The material described by Ce2Pd6B crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form CePd12 cuboctahedra that share corners with twelve equivalent Ce(1)Pd12 cuboctahedra, faces with six equivalent Ce(1)Pd12 cuboctahedra, and faces with four equivalent B(1)Pd6 octahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to four equivalent Ce(1) and one B(1) atom. In the second Pd site, Pd(2) is bonded to four equivalent Ce(1) and two equivalent B(1) atoms to form a mixture of corner, face, and edge-sharing PdCe4B2 octahedra. The corner-sharing octahedra are not tilted. In the third Pd site, Pd(3) is bonded in a distorted square co-planar geometry to four equivalent Ce(1) atoms. B(1) is bonded to two equivalent Pd(1) and four equivalent Pd(2) atoms to form BPd6 octahedra that share corners with four equivalent B(1)Pd6 octahedra and faces with eight equivalent Ce(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ce2BPd6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.366
_cell_length_b   4.366
_cell_length_c   8.236
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.010
_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  0.996  1.0
  Ce  Ce1  1  0.000  0.000  0.504  1.0
  B  B2  1  0.500  0.500  0.250  1.0
  Pd  Pd3  1  0.500  0.500  0.988  1.0
  Pd  Pd4  1  0.500  0.500  0.512  1.0
  Pd  Pd5  1  0.500  0.000  0.250  1.0
  Pd  Pd6  1  0.500  0.000  0.750  1.0
  Pd  Pd7  1  0.000  0.500  0.250  1.0
  Pd  Pd8  1  0.000  0.500  0.750  1.0
[/CIF]
.
The material described by Ce2Pd6B crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form CePd12 cuboctahedra that share corners with twelve equivalent Ce(1)Pd12 cuboctahedra, faces with six equivalent Ce(1)Pd12 cuboctahedra, and faces with four equivalent B(1)Pd6 octahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to four equivalent Ce(1) and one B(1) atom. In the second Pd site, Pd(2) is bonded to four equivalent Ce(1) and two equivalent B(1) atoms to form a mixture of corner, face, and edge-sharing PdCe4B2 octahedra. The corner-sharing octahedra are not tilted. In the third Pd site, Pd(3) is bonded in a distorted square co-planar geometry to four equivalent Ce(1) atoms. B(1) is bonded to two equivalent Pd(1) and four equivalent Pd(2) atoms to form BPd6 octahedra that share corners with four equivalent B(1)Pd6 octahedra and faces with eight equivalent Ce(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ce2BPd6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.366
_cell_length_b   4.366
_cell_length_c   8.236
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.010
_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  0.996  1.0
  Ce  Ce1  1  0.000  0.000  0.504  1.0
  B  B2  1  0.500  0.500  0.250  1.0
  Pd  Pd3  1  0.500  0.500  0.988  1.0
  Pd  Pd4  1  0.500  0.500  0.512  1.0
  Pd  Pd5  1  0.500  0.000  0.250  1.0
  Pd  Pd6  1  0.500  0.000  0.750  1.0
  Pd  Pd7  1  0.000  0.500  0.250  1.0
  Pd  Pd8  1  0.000  0.500  0.750  1.0
[/CIF]
.