The compound described by Li13Si4 crystallizes in the orthorhombic Pbam space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Li(2), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Li site, Li(2) is bonded in a 11-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(7), two equivalent Li(3), one Si(2), and four equivalent Si(1) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to two equivalent Li(2), two equivalent Si(1), and two equivalent Si(2) atoms. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to one Li(2) and two equivalent Si(2) atoms. In the fifth Li site, Li(5) is bonded in a distorted trigonal planar geometry to one Si(1) and two equivalent Si(2) atoms. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one Si(1) and two equivalent Si(2) atoms. In the seventh Li site, Li(7) is bonded in a linear geometry to two equivalent Li(2) and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to one Li(5), one Li(6), two equivalent Li(1), two equivalent Li(3), four equivalent Li(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 12-coordinate geometry to one Li(2), one Li(7), two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), two equivalent Li(5), and two equivalent Li(6) atoms. is represented by the CIF file [CIF]
data_Li13Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.414
_cell_length_b   7.904
_cell_length_c   15.009
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   523.608
_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  0.000  0.768  0.155  1.0
  Li  Li1  1  0.000  0.347  0.525  1.0
  Li  Li2  1  0.000  0.153  0.025  1.0
  Li  Li3  1  0.500  0.757  0.404  1.0
  Li  Li4  1  0.000  0.232  0.845  1.0
  Li  Li5  1  0.000  0.406  0.694  1.0
  Li  Li6  1  0.000  0.906  0.806  1.0
  Li  Li7  1  0.500  0.592  0.745  1.0
  Li  Li8  1  0.500  0.907  0.607  1.0
  Li  Li9  1  0.000  0.732  0.655  1.0
  Li  Li10  1  0.500  0.243  0.596  1.0
  Li  Li11  1  0.500  0.257  0.096  1.0
  Li  Li12  1  0.500  0.093  0.393  1.0
  Li  Li13  1  0.500  0.743  0.904  1.0
  Li  Li14  1  0.500  0.092  0.755  1.0
  Li  Li15  1  0.000  0.268  0.345  1.0
  Li  Li16  1  0.500  0.408  0.255  1.0
  Li  Li17  1  0.000  0.000  0.500  1.0
  Li  Li18  1  0.000  0.094  0.194  1.0
  Li  Li19  1  0.500  0.407  0.893  1.0
  Li  Li20  1  0.000  0.653  0.475  1.0
  Li  Li21  1  0.000  0.847  0.975  1.0
  Li  Li22  1  0.500  0.908  0.245  1.0
  Li  Li23  1  0.000  0.500  0.000  1.0
  Li  Li24  1  0.500  0.593  0.107  1.0
  Li  Li25  1  0.000  0.594  0.306  1.0
  Si  Si26  1  0.500  0.927  0.069  1.0
  Si  Si27  1  0.000  0.584  0.840  1.0
  Si  Si28  1  0.000  0.416  0.160  1.0
  Si  Si29  1  0.500  0.573  0.569  1.0
  Si  Si30  1  0.000  0.084  0.660  1.0
  Si  Si31  1  0.500  0.427  0.431  1.0
  Si  Si32  1  0.500  0.073  0.931  1.0
  Si  Si33  1  0.000  0.916  0.340  1.0
[/CIF]
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The compound described by Li13Si4 crystallizes in the orthorhombic Pbam space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Li(2), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Li site, Li(2) is bonded in a 11-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(7), two equivalent Li(3), one Si(2), and four equivalent Si(1) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to two equivalent Li(2), two equivalent Si(1), and two equivalent Si(2) atoms. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to one Li(2) and two equivalent Si(2) atoms. In the fifth Li site, Li(5) is bonded in a distorted trigonal planar geometry to one Si(1) and two equivalent Si(2) atoms. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one Si(1) and two equivalent Si(2) atoms. In the seventh Li site, Li(7) is bonded in a linear geometry to two equivalent Li(2) and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to one Li(5), one Li(6), two equivalent Li(1), two equivalent Li(3), four equivalent Li(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 12-coordinate geometry to one Li(2), one Li(7), two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), two equivalent Li(5), and two equivalent Li(6) atoms. is represented by the CIF file [CIF]
data_Li13Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.414
_cell_length_b   7.904
_cell_length_c   15.009
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   523.608
_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  0.000  0.768  0.155  1.0
  Li  Li1  1  0.000  0.347  0.525  1.0
  Li  Li2  1  0.000  0.153  0.025  1.0
  Li  Li3  1  0.500  0.757  0.404  1.0
  Li  Li4  1  0.000  0.232  0.845  1.0
  Li  Li5  1  0.000  0.406  0.694  1.0
  Li  Li6  1  0.000  0.906  0.806  1.0
  Li  Li7  1  0.500  0.592  0.745  1.0
  Li  Li8  1  0.500  0.907  0.607  1.0
  Li  Li9  1  0.000  0.732  0.655  1.0
  Li  Li10  1  0.500  0.243  0.596  1.0
  Li  Li11  1  0.500  0.257  0.096  1.0
  Li  Li12  1  0.500  0.093  0.393  1.0
  Li  Li13  1  0.500  0.743  0.904  1.0
  Li  Li14  1  0.500  0.092  0.755  1.0
  Li  Li15  1  0.000  0.268  0.345  1.0
  Li  Li16  1  0.500  0.408  0.255  1.0
  Li  Li17  1  0.000  0.000  0.500  1.0
  Li  Li18  1  0.000  0.094  0.194  1.0
  Li  Li19  1  0.500  0.407  0.893  1.0
  Li  Li20  1  0.000  0.653  0.475  1.0
  Li  Li21  1  0.000  0.847  0.975  1.0
  Li  Li22  1  0.500  0.908  0.245  1.0
  Li  Li23  1  0.000  0.500  0.000  1.0
  Li  Li24  1  0.500  0.593  0.107  1.0
  Li  Li25  1  0.000  0.594  0.306  1.0
  Si  Si26  1  0.500  0.927  0.069  1.0
  Si  Si27  1  0.000  0.584  0.840  1.0
  Si  Si28  1  0.000  0.416  0.160  1.0
  Si  Si29  1  0.500  0.573  0.569  1.0
  Si  Si30  1  0.000  0.084  0.660  1.0
  Si  Si31  1  0.500  0.427  0.431  1.0
  Si  Si32  1  0.500  0.073  0.931  1.0
  Si  Si33  1  0.000  0.916  0.340  1.0
[/CIF]
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