The compound described by Li13In3 crystallizes in the cubic Fd-3m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(3) and four equivalent In(2) atoms. In the second Li site, Li(2) is bonded in a distorted linear geometry to two equivalent In(1) atoms. In the third Li site, Li(3) is bonded in a 11-coordinate geometry to one Li(1), six equivalent Li(4), one In(1), and three equivalent In(2) atoms. In the fourth Li site, Li(4) is bonded in a distorted water-like geometry to four equivalent Li(3), one In(1), and two equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2), four equivalent Li(3), and six equivalent Li(4) atoms. In the second In site, In(2) is bonded in a distorted body-centered cubic geometry to two equivalent Li(1), six equivalent Li(3), and six equivalent Li(4) atoms. is represented by the CIF card [CIF]
data_Li13In3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.345
_cell_length_b   9.345
_cell_length_c   9.345
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   577.057
_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  0.875  0.875  0.875  1.0
  Li  Li1  1  0.125  0.125  0.125  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  Li  Li4  1  0.000  0.500  0.500  1.0
  Li  Li5  1  0.500  0.000  0.500  1.0
  Li  Li6  1  0.244  0.244  0.244  1.0
  Li  Li7  1  0.756  0.756  0.233  1.0
  Li  Li8  1  0.233  0.756  0.756  1.0
  Li  Li9  1  0.756  0.233  0.756  1.0
  Li  Li10  1  0.767  0.244  0.244  1.0
  Li  Li11  1  0.244  0.767  0.244  1.0
  Li  Li12  1  0.244  0.244  0.767  1.0
  Li  Li13  1  0.756  0.756  0.756  1.0
  Li  Li14  1  0.622  0.128  0.128  1.0
  Li  Li15  1  0.872  0.872  0.378  1.0
  Li  Li16  1  0.378  0.378  0.872  1.0
  Li  Li17  1  0.872  0.378  0.378  1.0
  Li  Li18  1  0.872  0.378  0.872  1.0
  Li  Li19  1  0.378  0.872  0.378  1.0
  Li  Li20  1  0.128  0.622  0.128  1.0
  Li  Li21  1  0.128  0.128  0.622  1.0
  Li  Li22  1  0.622  0.622  0.128  1.0
  Li  Li23  1  0.622  0.128  0.622  1.0
  Li  Li24  1  0.378  0.872  0.872  1.0
  Li  Li25  1  0.128  0.622  0.622  1.0
  In  In26  1  0.375  0.375  0.375  1.0
  In  In27  1  0.625  0.625  0.625  1.0
  In  In28  1  0.000  0.000  0.000  1.0
  In  In29  1  0.000  0.000  0.500  1.0
  In  In30  1  0.500  0.000  0.000  1.0
  In  In31  1  0.000  0.500  0.000  1.0
[/CIF]
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The compound described by Li13In3 crystallizes in the cubic Fd-3m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(3) and four equivalent In(2) atoms. In the second Li site, Li(2) is bonded in a distorted linear geometry to two equivalent In(1) atoms. In the third Li site, Li(3) is bonded in a 11-coordinate geometry to one Li(1), six equivalent Li(4), one In(1), and three equivalent In(2) atoms. In the fourth Li site, Li(4) is bonded in a distorted water-like geometry to four equivalent Li(3), one In(1), and two equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2), four equivalent Li(3), and six equivalent Li(4) atoms. In the second In site, In(2) is bonded in a distorted body-centered cubic geometry to two equivalent Li(1), six equivalent Li(3), and six equivalent Li(4) atoms. is represented by the CIF card [CIF]
data_Li13In3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.345
_cell_length_b   9.345
_cell_length_c   9.345
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   577.057
_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  0.875  0.875  0.875  1.0
  Li  Li1  1  0.125  0.125  0.125  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  Li  Li4  1  0.000  0.500  0.500  1.0
  Li  Li5  1  0.500  0.000  0.500  1.0
  Li  Li6  1  0.244  0.244  0.244  1.0
  Li  Li7  1  0.756  0.756  0.233  1.0
  Li  Li8  1  0.233  0.756  0.756  1.0
  Li  Li9  1  0.756  0.233  0.756  1.0
  Li  Li10  1  0.767  0.244  0.244  1.0
  Li  Li11  1  0.244  0.767  0.244  1.0
  Li  Li12  1  0.244  0.244  0.767  1.0
  Li  Li13  1  0.756  0.756  0.756  1.0
  Li  Li14  1  0.622  0.128  0.128  1.0
  Li  Li15  1  0.872  0.872  0.378  1.0
  Li  Li16  1  0.378  0.378  0.872  1.0
  Li  Li17  1  0.872  0.378  0.378  1.0
  Li  Li18  1  0.872  0.378  0.872  1.0
  Li  Li19  1  0.378  0.872  0.378  1.0
  Li  Li20  1  0.128  0.622  0.128  1.0
  Li  Li21  1  0.128  0.128  0.622  1.0
  Li  Li22  1  0.622  0.622  0.128  1.0
  Li  Li23  1  0.622  0.128  0.622  1.0
  Li  Li24  1  0.378  0.872  0.872  1.0
  Li  Li25  1  0.128  0.622  0.622  1.0
  In  In26  1  0.375  0.375  0.375  1.0
  In  In27  1  0.625  0.625  0.625  1.0
  In  In28  1  0.000  0.000  0.000  1.0
  In  In29  1  0.000  0.000  0.500  1.0
  In  In30  1  0.500  0.000  0.000  1.0
  In  In31  1  0.000  0.500  0.000  1.0
[/CIF]
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