The structure described by CsLi2I3 crystallizes in the tetragonal P-4m2 space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. Li(1) is bonded to two equivalent I(1) and two equivalent I(2) atoms to form corner-sharing LiI4 tetrahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted water-like geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the second I site, I(2) is bonded to four equivalent Li(1) atoms to form corner-sharing ILi4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsLi2I3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.595
_cell_length_b   4.595
_cell_length_c   10.816
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.393
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.143  1.0
  Li  Li2  1  0.000  0.500  0.857  1.0
  I  I3  1  0.000  0.000  0.293  1.0
  I  I4  1  0.000  0.000  0.707  1.0
  I  I5  1  0.500  0.500  0.000  1.0
[/CIF]
.
The structure described by CsLi2I3 crystallizes in the tetragonal P-4m2 space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. Li(1) is bonded to two equivalent I(1) and two equivalent I(2) atoms to form corner-sharing LiI4 tetrahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted water-like geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the second I site, I(2) is bonded to four equivalent Li(1) atoms to form corner-sharing ILi4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsLi2I3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.595
_cell_length_b   4.595
_cell_length_c   10.816
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.393
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.143  1.0
  Li  Li2  1  0.000  0.500  0.857  1.0
  I  I3  1  0.000  0.000  0.293  1.0
  I  I4  1  0.000  0.000  0.707  1.0
  I  I5  1  0.500  0.500  0.000  1.0
[/CIF]
.