The crystal structure described by AlAs2 crystallizes in the orthorhombic Ibca space group. Al(1) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), and one As(4) atom. 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 L-shaped geometry to 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 card [CIF]
data_AlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.107
_cell_length_b   9.107
_cell_length_c   9.107
_cell_angle_alpha   87.765
_cell_angle_beta   113.941
_cell_angle_gamma   129.287
_symmetry_Int_Tables_number   1
_cell_volume   508.382
_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  0.168  0.930  0.494  1.0
  Al  Al1  1  0.436  0.174  0.006  1.0
  Al  Al2  1  0.064  0.570  0.238  1.0
  Al  Al3  1  0.332  0.326  0.262  1.0
  Al  Al4  1  0.832  0.070  0.506  1.0
  Al  Al5  1  0.564  0.826  0.994  1.0
  Al  Al6  1  0.936  0.430  0.762  1.0
  Al  Al7  1  0.668  0.674  0.738  1.0
  As  As8  1  0.500  0.000  0.500  1.0
  As  As9  1  0.500  0.500  0.000  1.0
  As  As10  1  0.000  0.500  0.500  1.0
  As  As11  1  0.000  0.000  0.000  1.0
  As  As12  1  0.122  0.872  0.750  1.0
  As  As13  1  0.378  0.628  0.250  1.0
  As  As14  1  0.878  0.128  0.250  1.0
  As  As15  1  0.622  0.372  0.750  1.0
  As  As16  1  0.933  0.750  0.183  1.0
  As  As17  1  0.567  0.250  0.317  1.0
  As  As18  1  0.067  0.250  0.817  1.0
  As  As19  1  0.433  0.750  0.683  1.0
  As  As20  1  0.250  0.251  0.501  1.0
  As  As21  1  0.750  0.249  0.999  1.0
  As  As22  1  0.750  0.749  0.499  1.0
  As  As23  1  0.250  0.751  0.001  1.0
[/CIF]
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The crystal structure described by AlAs2 crystallizes in the orthorhombic Ibca space group. Al(1) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), and one As(4) atom. 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 L-shaped geometry to 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 card [CIF]
data_AlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.107
_cell_length_b   9.107
_cell_length_c   9.107
_cell_angle_alpha   87.765
_cell_angle_beta   113.941
_cell_angle_gamma   129.287
_symmetry_Int_Tables_number   1
_cell_volume   508.382
_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  0.168  0.930  0.494  1.0
  Al  Al1  1  0.436  0.174  0.006  1.0
  Al  Al2  1  0.064  0.570  0.238  1.0
  Al  Al3  1  0.332  0.326  0.262  1.0
  Al  Al4  1  0.832  0.070  0.506  1.0
  Al  Al5  1  0.564  0.826  0.994  1.0
  Al  Al6  1  0.936  0.430  0.762  1.0
  Al  Al7  1  0.668  0.674  0.738  1.0
  As  As8  1  0.500  0.000  0.500  1.0
  As  As9  1  0.500  0.500  0.000  1.0
  As  As10  1  0.000  0.500  0.500  1.0
  As  As11  1  0.000  0.000  0.000  1.0
  As  As12  1  0.122  0.872  0.750  1.0
  As  As13  1  0.378  0.628  0.250  1.0
  As  As14  1  0.878  0.128  0.250  1.0
  As  As15  1  0.622  0.372  0.750  1.0
  As  As16  1  0.933  0.750  0.183  1.0
  As  As17  1  0.567  0.250  0.317  1.0
  As  As18  1  0.067  0.250  0.817  1.0
  As  As19  1  0.433  0.750  0.683  1.0
  As  As20  1  0.250  0.251  0.501  1.0
  As  As21  1  0.750  0.249  0.999  1.0
  As  As22  1  0.750  0.749  0.499  1.0
  As  As23  1  0.250  0.751  0.001  1.0
[/CIF]
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