The material described by Eu2Pd6B crystallizes in the tetragonal P4/mmm space group. Eu(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form EuPd12 cuboctahedra that share corners with twelve equivalent Eu(1)Pd12 cuboctahedra, faces with six equivalent Eu(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 to four equivalent Eu(1) and two equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing PdEu4B2 octahedra. The corner-sharing octahedra are not tilted. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to four equivalent Eu(1) atoms. In the third Pd site, Pd(3) is bonded in a 1-coordinate geometry to four equivalent Eu(1) and one B(1) atom. B(1) is bonded to two equivalent Pd(3) and four equivalent Pd(1) atoms to form BPd6 octahedra that share corners with four equivalent B(1)Pd6 octahedra and faces with eight equivalent Eu(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Eu2BPd6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.305
_cell_length_b   4.305
_cell_length_c   8.232
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.537
_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
  Eu  Eu0  1  0.000  0.000  0.990  1.0
  Eu  Eu1  1  0.000  0.000  0.510  1.0
  B  B2  1  0.500  0.500  0.250  1.0
  Pd  Pd3  1  0.000  0.500  0.250  1.0
  Pd  Pd4  1  0.000  0.500  0.750  1.0
  Pd  Pd5  1  0.500  0.500  0.992  1.0
  Pd  Pd6  1  0.500  0.500  0.508  1.0
  Pd  Pd7  1  0.500  0.000  0.250  1.0
  Pd  Pd8  1  0.500  0.000  0.750  1.0
[/CIF]
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The material described by Eu2Pd6B crystallizes in the tetragonal P4/mmm space group. Eu(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form EuPd12 cuboctahedra that share corners with twelve equivalent Eu(1)Pd12 cuboctahedra, faces with six equivalent Eu(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 to four equivalent Eu(1) and two equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing PdEu4B2 octahedra. The corner-sharing octahedra are not tilted. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to four equivalent Eu(1) atoms. In the third Pd site, Pd(3) is bonded in a 1-coordinate geometry to four equivalent Eu(1) and one B(1) atom. B(1) is bonded to two equivalent Pd(3) and four equivalent Pd(1) atoms to form BPd6 octahedra that share corners with four equivalent B(1)Pd6 octahedra and faces with eight equivalent Eu(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Eu2BPd6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.305
_cell_length_b   4.305
_cell_length_c   8.232
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.537
_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
  Eu  Eu0  1  0.000  0.000  0.990  1.0
  Eu  Eu1  1  0.000  0.000  0.510  1.0
  B  B2  1  0.500  0.500  0.250  1.0
  Pd  Pd3  1  0.000  0.500  0.250  1.0
  Pd  Pd4  1  0.000  0.500  0.750  1.0
  Pd  Pd5  1  0.500  0.500  0.992  1.0
  Pd  Pd6  1  0.500  0.500  0.508  1.0
  Pd  Pd7  1  0.500  0.000  0.250  1.0
  Pd  Pd8  1  0.500  0.000  0.750  1.0
[/CIF]
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