The compound described by AlFe2B2 crystallizes in the orthorhombic Cmmm space group. Fe(1) is bonded in a 10-coordinate geometry to four equivalent Al(1) and six equivalent B(1) atoms. Al(1) is bonded in a 10-coordinate geometry to eight equivalent Fe(1) and two equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to six equivalent Fe(1), one Al(1), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al(FeB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.862
_cell_length_b   2.890
_cell_length_c   5.651
_cell_angle_alpha   104.816
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   45.191
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.647  0.294  1.0
  Fe  Fe2  1  0.500  0.353  0.706  1.0
  B  B3  1  0.000  0.794  0.588  1.0
  B  B4  1  0.000  0.206  0.412  1.0
[/CIF]
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The compound described by AlFe2B2 crystallizes in the orthorhombic Cmmm space group. Fe(1) is bonded in a 10-coordinate geometry to four equivalent Al(1) and six equivalent B(1) atoms. Al(1) is bonded in a 10-coordinate geometry to eight equivalent Fe(1) and two equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to six equivalent Fe(1), one Al(1), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al(FeB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.862
_cell_length_b   2.890
_cell_length_c   5.651
_cell_angle_alpha   104.816
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   45.191
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.647  0.294  1.0
  Fe  Fe2  1  0.500  0.353  0.706  1.0
  B  B3  1  0.000  0.794  0.588  1.0
  B  B4  1  0.000  0.206  0.412  1.0
[/CIF]
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