The compound described by Hf2Al3 crystallizes in the orthorhombic Fdd2 space group. Hf(1) is bonded in a 9-coordinate geometry to three equivalent Al(1) and six equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to six equivalent Hf(1) and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to six equivalent Hf(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Hf2Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.476
_cell_length_b   5.476
_cell_length_c   7.397
_cell_angle_alpha   100.743
_cell_angle_beta   100.743
_cell_angle_gamma   119.763
_symmetry_Int_Tables_number   1
_cell_volume   178.776
_cell_formula_units_Z   2
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
  Hf  Hf0  1  0.137  0.769  0.894  1.0
  Hf  Hf1  1  0.875  0.243  0.106  1.0
  Hf  Hf2  1  0.019  0.887  0.394  1.0
  Hf  Hf3  1  0.493  0.625  0.606  1.0
  Al  Al4  1  0.622  0.622  0.000  1.0
  Al  Al5  1  0.872  0.372  0.500  1.0
  Al  Al6  1  0.545  0.181  0.729  1.0
  Al  Al7  1  0.451  0.815  0.271  1.0
  Al  Al8  1  0.431  0.295  0.229  1.0
  Al  Al9  1  0.065  0.201  0.771  1.0
[/CIF]
.
The compound described by Hf2Al3 crystallizes in the orthorhombic Fdd2 space group. Hf(1) is bonded in a 9-coordinate geometry to three equivalent Al(1) and six equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to six equivalent Hf(1) and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to six equivalent Hf(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Hf2Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.476
_cell_length_b   5.476
_cell_length_c   7.397
_cell_angle_alpha   100.743
_cell_angle_beta   100.743
_cell_angle_gamma   119.763
_symmetry_Int_Tables_number   1
_cell_volume   178.776
_cell_formula_units_Z   2
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
  Hf  Hf0  1  0.137  0.769  0.894  1.0
  Hf  Hf1  1  0.875  0.243  0.106  1.0
  Hf  Hf2  1  0.019  0.887  0.394  1.0
  Hf  Hf3  1  0.493  0.625  0.606  1.0
  Al  Al4  1  0.622  0.622  0.000  1.0
  Al  Al5  1  0.872  0.372  0.500  1.0
  Al  Al6  1  0.545  0.181  0.729  1.0
  Al  Al7  1  0.451  0.815  0.271  1.0
  Al  Al8  1  0.431  0.295  0.229  1.0
  Al  Al9  1  0.065  0.201  0.771  1.0
[/CIF]
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