The material structure described by LiAl crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), three equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to six equivalent Li(1) and three equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 11-coordinate geometry to eight equivalent Li(1) and three equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.468
_cell_length_b   4.468
_cell_length_c   8.604
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   148.752
_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
  Li  Li0  1  0.333  0.667  0.584  1.0
  Li  Li1  1  0.667  0.333  0.416  1.0
  Li  Li2  1  0.667  0.333  0.084  1.0
  Li  Li3  1  0.333  0.667  0.916  1.0
  Al  Al4  1  0.000  0.000  0.750  1.0
  Al  Al5  1  0.000  0.000  0.250  1.0
  Al  Al6  1  0.333  0.667  0.250  1.0
  Al  Al7  1  0.667  0.333  0.750  1.0
[/CIF]
.
The material structure described by LiAl crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), three equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to six equivalent Li(1) and three equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 11-coordinate geometry to eight equivalent Li(1) and three equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.468
_cell_length_b   4.468
_cell_length_c   8.604
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   148.752
_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
  Li  Li0  1  0.333  0.667  0.584  1.0
  Li  Li1  1  0.667  0.333  0.416  1.0
  Li  Li2  1  0.667  0.333  0.084  1.0
  Li  Li3  1  0.333  0.667  0.916  1.0
  Al  Al4  1  0.000  0.000  0.750  1.0
  Al  Al5  1  0.000  0.000  0.250  1.0
  Al  Al6  1  0.333  0.667  0.250  1.0
  Al  Al7  1  0.667  0.333  0.750  1.0
[/CIF]
.