The material structure described by Li3Ag2Si3 crystallizes in the tetragonal P4_2/nnm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent Si(2) and four equivalent Si(1) atoms. In the second Li site, Li(2) is bonded to four equivalent Ag(1) atoms to form distorted corner-sharing LiAg4 tetrahedra. Ag(1) is bonded in a 2-coordinate 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 4-coordinate geometry to four equivalent Li(1) atoms. In the second Si site, Si(2) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Si3Ag2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.234
_cell_length_b   6.234
_cell_length_c   6.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.289
_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  0.250  0.750  0.250  1.0
  Li  Li1  1  0.750  0.750  0.750  1.0
  Li  Li2  1  0.250  0.250  0.750  1.0
  Li  Li3  1  0.750  0.250  0.250  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Li  Li5  1  0.500  0.500  0.500  1.0
  Si  Si6  1  0.500  0.000  0.000  1.0
  Si  Si7  1  0.500  0.000  0.500  1.0
  Si  Si8  1  0.000  0.500  0.500  1.0
  Si  Si9  1  0.000  0.500  0.000  1.0
  Si  Si10  1  0.500  0.500  0.000  1.0
  Si  Si11  1  0.000  0.000  0.500  1.0
  Ag  Ag12  1  0.250  0.750  0.750  1.0
  Ag  Ag13  1  0.750  0.750  0.250  1.0
  Ag  Ag14  1  0.250  0.250  0.250  1.0
  Ag  Ag15  1  0.750  0.250  0.750  1.0
[/CIF]
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The material structure described by Li3Ag2Si3 crystallizes in the tetragonal P4_2/nnm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent Si(2) and four equivalent Si(1) atoms. In the second Li site, Li(2) is bonded to four equivalent Ag(1) atoms to form distorted corner-sharing LiAg4 tetrahedra. Ag(1) is bonded in a 2-coordinate 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 4-coordinate geometry to four equivalent Li(1) atoms. In the second Si site, Si(2) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Si3Ag2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.234
_cell_length_b   6.234
_cell_length_c   6.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.289
_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  0.250  0.750  0.250  1.0
  Li  Li1  1  0.750  0.750  0.750  1.0
  Li  Li2  1  0.250  0.250  0.750  1.0
  Li  Li3  1  0.750  0.250  0.250  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Li  Li5  1  0.500  0.500  0.500  1.0
  Si  Si6  1  0.500  0.000  0.000  1.0
  Si  Si7  1  0.500  0.000  0.500  1.0
  Si  Si8  1  0.000  0.500  0.500  1.0
  Si  Si9  1  0.000  0.500  0.000  1.0
  Si  Si10  1  0.500  0.500  0.000  1.0
  Si  Si11  1  0.000  0.000  0.500  1.0
  Ag  Ag12  1  0.250  0.750  0.750  1.0
  Ag  Ag13  1  0.750  0.750  0.250  1.0
  Ag  Ag14  1  0.250  0.250  0.250  1.0
  Ag  Ag15  1  0.750  0.250  0.750  1.0
[/CIF]
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