The crystal structure described by Ba3(LiAs)4 crystallizes in the orthorhombic Immm space group. Li(1) is bonded to three equivalent Ba(1), one As(1), and three equivalent As(2) atoms to form distorted LiBa3As4 tetrahedra that share  a cornercorner with one Ba(2)As6 octahedra, corners with five equivalent Li(1)Ba3As4 tetrahedra, edges with two equivalent Ba(2)As6 octahedra, edges with six equivalent Li(1)Ba3As4 tetrahedra, and faces with four equivalent Li(1)Ba3As4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 14-coordinate geometry to six equivalent Li(1), four equivalent As(1), and four equivalent As(2) atoms. In the second Ba site, Ba(2) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form BaAs6 octahedra that share corners with four equivalent Li(1)Ba3As4 tetrahedra, edges with two equivalent Ba(2)As6 octahedra, and edges with eight equivalent Li(1)Ba3As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Ba(2), four equivalent Ba(1), and one As(1) atom. In the second As site, As(2) is bonded in a 7-coordinate geometry to six equivalent Li(1), one Ba(2), and four equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_Ba3(LiAs)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.727
_cell_length_b   7.229
_cell_length_c   9.009
_cell_angle_alpha   113.709
_cell_angle_beta   105.209
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.043
_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
  Ba  Ba0  1  0.131  0.632  0.263  1.0
  Ba  Ba1  1  0.869  0.368  0.737  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.678  0.984  0.356  1.0
  Li  Li4  1  0.322  0.016  0.644  1.0
  Li  Li5  1  0.322  0.627  0.643  1.0
  Li  Li6  1  0.678  0.373  0.357  1.0
  As  As7  1  0.500  0.328  0.000  1.0
  As  As8  1  0.787  0.787  0.575  1.0
  As  As9  1  0.213  0.213  0.425  1.0
  As  As10  1  0.500  0.672  1.000  1.0
[/CIF]
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The crystal structure described by Ba3(LiAs)4 crystallizes in the orthorhombic Immm space group. Li(1) is bonded to three equivalent Ba(1), one As(1), and three equivalent As(2) atoms to form distorted LiBa3As4 tetrahedra that share  a cornercorner with one Ba(2)As6 octahedra, corners with five equivalent Li(1)Ba3As4 tetrahedra, edges with two equivalent Ba(2)As6 octahedra, edges with six equivalent Li(1)Ba3As4 tetrahedra, and faces with four equivalent Li(1)Ba3As4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 14-coordinate geometry to six equivalent Li(1), four equivalent As(1), and four equivalent As(2) atoms. In the second Ba site, Ba(2) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form BaAs6 octahedra that share corners with four equivalent Li(1)Ba3As4 tetrahedra, edges with two equivalent Ba(2)As6 octahedra, and edges with eight equivalent Li(1)Ba3As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Ba(2), four equivalent Ba(1), and one As(1) atom. In the second As site, As(2) is bonded in a 7-coordinate geometry to six equivalent Li(1), one Ba(2), and four equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_Ba3(LiAs)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.727
_cell_length_b   7.229
_cell_length_c   9.009
_cell_angle_alpha   113.709
_cell_angle_beta   105.209
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.043
_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
  Ba  Ba0  1  0.131  0.632  0.263  1.0
  Ba  Ba1  1  0.869  0.368  0.737  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.678  0.984  0.356  1.0
  Li  Li4  1  0.322  0.016  0.644  1.0
  Li  Li5  1  0.322  0.627  0.643  1.0
  Li  Li6  1  0.678  0.373  0.357  1.0
  As  As7  1  0.500  0.328  0.000  1.0
  As  As8  1  0.787  0.787  0.575  1.0
  As  As9  1  0.213  0.213  0.425  1.0
  As  As10  1  0.500  0.672  1.000  1.0
[/CIF]
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