The material described by AlAs2 crystallizes in the orthorhombic Ibca space group. Al(1) is bonded to one As(1), one As(2), one As(3), and one As(4) atom to form distorted corner-sharing AlAs4 tetrahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded in a distorted linear geometry to two equivalent Al(1) atoms. In the second As site, As(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Al(1) atoms. In the third As site, As(3) is bonded in a distorted water-like geometry to two equivalent Al(1) atoms. In the fourth As site, As(4) is bonded in a distorted L-shaped geometry to two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_AlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.472
_cell_length_b   9.472
_cell_length_c   9.472
_cell_angle_alpha   130.876
_cell_angle_beta   121.770
_cell_angle_gamma   79.576
_symmetry_Int_Tables_number   1
_cell_volume   528.266
_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
  Al  Al0  1  0.502  0.552  0.301  1.0
  Al  Al1  1  0.998  0.299  0.050  1.0
  Al  Al2  1  0.749  0.948  0.450  1.0
  Al  Al3  1  0.751  0.201  0.199  1.0
  Al  Al4  1  0.498  0.448  0.699  1.0
  Al  Al5  1  0.002  0.701  0.950  1.0
  Al  Al6  1  0.251  0.052  0.550  1.0
  Al  Al7  1  0.249  0.799  0.801  1.0
  As  As8  1  0.500  0.500  0.000  1.0
  As  As9  1  0.000  0.000  0.000  1.0
  As  As10  1  0.500  0.000  0.500  1.0
  As  As11  1  0.000  0.500  0.500  1.0
  As  As12  1  0.250  0.583  0.333  1.0
  As  As13  1  0.750  0.917  0.167  1.0
  As  As14  1  0.750  0.417  0.667  1.0
  As  As15  1  0.250  0.083  0.833  1.0
  As  As16  1  0.801  0.750  0.551  1.0
  As  As17  1  0.699  0.250  0.949  1.0
  As  As18  1  0.199  0.250  0.449  1.0
  As  As19  1  0.301  0.750  0.051  1.0
  As  As20  1  0.506  0.256  0.250  1.0
  As  As21  1  0.994  0.244  0.750  1.0
  As  As22  1  0.494  0.744  0.750  1.0
  As  As23  1  0.006  0.756  0.250  1.0
[/CIF]
.
The material described by AlAs2 crystallizes in the orthorhombic Ibca space group. Al(1) is bonded to one As(1), one As(2), one As(3), and one As(4) atom to form distorted corner-sharing AlAs4 tetrahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded in a distorted linear geometry to two equivalent Al(1) atoms. In the second As site, As(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Al(1) atoms. In the third As site, As(3) is bonded in a distorted water-like geometry to two equivalent Al(1) atoms. In the fourth As site, As(4) is bonded in a distorted L-shaped geometry to two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_AlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.472
_cell_length_b   9.472
_cell_length_c   9.472
_cell_angle_alpha   130.876
_cell_angle_beta   121.770
_cell_angle_gamma   79.576
_symmetry_Int_Tables_number   1
_cell_volume   528.266
_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
  Al  Al0  1  0.502  0.552  0.301  1.0
  Al  Al1  1  0.998  0.299  0.050  1.0
  Al  Al2  1  0.749  0.948  0.450  1.0
  Al  Al3  1  0.751  0.201  0.199  1.0
  Al  Al4  1  0.498  0.448  0.699  1.0
  Al  Al5  1  0.002  0.701  0.950  1.0
  Al  Al6  1  0.251  0.052  0.550  1.0
  Al  Al7  1  0.249  0.799  0.801  1.0
  As  As8  1  0.500  0.500  0.000  1.0
  As  As9  1  0.000  0.000  0.000  1.0
  As  As10  1  0.500  0.000  0.500  1.0
  As  As11  1  0.000  0.500  0.500  1.0
  As  As12  1  0.250  0.583  0.333  1.0
  As  As13  1  0.750  0.917  0.167  1.0
  As  As14  1  0.750  0.417  0.667  1.0
  As  As15  1  0.250  0.083  0.833  1.0
  As  As16  1  0.801  0.750  0.551  1.0
  As  As17  1  0.699  0.250  0.949  1.0
  As  As18  1  0.199  0.250  0.449  1.0
  As  As19  1  0.301  0.750  0.051  1.0
  As  As20  1  0.506  0.256  0.250  1.0
  As  As21  1  0.994  0.244  0.750  1.0
  As  As22  1  0.494  0.744  0.750  1.0
  As  As23  1  0.006  0.756  0.250  1.0
[/CIF]
.