The crystal structure described by LiAs crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and two equivalent As(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and two equivalent As(1) atoms. is represented by the CIF file [CIF]
data_LiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.814
_cell_length_c   9.520
_cell_angle_alpha   94.537
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.389
_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  0.833  0.321  0.551  1.0
  Li  Li1  1  0.333  0.179  0.949  1.0
  Li  Li2  1  0.167  0.679  0.449  1.0
  Li  Li3  1  0.667  0.821  0.051  1.0
  Li  Li4  1  0.083  0.597  0.829  1.0
  Li  Li5  1  0.583  0.903  0.671  1.0
  Li  Li6  1  0.917  0.403  0.171  1.0
  Li  Li7  1  0.417  0.097  0.329  1.0
  As  As8  1  0.333  0.312  0.601  1.0
  As  As9  1  0.833  0.188  0.899  1.0
  As  As10  1  0.667  0.688  0.399  1.0
  As  As11  1  0.167  0.812  0.101  1.0
  As  As12  1  0.577  0.497  0.800  1.0
  As  As13  1  0.077  0.003  0.700  1.0
  As  As14  1  0.423  0.503  0.200  1.0
  As  As15  1  0.923  0.997  0.300  1.0
[/CIF]
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The crystal structure described by LiAs crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and two equivalent As(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and two equivalent As(1) atoms. is represented by the CIF file [CIF]
data_LiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.814
_cell_length_c   9.520
_cell_angle_alpha   94.537
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.389
_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  0.833  0.321  0.551  1.0
  Li  Li1  1  0.333  0.179  0.949  1.0
  Li  Li2  1  0.167  0.679  0.449  1.0
  Li  Li3  1  0.667  0.821  0.051  1.0
  Li  Li4  1  0.083  0.597  0.829  1.0
  Li  Li5  1  0.583  0.903  0.671  1.0
  Li  Li6  1  0.917  0.403  0.171  1.0
  Li  Li7  1  0.417  0.097  0.329  1.0
  As  As8  1  0.333  0.312  0.601  1.0
  As  As9  1  0.833  0.188  0.899  1.0
  As  As10  1  0.667  0.688  0.399  1.0
  As  As11  1  0.167  0.812  0.101  1.0
  As  As12  1  0.577  0.497  0.800  1.0
  As  As13  1  0.077  0.003  0.700  1.0
  As  As14  1  0.423  0.503  0.200  1.0
  As  As15  1  0.923  0.997  0.300  1.0
[/CIF]
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