The structure described by Li8Al3Si5 crystallizes in the cubic P-43m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent Al(1) and one Si(2) atom to form distorted corner-sharing LiAl3Si tetrahedra. In the second Li site, Li(2) is bonded to four equivalent Si(1) atoms to form distorted corner-sharing LiSi4 tetrahedra. In the third Li site, Li(3) is bonded to four equivalent Si(1) atoms to form distorted corner-sharing LiSi4 tetrahedra. Al(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to one Li(2), three equivalent Li(3), and three equivalent Al(1) atoms. In the second Si site, Si(2) is bonded in a distorted tetrahedral geometry to four equivalent Li(1) atoms. is represented by the CIF card [CIF]
data_Li8Al3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.259
_cell_length_b   6.259
_cell_length_c   6.259
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.228
_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
  Li  Li0  1  0.254  0.746  0.254  1.0
  Li  Li1  1  0.746  0.254  0.254  1.0
  Li  Li2  1  0.254  0.254  0.746  1.0
  Li  Li3  1  0.000  0.000  0.000  1.0
  Li  Li4  1  0.000  0.500  0.500  1.0
  Li  Li5  1  0.746  0.746  0.746  1.0
  Li  Li6  1  0.500  0.000  0.500  1.0
  Li  Li7  1  0.500  0.500  0.000  1.0
  Al  Al8  1  0.000  0.000  0.500  1.0
  Al  Al9  1  0.000  0.500  0.000  1.0
  Al  Al10  1  0.500  0.000  0.000  1.0
  Si  Si11  1  0.247  0.247  0.247  1.0
  Si  Si12  1  0.500  0.500  0.500  1.0
  Si  Si13  1  0.753  0.247  0.753  1.0
  Si  Si14  1  0.753  0.753  0.247  1.0
  Si  Si15  1  0.247  0.753  0.753  1.0
[/CIF]
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The structure described by Li8Al3Si5 crystallizes in the cubic P-43m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent Al(1) and one Si(2) atom to form distorted corner-sharing LiAl3Si tetrahedra. In the second Li site, Li(2) is bonded to four equivalent Si(1) atoms to form distorted corner-sharing LiSi4 tetrahedra. In the third Li site, Li(3) is bonded to four equivalent Si(1) atoms to form distorted corner-sharing LiSi4 tetrahedra. Al(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to one Li(2), three equivalent Li(3), and three equivalent Al(1) atoms. In the second Si site, Si(2) is bonded in a distorted tetrahedral geometry to four equivalent Li(1) atoms. is represented by the CIF card [CIF]
data_Li8Al3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.259
_cell_length_b   6.259
_cell_length_c   6.259
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.228
_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
  Li  Li0  1  0.254  0.746  0.254  1.0
  Li  Li1  1  0.746  0.254  0.254  1.0
  Li  Li2  1  0.254  0.254  0.746  1.0
  Li  Li3  1  0.000  0.000  0.000  1.0
  Li  Li4  1  0.000  0.500  0.500  1.0
  Li  Li5  1  0.746  0.746  0.746  1.0
  Li  Li6  1  0.500  0.000  0.500  1.0
  Li  Li7  1  0.500  0.500  0.000  1.0
  Al  Al8  1  0.000  0.000  0.500  1.0
  Al  Al9  1  0.000  0.500  0.000  1.0
  Al  Al10  1  0.500  0.000  0.000  1.0
  Si  Si11  1  0.247  0.247  0.247  1.0
  Si  Si12  1  0.500  0.500  0.500  1.0
  Si  Si13  1  0.753  0.247  0.753  1.0
  Si  Si14  1  0.753  0.753  0.247  1.0
  Si  Si15  1  0.247  0.753  0.753  1.0
[/CIF]
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