The structure described by Cs2LiI3 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to two equivalent I(1), two equivalent I(3), and three equivalent I(2) atoms. In the second Cs site, Cs(2) is bonded in a body-centered cubic geometry to four equivalent I(1) and four equivalent I(3) atoms. Li(1) is bonded to one I(1), one I(3), and two equivalent I(2) atoms to form corner-sharing LiI4 tetrahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), four equivalent Cs(2), and one Li(1) atom. In the second I site, I(2) is bonded in a 2-coordinate geometry to three equivalent Cs(1) and two equivalent Li(1) atoms. In the third I site, I(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), four equivalent Cs(2), and one Li(1) atom. is represented by the CIF card [CIF]
data_Cs2LiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.763
_cell_length_b   8.776
_cell_length_c   13.269
_cell_angle_alpha   90.009
_cell_angle_beta   100.302
_cell_angle_gamma   89.983
_symmetry_Int_Tables_number   1
_cell_volume   545.632
_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
  Cs  Cs0  1  0.324  0.991  0.649  1.0
  Cs  Cs1  1  0.676  0.491  0.351  1.0
  Cs  Cs2  1  0.495  0.486  0.990  1.0
  Cs  Cs3  1  0.505  0.986  0.010  1.0
  Li  Li4  1  0.151  0.983  0.300  1.0
  Li  Li5  1  0.849  0.483  0.700  1.0
  I  I6  1  0.910  0.229  0.827  1.0
  I  I7  1  0.090  0.729  0.173  1.0
  I  I8  1  0.292  0.474  0.585  1.0
  I  I9  1  0.708  0.974  0.415  1.0
  I  I10  1  0.914  0.740  0.824  1.0
  I  I11  1  0.086  0.240  0.176  1.0
[/CIF]
.
The structure described by Cs2LiI3 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to two equivalent I(1), two equivalent I(3), and three equivalent I(2) atoms. In the second Cs site, Cs(2) is bonded in a body-centered cubic geometry to four equivalent I(1) and four equivalent I(3) atoms. Li(1) is bonded to one I(1), one I(3), and two equivalent I(2) atoms to form corner-sharing LiI4 tetrahedra. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), four equivalent Cs(2), and one Li(1) atom. In the second I site, I(2) is bonded in a 2-coordinate geometry to three equivalent Cs(1) and two equivalent Li(1) atoms. In the third I site, I(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), four equivalent Cs(2), and one Li(1) atom. is represented by the CIF card [CIF]
data_Cs2LiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.763
_cell_length_b   8.776
_cell_length_c   13.269
_cell_angle_alpha   90.009
_cell_angle_beta   100.302
_cell_angle_gamma   89.983
_symmetry_Int_Tables_number   1
_cell_volume   545.632
_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
  Cs  Cs0  1  0.324  0.991  0.649  1.0
  Cs  Cs1  1  0.676  0.491  0.351  1.0
  Cs  Cs2  1  0.495  0.486  0.990  1.0
  Cs  Cs3  1  0.505  0.986  0.010  1.0
  Li  Li4  1  0.151  0.983  0.300  1.0
  Li  Li5  1  0.849  0.483  0.700  1.0
  I  I6  1  0.910  0.229  0.827  1.0
  I  I7  1  0.090  0.729  0.173  1.0
  I  I8  1  0.292  0.474  0.585  1.0
  I  I9  1  0.708  0.974  0.415  1.0
  I  I10  1  0.914  0.740  0.824  1.0
  I  I11  1  0.086  0.240  0.176  1.0
[/CIF]
.