The material structure described by Re3Al2B crystallizes in the cubic Fd-3m space group. Re(1) is bonded in a 14-coordinate geometry to eight equivalent Re(1), four equivalent Al(1), and two equivalent B(1) atoms. Al(1) is bonded in a 12-coordinate geometry to six equivalent Re(1), three equivalent Al(1), and three equivalent B(1) atoms. B(1) is bonded to six equivalent Re(1) and six equivalent Al(1) atoms to form distorted face-sharing BAl6Re6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al2Re3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.606
_cell_length_b   7.606
_cell_length_c   7.606
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   311.160
_cell_formula_units_Z   4
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
  Al  Al0  1  0.914  0.914  0.258  1.0
  Al  Al1  1  0.336  0.336  0.336  1.0
  Al  Al2  1  0.258  0.914  0.914  1.0
  Al  Al3  1  0.336  0.992  0.336  1.0
  Al  Al4  1  0.992  0.336  0.336  1.0
  Al  Al5  1  0.336  0.336  0.992  1.0
  Al  Al6  1  0.914  0.914  0.914  1.0
  Al  Al7  1  0.914  0.258  0.914  1.0
  Re  Re8  1  0.692  0.692  0.308  1.0
  Re  Re9  1  0.308  0.692  0.308  1.0
  Re  Re10  1  0.558  0.942  0.558  1.0
  Re  Re11  1  0.558  0.942  0.942  1.0
  Re  Re12  1  0.942  0.558  0.558  1.0
  Re  Re13  1  0.942  0.558  0.942  1.0
  Re  Re14  1  0.308  0.308  0.692  1.0
  Re  Re15  1  0.558  0.558  0.942  1.0
  Re  Re16  1  0.308  0.692  0.692  1.0
  Re  Re17  1  0.692  0.308  0.308  1.0
  Re  Re18  1  0.942  0.942  0.558  1.0
  Re  Re19  1  0.692  0.308  0.692  1.0
  B  B20  1  0.125  0.125  0.125  1.0
  B  B21  1  0.125  0.125  0.625  1.0
  B  B22  1  0.625  0.125  0.125  1.0
  B  B23  1  0.125  0.625  0.125  1.0
[/CIF]
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The material structure described by Re3Al2B crystallizes in the cubic Fd-3m space group. Re(1) is bonded in a 14-coordinate geometry to eight equivalent Re(1), four equivalent Al(1), and two equivalent B(1) atoms. Al(1) is bonded in a 12-coordinate geometry to six equivalent Re(1), three equivalent Al(1), and three equivalent B(1) atoms. B(1) is bonded to six equivalent Re(1) and six equivalent Al(1) atoms to form distorted face-sharing BAl6Re6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al2Re3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.606
_cell_length_b   7.606
_cell_length_c   7.606
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   311.160
_cell_formula_units_Z   4
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
  Al  Al0  1  0.914  0.914  0.258  1.0
  Al  Al1  1  0.336  0.336  0.336  1.0
  Al  Al2  1  0.258  0.914  0.914  1.0
  Al  Al3  1  0.336  0.992  0.336  1.0
  Al  Al4  1  0.992  0.336  0.336  1.0
  Al  Al5  1  0.336  0.336  0.992  1.0
  Al  Al6  1  0.914  0.914  0.914  1.0
  Al  Al7  1  0.914  0.258  0.914  1.0
  Re  Re8  1  0.692  0.692  0.308  1.0
  Re  Re9  1  0.308  0.692  0.308  1.0
  Re  Re10  1  0.558  0.942  0.558  1.0
  Re  Re11  1  0.558  0.942  0.942  1.0
  Re  Re12  1  0.942  0.558  0.558  1.0
  Re  Re13  1  0.942  0.558  0.942  1.0
  Re  Re14  1  0.308  0.308  0.692  1.0
  Re  Re15  1  0.558  0.558  0.942  1.0
  Re  Re16  1  0.308  0.692  0.692  1.0
  Re  Re17  1  0.692  0.308  0.308  1.0
  Re  Re18  1  0.942  0.942  0.558  1.0
  Re  Re19  1  0.692  0.308  0.692  1.0
  B  B20  1  0.125  0.125  0.125  1.0
  B  B21  1  0.125  0.125  0.625  1.0
  B  B22  1  0.625  0.125  0.125  1.0
  B  B23  1  0.125  0.625  0.125  1.0
[/CIF]
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