The material described by Hf2Al is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. Hf(1) is bonded in a 5-coordinate geometry to one Hf(1) and four equivalent Al(1) atoms. Al(1) is bonded in a 10-coordinate geometry to eight equivalent Hf(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Hf2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.477
_cell_length_c   5.477
_cell_angle_alpha   76.912
_cell_angle_beta   61.585
_cell_angle_gamma   61.585
_symmetry_Int_Tables_number   1
_cell_volume   120.943
_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  0.651  0.198  0.500  1.0
  Hf  Hf1  1  0.849  0.500  0.802  1.0
  Hf  Hf2  1  0.349  0.802  0.500  1.0
  Hf  Hf3  1  0.151  0.500  0.198  1.0
  Al  Al4  1  0.750  0.000  0.000  1.0
  Al  Al5  1  0.250  0.000  0.000  1.0
[/CIF]
.
The material described by Hf2Al is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. Hf(1) is bonded in a 5-coordinate geometry to one Hf(1) and four equivalent Al(1) atoms. Al(1) is bonded in a 10-coordinate geometry to eight equivalent Hf(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Hf2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.477
_cell_length_c   5.477
_cell_angle_alpha   76.912
_cell_angle_beta   61.585
_cell_angle_gamma   61.585
_symmetry_Int_Tables_number   1
_cell_volume   120.943
_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  0.651  0.198  0.500  1.0
  Hf  Hf1  1  0.849  0.500  0.802  1.0
  Hf  Hf2  1  0.349  0.802  0.500  1.0
  Hf  Hf3  1  0.151  0.500  0.198  1.0
  Al  Al4  1  0.750  0.000  0.000  1.0
  Al  Al5  1  0.250  0.000  0.000  1.0
[/CIF]
.