The crystal structure described by Er2Pd6B crystallizes in the tetragonal P4/mmm space group. Er(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form ErPd12 cuboctahedra that share corners with twelve equivalent Er(1)Pd12 cuboctahedra, faces with six equivalent Er(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 distorted single-bond geometry to four equivalent Er(1) and one B(1) atom. In the second Pd site, Pd(2) is bonded to four equivalent Er(1) and two equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing PdEr4B2 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 Er(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 Er(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Er2BPd6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.252
_cell_length_b   4.252
_cell_length_c   7.981
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.296
_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
  Er  Er0  1  0.000  0.000  0.990  1.0
  Er  Er1  1  0.000  0.000  0.510  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]
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The crystal structure described by Er2Pd6B crystallizes in the tetragonal P4/mmm space group. Er(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form ErPd12 cuboctahedra that share corners with twelve equivalent Er(1)Pd12 cuboctahedra, faces with six equivalent Er(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 distorted single-bond geometry to four equivalent Er(1) and one B(1) atom. In the second Pd site, Pd(2) is bonded to four equivalent Er(1) and two equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing PdEr4B2 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 Er(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 Er(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Er2BPd6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.252
_cell_length_b   4.252
_cell_length_c   7.981
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.296
_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
  Er  Er0  1  0.000  0.000  0.990  1.0
  Er  Er1  1  0.000  0.000  0.510  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]
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