The material described by Al4Li9 is zeta silver zinc-like structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Al(1) and one Al(2) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Al(1) and three equivalent Al(2) atoms. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to two equivalent Al(1) atoms. In the fourth Li site, Li(4) is bonded in a distorted linear geometry to two equivalent Al(2) atoms. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one Al(2) and two equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Li(5) atoms. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(4), one Li(5), and three equivalent Li(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Al4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.448
_cell_length_b   5.363
_cell_length_c   9.588
_cell_angle_alpha   105.135
_cell_angle_beta   103.199
_cell_angle_gamma   90.068
_symmetry_Int_Tables_number   1
_cell_volume   214.505
_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
  Li  Li0  1  0.231  0.841  0.465  1.0
  Li  Li1  1  0.308  0.475  0.616  1.0
  Li  Li2  1  0.692  0.525  0.384  1.0
  Li  Li3  1  0.543  0.325  0.088  1.0
  Li  Li4  1  0.769  0.159  0.535  1.0
  Li  Li5  1  0.457  0.675  0.912  1.0
  Li  Li6  1  0.000  0.000  0.000  1.0
  Li  Li7  1  0.914  0.359  0.830  1.0
  Li  Li8  1  0.086  0.641  0.170  1.0
  Al  Al9  1  0.614  0.935  0.229  1.0
  Al  Al10  1  0.386  0.065  0.771  1.0
  Al  Al11  1  0.150  0.215  0.301  1.0
  Al  Al12  1  0.850  0.785  0.699  1.0
[/CIF]
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The material described by Al4Li9 is zeta silver zinc-like structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Al(1) and one Al(2) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Al(1) and three equivalent Al(2) atoms. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to two equivalent Al(1) atoms. In the fourth Li site, Li(4) is bonded in a distorted linear geometry to two equivalent Al(2) atoms. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one Al(2) and two equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Li(5) atoms. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(4), one Li(5), and three equivalent Li(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Al4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.448
_cell_length_b   5.363
_cell_length_c   9.588
_cell_angle_alpha   105.135
_cell_angle_beta   103.199
_cell_angle_gamma   90.068
_symmetry_Int_Tables_number   1
_cell_volume   214.505
_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
  Li  Li0  1  0.231  0.841  0.465  1.0
  Li  Li1  1  0.308  0.475  0.616  1.0
  Li  Li2  1  0.692  0.525  0.384  1.0
  Li  Li3  1  0.543  0.325  0.088  1.0
  Li  Li4  1  0.769  0.159  0.535  1.0
  Li  Li5  1  0.457  0.675  0.912  1.0
  Li  Li6  1  0.000  0.000  0.000  1.0
  Li  Li7  1  0.914  0.359  0.830  1.0
  Li  Li8  1  0.086  0.641  0.170  1.0
  Al  Al9  1  0.614  0.935  0.229  1.0
  Al  Al10  1  0.386  0.065  0.771  1.0
  Al  Al11  1  0.150  0.215  0.301  1.0
  Al  Al12  1  0.850  0.785  0.699  1.0
[/CIF]
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