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Ce(2), four equivalent Ce(1), two equivalent Pd(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3(SiPd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.697
_cell_length_b   12.697
_cell_length_c   12.697
_cell_angle_alpha   161.423
_cell_angle_beta   160.854
_cell_angle_gamma   26.800
_symmetry_Int_Tables_number   1
_cell_volume   213.781
_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  0.000  0.000  0.000  1.0
  Ce  Ce1  1  0.646  0.146  0.500  1.0
  Ce  Ce2  1  0.354  0.854  0.500  1.0
  Si  Si3  1  0.804  0.304  0.500  1.0
  Si  Si4  1  0.196  0.696  0.500  1.0
  Si  Si5  1  0.548  0.548  0.000  1.0
  Si  Si6  1  0.452  0.452  0.000  1.0
  Pd  Pd7  1  0.903  0.403  0.500  1.0
  Pd  Pd8  1  0.097  0.597  0.500  1.0
  Pd  Pd9  1  0.751  0.751  0.000  1.0
  Pd  Pd10  1  0.249  0.249  0.000  1.0
[/CIF]
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