The crystal structure described by LiAl crystallizes in the orthorhombic Cmce space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Al(1) atoms to form distorted edge-sharing LiAl4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent Al(1) and two equivalent Al(2) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent Al(2) and four equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent Li(2), two equivalent Li(3), one Al(2), and four equivalent Al(1) atoms. In the second Al site, Al(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), two equivalent Li(3), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.868
_cell_length_b   8.868
_cell_length_c   5.901
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.320
_symmetry_Int_Tables_number   1
_cell_volume   463.633
_cell_formula_units_Z   12
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  0.514  0.014  0.750  1.0
  Li  Li1  1  0.986  0.486  0.250  1.0
  Li  Li2  1  0.486  0.986  0.250  1.0
  Li  Li3  1  0.014  0.514  0.750  1.0
  Li  Li4  1  0.306  0.694  0.500  1.0
  Li  Li5  1  0.806  0.194  0.000  1.0
  Li  Li6  1  0.694  0.306  0.500  1.0
  Li  Li7  1  0.194  0.806  0.000  1.0
  Li  Li8  1  0.289  0.289  0.391  1.0
  Li  Li9  1  0.711  0.711  0.609  1.0
  Li  Li10  1  0.211  0.211  0.891  1.0
  Li  Li11  1  0.789  0.789  0.109  1.0
  Al  Al12  1  0.225  0.997  0.537  1.0
  Al  Al13  1  0.003  0.775  0.463  1.0
  Al  Al14  1  0.503  0.275  0.037  1.0
  Al  Al15  1  0.725  0.497  0.963  1.0
  Al  Al16  1  0.775  0.003  0.463  1.0
  Al  Al17  1  0.997  0.225  0.537  1.0
  Al  Al18  1  0.497  0.725  0.963  1.0
  Al  Al19  1  0.275  0.503  0.037  1.0
  Al  Al20  1  0.973  0.973  0.791  1.0
  Al  Al21  1  0.027  0.027  0.209  1.0
  Al  Al22  1  0.527  0.527  0.291  1.0
  Al  Al23  1  0.473  0.473  0.709  1.0
[/CIF]
.
The crystal structure described by LiAl crystallizes in the orthorhombic Cmce space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Al(1) atoms to form distorted edge-sharing LiAl4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent Al(1) and two equivalent Al(2) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent Al(2) and four equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent Li(2), two equivalent Li(3), one Al(2), and four equivalent Al(1) atoms. In the second Al site, Al(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), two equivalent Li(3), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.868
_cell_length_b   8.868
_cell_length_c   5.901
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.320
_symmetry_Int_Tables_number   1
_cell_volume   463.633
_cell_formula_units_Z   12
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  0.514  0.014  0.750  1.0
  Li  Li1  1  0.986  0.486  0.250  1.0
  Li  Li2  1  0.486  0.986  0.250  1.0
  Li  Li3  1  0.014  0.514  0.750  1.0
  Li  Li4  1  0.306  0.694  0.500  1.0
  Li  Li5  1  0.806  0.194  0.000  1.0
  Li  Li6  1  0.694  0.306  0.500  1.0
  Li  Li7  1  0.194  0.806  0.000  1.0
  Li  Li8  1  0.289  0.289  0.391  1.0
  Li  Li9  1  0.711  0.711  0.609  1.0
  Li  Li10  1  0.211  0.211  0.891  1.0
  Li  Li11  1  0.789  0.789  0.109  1.0
  Al  Al12  1  0.225  0.997  0.537  1.0
  Al  Al13  1  0.003  0.775  0.463  1.0
  Al  Al14  1  0.503  0.275  0.037  1.0
  Al  Al15  1  0.725  0.497  0.963  1.0
  Al  Al16  1  0.775  0.003  0.463  1.0
  Al  Al17  1  0.997  0.225  0.537  1.0
  Al  Al18  1  0.497  0.725  0.963  1.0
  Al  Al19  1  0.275  0.503  0.037  1.0
  Al  Al20  1  0.973  0.973  0.791  1.0
  Al  Al21  1  0.027  0.027  0.209  1.0
  Al  Al22  1  0.527  0.527  0.291  1.0
  Al  Al23  1  0.473  0.473  0.709  1.0
[/CIF]
.