The material described by Be5(FeAl2)2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded to two equivalent Be(1), two equivalent Be(3), two equivalent Fe(1), two equivalent Al(2), and four equivalent Al(1) atoms to form a mixture of distorted edge, corner, and face-sharing BeBe4Al6Fe2 cuboctahedra. In the second Be site, Be(2) is bonded in a 2-coordinate geometry to two equivalent Fe(1) and four equivalent Al(2) atoms. In the third Be site, Be(3) is bonded to four equivalent Be(1), two equivalent Fe(1), two equivalent Al(2), and four equivalent Al(1) atoms to form a mixture of distorted edge, corner, and face-sharing BeBe4Al6Fe2 cuboctahedra. Fe(1) is bonded in a distorted q6 geometry to one Be(3), two equivalent Be(1), two equivalent Be(2), three equivalent Al(1), and three equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to two equivalent Be(3), four equivalent Be(1), three equivalent Fe(1), and three equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 14-coordinate geometry to one Be(3), two equivalent Be(1), four equivalent Be(2), three equivalent Fe(1), one Al(2), and three equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Be5(Al2Fe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.363
_cell_length_b   4.363
_cell_length_c   7.811
_cell_angle_alpha   77.438
_cell_angle_beta   77.438
_cell_angle_gamma   60.280
_symmetry_Int_Tables_number   1
_cell_volume   124.998
_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  0.500  0.000  0.000  1.0
  Be  Be1  1  0.000  0.500  0.500  1.0
  Be  Be2  1  0.000  0.000  0.000  1.0
  Be  Be3  1  0.000  0.500  0.000  1.0
  Be  Be4  1  0.500  0.000  0.500  1.0
  Al  Al5  1  0.448  0.448  0.197  1.0
  Al  Al6  1  0.917  0.917  0.695  1.0
  Al  Al7  1  0.552  0.552  0.803  1.0
  Al  Al8  1  0.083  0.083  0.305  1.0
  Fe  Fe9  1  0.229  0.229  0.753  1.0
  Fe  Fe10  1  0.771  0.771  0.247  1.0
[/CIF]
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The material described by Be5(FeAl2)2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded to two equivalent Be(1), two equivalent Be(3), two equivalent Fe(1), two equivalent Al(2), and four equivalent Al(1) atoms to form a mixture of distorted edge, corner, and face-sharing BeBe4Al6Fe2 cuboctahedra. In the second Be site, Be(2) is bonded in a 2-coordinate geometry to two equivalent Fe(1) and four equivalent Al(2) atoms. In the third Be site, Be(3) is bonded to four equivalent Be(1), two equivalent Fe(1), two equivalent Al(2), and four equivalent Al(1) atoms to form a mixture of distorted edge, corner, and face-sharing BeBe4Al6Fe2 cuboctahedra. Fe(1) is bonded in a distorted q6 geometry to one Be(3), two equivalent Be(1), two equivalent Be(2), three equivalent Al(1), and three equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to two equivalent Be(3), four equivalent Be(1), three equivalent Fe(1), and three equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 14-coordinate geometry to one Be(3), two equivalent Be(1), four equivalent Be(2), three equivalent Fe(1), one Al(2), and three equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Be5(Al2Fe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.363
_cell_length_b   4.363
_cell_length_c   7.811
_cell_angle_alpha   77.438
_cell_angle_beta   77.438
_cell_angle_gamma   60.280
_symmetry_Int_Tables_number   1
_cell_volume   124.998
_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  0.500  0.000  0.000  1.0
  Be  Be1  1  0.000  0.500  0.500  1.0
  Be  Be2  1  0.000  0.000  0.000  1.0
  Be  Be3  1  0.000  0.500  0.000  1.0
  Be  Be4  1  0.500  0.000  0.500  1.0
  Al  Al5  1  0.448  0.448  0.197  1.0
  Al  Al6  1  0.917  0.917  0.695  1.0
  Al  Al7  1  0.552  0.552  0.803  1.0
  Al  Al8  1  0.083  0.083  0.305  1.0
  Fe  Fe9  1  0.229  0.229  0.753  1.0
  Fe  Fe10  1  0.771  0.771  0.247  1.0
[/CIF]
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