The material described by FeBe5 crystallizes in the cubic F-43m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to three equivalent Be(2), six equivalent Be(1), and three equivalent Fe(1) atoms to form a mixture of corner, edge, and face-sharing BeBe9Fe3 cuboctahedra. In the second Be site, Be(2) is bonded in a 16-coordinate geometry to twelve equivalent Be(1) and four equivalent Fe(1) atoms. Fe(1) is bonded in a 16-coordinate geometry to four equivalent Be(2) and twelve equivalent Be(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Be5Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.128
_cell_length_b   4.128
_cell_length_c   4.128
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   49.759
_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  0.626  0.626  0.626  1.0
  Be  Be1  1  0.626  0.626  0.123  1.0
  Be  Be2  1  0.626  0.123  0.626  1.0
  Be  Be3  1  0.123  0.626  0.626  1.0
  Be  Be4  1  0.250  0.250  0.250  1.0
  Fe  Fe5  1  1.000  1.000  1.000  1.0
[/CIF]
.
The material described by FeBe5 crystallizes in the cubic F-43m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to three equivalent Be(2), six equivalent Be(1), and three equivalent Fe(1) atoms to form a mixture of corner, edge, and face-sharing BeBe9Fe3 cuboctahedra. In the second Be site, Be(2) is bonded in a 16-coordinate geometry to twelve equivalent Be(1) and four equivalent Fe(1) atoms. Fe(1) is bonded in a 16-coordinate geometry to four equivalent Be(2) and twelve equivalent Be(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Be5Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.128
_cell_length_b   4.128
_cell_length_c   4.128
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   49.759
_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  0.626  0.626  0.626  1.0
  Be  Be1  1  0.626  0.626  0.123  1.0
  Be  Be2  1  0.626  0.123  0.626  1.0
  Be  Be3  1  0.123  0.626  0.626  1.0
  Be  Be4  1  0.250  0.250  0.250  1.0
  Fe  Fe5  1  1.000  1.000  1.000  1.0
[/CIF]
.