The compound described by Li5SiAs3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Si(1), two equivalent As(1), and two equivalent As(2) atoms to form distorted LiSi2As4 tetrahedra that share corners with two equivalent Li(3)SiAs4 tetrahedra, corners with four equivalent Li(1)Si2As4 tetrahedra, and edges with six equivalent Li(3)SiAs4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Si(1), one As(1), and three equivalent As(2) atoms. In the third Li site, Li(3) is bonded to one Si(1), one As(1), and three equivalent As(2) atoms to form distorted LiSiAs4 tetrahedra that share  a cornercorner with one Li(1)Si2As4 tetrahedra, corners with six equivalent Li(3)SiAs4 tetrahedra,  an edgeedge with one Li(3)SiAs4 tetrahedra, and edges with three equivalent Li(1)Si2As4 tetrahedra. Si(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a body-centered cubic geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), and two equivalent Si(1) atoms. In the second As site, As(2) is bonded in a body-centered cubic geometry to one Li(1), three equivalent Li(2), three equivalent Li(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5SiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.328
_cell_length_b   7.328
_cell_length_c   8.546
_cell_angle_alpha   73.247
_cell_angle_beta   73.247
_cell_angle_gamma   48.423
_symmetry_Int_Tables_number   1
_cell_volume   325.668
_cell_formula_units_Z   2
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  0.751  0.249  0.250  1.0
  Li  Li1  1  0.089  0.586  0.072  1.0
  Li  Li2  1  0.421  0.912  0.912  1.0
  Li  Li3  1  0.911  0.414  0.928  1.0
  Li  Li4  1  0.088  0.579  0.588  1.0
  Li  Li5  1  0.249  0.751  0.750  1.0
  Li  Li6  1  0.586  0.089  0.572  1.0
  Li  Li7  1  0.414  0.911  0.428  1.0
  Li  Li8  1  0.912  0.421  0.412  1.0
  Li  Li9  1  0.579  0.088  0.088  1.0
  Si  Si10  1  0.262  0.738  0.250  1.0
  Si  Si11  1  0.738  0.262  0.750  1.0
  As  As12  1  0.000  0.000  0.000  1.0
  As  As13  1  0.686  0.629  0.676  1.0
  As  As14  1  0.000  0.000  0.500  1.0
  As  As15  1  0.314  0.371  0.324  1.0
  As  As16  1  0.629  0.686  0.176  1.0
  As  As17  1  0.371  0.314  0.824  1.0
[/CIF]
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The compound described by Li5SiAs3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Si(1), two equivalent As(1), and two equivalent As(2) atoms to form distorted LiSi2As4 tetrahedra that share corners with two equivalent Li(3)SiAs4 tetrahedra, corners with four equivalent Li(1)Si2As4 tetrahedra, and edges with six equivalent Li(3)SiAs4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Si(1), one As(1), and three equivalent As(2) atoms. In the third Li site, Li(3) is bonded to one Si(1), one As(1), and three equivalent As(2) atoms to form distorted LiSiAs4 tetrahedra that share  a cornercorner with one Li(1)Si2As4 tetrahedra, corners with six equivalent Li(3)SiAs4 tetrahedra,  an edgeedge with one Li(3)SiAs4 tetrahedra, and edges with three equivalent Li(1)Si2As4 tetrahedra. Si(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a body-centered cubic geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), and two equivalent Si(1) atoms. In the second As site, As(2) is bonded in a body-centered cubic geometry to one Li(1), three equivalent Li(2), three equivalent Li(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5SiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.328
_cell_length_b   7.328
_cell_length_c   8.546
_cell_angle_alpha   73.247
_cell_angle_beta   73.247
_cell_angle_gamma   48.423
_symmetry_Int_Tables_number   1
_cell_volume   325.668
_cell_formula_units_Z   2
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  0.751  0.249  0.250  1.0
  Li  Li1  1  0.089  0.586  0.072  1.0
  Li  Li2  1  0.421  0.912  0.912  1.0
  Li  Li3  1  0.911  0.414  0.928  1.0
  Li  Li4  1  0.088  0.579  0.588  1.0
  Li  Li5  1  0.249  0.751  0.750  1.0
  Li  Li6  1  0.586  0.089  0.572  1.0
  Li  Li7  1  0.414  0.911  0.428  1.0
  Li  Li8  1  0.912  0.421  0.412  1.0
  Li  Li9  1  0.579  0.088  0.088  1.0
  Si  Si10  1  0.262  0.738  0.250  1.0
  Si  Si11  1  0.738  0.262  0.750  1.0
  As  As12  1  0.000  0.000  0.000  1.0
  As  As13  1  0.686  0.629  0.676  1.0
  As  As14  1  0.000  0.000  0.500  1.0
  As  As15  1  0.314  0.371  0.324  1.0
  As  As16  1  0.629  0.686  0.176  1.0
  As  As17  1  0.371  0.314  0.824  1.0
[/CIF]
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