The structure described by LiAlAs2 crystallizes in the orthorhombic Ibca space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent Al(1), one As(2), one As(3), and two equivalent As(1) atoms. Al(1) is bonded in a 7-coordinate geometry to two equivalent Li(1), one As(1), one As(3), one As(4), and two equivalent As(2) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a distorted hexagonal planar geometry to four equivalent Li(1) and two equivalent Al(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Li(1) and four equivalent Al(1) atoms. In the third As site, As(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Al(1) atoms. In the fourth As site, As(4) is bonded in a distorted water-like geometry to two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_LiAlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.927
_cell_length_b   9.927
_cell_length_c   9.927
_cell_angle_alpha   133.052
_cell_angle_beta   110.455
_cell_angle_gamma   88.159
_symmetry_Int_Tables_number   1
_cell_volume   638.631
_cell_formula_units_Z   8
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  0.765  0.149  0.112  1.0
  Li  Li1  1  0.735  0.847  0.384  1.0
  Li  Li2  1  0.963  0.351  0.116  1.0
  Li  Li3  1  0.537  0.653  0.388  1.0
  Li  Li4  1  0.235  0.851  0.888  1.0
  Li  Li5  1  0.265  0.153  0.616  1.0
  Li  Li6  1  0.037  0.649  0.884  1.0
  Li  Li7  1  0.463  0.347  0.612  1.0
  Al  Al8  1  0.449  0.980  0.725  1.0
  Al  Al9  1  0.051  0.776  0.531  1.0
  Al  Al10  1  0.745  0.520  0.969  1.0
  Al  Al11  1  0.755  0.724  0.775  1.0
  Al  Al12  1  0.551  0.020  0.275  1.0
  Al  Al13  1  0.949  0.224  0.469  1.0
  Al  Al14  1  0.255  0.480  0.031  1.0
  Al  Al15  1  0.245  0.276  0.225  1.0
  As  As16  1  0.500  0.000  0.500  1.0
  As  As17  1  0.000  0.500  0.500  1.0
  As  As18  1  0.500  0.500  0.000  1.0
  As  As19  1  0.000  0.000  0.000  1.0
  As  As20  1  0.250  0.098  0.848  1.0
  As  As21  1  0.750  0.402  0.652  1.0
  As  As22  1  0.750  0.902  0.152  1.0
  As  As23  1  0.250  0.598  0.348  1.0
  As  As24  1  0.674  0.250  0.924  1.0
  As  As25  1  0.826  0.750  0.576  1.0
  As  As26  1  0.326  0.750  0.076  1.0
  As  As27  1  0.174  0.250  0.424  1.0
  As  As28  1  0.502  0.752  0.750  1.0
  As  As29  1  0.998  0.748  0.250  1.0
  As  As30  1  0.498  0.248  0.250  1.0
  As  As31  1  0.002  0.252  0.750  1.0
[/CIF]
.
The structure described by LiAlAs2 crystallizes in the orthorhombic Ibca space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent Al(1), one As(2), one As(3), and two equivalent As(1) atoms. Al(1) is bonded in a 7-coordinate geometry to two equivalent Li(1), one As(1), one As(3), one As(4), and two equivalent As(2) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a distorted hexagonal planar geometry to four equivalent Li(1) and two equivalent Al(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Li(1) and four equivalent Al(1) atoms. In the third As site, As(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Al(1) atoms. In the fourth As site, As(4) is bonded in a distorted water-like geometry to two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_LiAlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.927
_cell_length_b   9.927
_cell_length_c   9.927
_cell_angle_alpha   133.052
_cell_angle_beta   110.455
_cell_angle_gamma   88.159
_symmetry_Int_Tables_number   1
_cell_volume   638.631
_cell_formula_units_Z   8
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  0.765  0.149  0.112  1.0
  Li  Li1  1  0.735  0.847  0.384  1.0
  Li  Li2  1  0.963  0.351  0.116  1.0
  Li  Li3  1  0.537  0.653  0.388  1.0
  Li  Li4  1  0.235  0.851  0.888  1.0
  Li  Li5  1  0.265  0.153  0.616  1.0
  Li  Li6  1  0.037  0.649  0.884  1.0
  Li  Li7  1  0.463  0.347  0.612  1.0
  Al  Al8  1  0.449  0.980  0.725  1.0
  Al  Al9  1  0.051  0.776  0.531  1.0
  Al  Al10  1  0.745  0.520  0.969  1.0
  Al  Al11  1  0.755  0.724  0.775  1.0
  Al  Al12  1  0.551  0.020  0.275  1.0
  Al  Al13  1  0.949  0.224  0.469  1.0
  Al  Al14  1  0.255  0.480  0.031  1.0
  Al  Al15  1  0.245  0.276  0.225  1.0
  As  As16  1  0.500  0.000  0.500  1.0
  As  As17  1  0.000  0.500  0.500  1.0
  As  As18  1  0.500  0.500  0.000  1.0
  As  As19  1  0.000  0.000  0.000  1.0
  As  As20  1  0.250  0.098  0.848  1.0
  As  As21  1  0.750  0.402  0.652  1.0
  As  As22  1  0.750  0.902  0.152  1.0
  As  As23  1  0.250  0.598  0.348  1.0
  As  As24  1  0.674  0.250  0.924  1.0
  As  As25  1  0.826  0.750  0.576  1.0
  As  As26  1  0.326  0.750  0.076  1.0
  As  As27  1  0.174  0.250  0.424  1.0
  As  As28  1  0.502  0.752  0.750  1.0
  As  As29  1  0.998  0.748  0.250  1.0
  As  As30  1  0.498  0.248  0.250  1.0
  As  As31  1  0.002  0.252  0.750  1.0
[/CIF]
.