The material structure described by Be12Pd crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded to two equivalent Be(1), four equivalent Be(2), four equivalent Be(3), and two equivalent Pd(1) atoms to form a mixture of edge, face, and corner-sharing BeBe10Pd2 cuboctahedra. In the second Be site, Be(3) is bonded to two equivalent Be(3), four equivalent Be(1), four equivalent Be(2), and two equivalent Pd(1) atoms to form a mixture of distorted edge, face, and corner-sharing BeBe10Pd2 cuboctahedra. In the third Be site, Be(2) is bonded in a 10-coordinate geometry to one Be(2), four equivalent Be(1), four equivalent Be(3), and one Pd(1) atom. Pd(1) is bonded in a 20-coordinate geometry to four equivalent Be(2), eight equivalent Be(1), and eight equivalent Be(3) atoms. is represented by the CIF card [CIF]
data_Be12Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.552
_cell_length_b   5.552
_cell_length_c   5.552
_cell_angle_alpha   98.156
_cell_angle_beta   98.156
_cell_angle_gamma   135.747
_symmetry_Int_Tables_number   1
_cell_volume   110.617
_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
  Be  Be0  1  0.000  0.000  0.500  1.0
  Be  Be1  1  0.500  0.000  0.000  1.0
  Be  Be2  1  0.000  0.500  0.000  1.0
  Be  Be3  1  0.500  0.500  0.500  1.0
  Be  Be4  1  0.652  0.000  0.652  1.0
  Be  Be5  1  0.000  0.652  0.652  1.0
  Be  Be6  1  0.000  0.348  0.348  1.0
  Be  Be7  1  0.348  0.000  0.348  1.0
  Be  Be8  1  0.726  0.500  0.226  1.0
  Be  Be9  1  0.500  0.726  0.226  1.0
  Be  Be10  1  0.500  0.274  0.774  1.0
  Be  Be11  1  0.274  0.500  0.774  1.0
  Pd  Pd12  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by Be12Pd crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded to two equivalent Be(1), four equivalent Be(2), four equivalent Be(3), and two equivalent Pd(1) atoms to form a mixture of edge, face, and corner-sharing BeBe10Pd2 cuboctahedra. In the second Be site, Be(3) is bonded to two equivalent Be(3), four equivalent Be(1), four equivalent Be(2), and two equivalent Pd(1) atoms to form a mixture of distorted edge, face, and corner-sharing BeBe10Pd2 cuboctahedra. In the third Be site, Be(2) is bonded in a 10-coordinate geometry to one Be(2), four equivalent Be(1), four equivalent Be(3), and one Pd(1) atom. Pd(1) is bonded in a 20-coordinate geometry to four equivalent Be(2), eight equivalent Be(1), and eight equivalent Be(3) atoms. is represented by the CIF card [CIF]
data_Be12Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.552
_cell_length_b   5.552
_cell_length_c   5.552
_cell_angle_alpha   98.156
_cell_angle_beta   98.156
_cell_angle_gamma   135.747
_symmetry_Int_Tables_number   1
_cell_volume   110.617
_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
  Be  Be0  1  0.000  0.000  0.500  1.0
  Be  Be1  1  0.500  0.000  0.000  1.0
  Be  Be2  1  0.000  0.500  0.000  1.0
  Be  Be3  1  0.500  0.500  0.500  1.0
  Be  Be4  1  0.652  0.000  0.652  1.0
  Be  Be5  1  0.000  0.652  0.652  1.0
  Be  Be6  1  0.000  0.348  0.348  1.0
  Be  Be7  1  0.348  0.000  0.348  1.0
  Be  Be8  1  0.726  0.500  0.226  1.0
  Be  Be9  1  0.500  0.726  0.226  1.0
  Be  Be10  1  0.500  0.274  0.774  1.0
  Be  Be11  1  0.274  0.500  0.774  1.0
  Pd  Pd12  1  0.000  0.000  0.000  1.0
[/CIF]
.