The crystal structure described by Cs2LiCl3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a body-centered cubic geometry to eight equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. Li(1) is bonded to two equivalent Cl(1) and two equivalent Cl(2) atoms to form corner-sharing LiCl4 tetrahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Cs(2) and two equivalent Li(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(2), four equivalent Cs(1), and one Li(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2LiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.924
_cell_length_b   11.924
_cell_length_c   7.890
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   159.352
_symmetry_Int_Tables_number   1
_cell_volume   395.542
_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  0.997  0.003  0.250  1.0
  Cs  Cs1  1  0.822  0.178  0.750  1.0
  Cs  Cs2  1  0.178  0.822  0.250  1.0
  Cs  Cs3  1  0.003  0.997  0.750  1.0
  Li  Li4  1  0.352  0.648  0.250  1.0
  Li  Li5  1  0.648  0.352  0.750  1.0
  Cl  Cl6  1  0.202  0.798  0.750  1.0
  Cl  Cl7  1  0.798  0.202  0.250  1.0
  Cl  Cl8  1  0.411  0.589  0.002  1.0
  Cl  Cl9  1  0.589  0.411  0.998  1.0
  Cl  Cl10  1  0.411  0.589  0.498  1.0
  Cl  Cl11  1  0.589  0.411  0.502  1.0
[/CIF]
.
The crystal structure described by Cs2LiCl3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a body-centered cubic geometry to eight equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. Li(1) is bonded to two equivalent Cl(1) and two equivalent Cl(2) atoms to form corner-sharing LiCl4 tetrahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Cs(2) and two equivalent Li(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(2), four equivalent Cs(1), and one Li(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2LiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.924
_cell_length_b   11.924
_cell_length_c   7.890
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   159.352
_symmetry_Int_Tables_number   1
_cell_volume   395.542
_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  0.997  0.003  0.250  1.0
  Cs  Cs1  1  0.822  0.178  0.750  1.0
  Cs  Cs2  1  0.178  0.822  0.250  1.0
  Cs  Cs3  1  0.003  0.997  0.750  1.0
  Li  Li4  1  0.352  0.648  0.250  1.0
  Li  Li5  1  0.648  0.352  0.750  1.0
  Cl  Cl6  1  0.202  0.798  0.750  1.0
  Cl  Cl7  1  0.798  0.202  0.250  1.0
  Cl  Cl8  1  0.411  0.589  0.002  1.0
  Cl  Cl9  1  0.589  0.411  0.998  1.0
  Cl  Cl10  1  0.411  0.589  0.498  1.0
  Cl  Cl11  1  0.589  0.411  0.502  1.0
[/CIF]
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