The material described by LiClCsCl crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), and four equivalent Cl(2) atoms. Li(1) is bonded to one Cl(1), one Cl(3), and two equivalent Cl(2) atoms to form a mixture of corner and edge-sharing LiCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsLiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.251
_cell_length_b   7.728
_cell_length_c   9.763
_cell_angle_alpha   86.582
_cell_angle_beta   82.700
_cell_angle_gamma   62.020
_symmetry_Int_Tables_number   1
_cell_volume   479.204
_cell_formula_units_Z   4
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  0.820  0.808  0.064  1.0
  Cs  Cs1  1  0.372  0.808  0.436  1.0
  Cs  Cs2  1  0.180  0.192  0.936  1.0
  Cs  Cs3  1  0.628  0.192  0.564  1.0
  Li  Li4  1  0.061  0.396  0.365  1.0
  Li  Li5  1  0.543  0.396  0.135  1.0
  Li  Li6  1  0.939  0.604  0.635  1.0
  Li  Li7  1  0.457  0.604  0.865  1.0
  Cl  Cl8  1  0.605  0.790  0.750  1.0
  Cl  Cl9  1  0.395  0.210  0.250  1.0
  Cl  Cl10  1  0.932  0.732  0.410  1.0
  Cl  Cl11  1  0.336  0.732  0.090  1.0
  Cl  Cl12  1  0.068  0.268  0.590  1.0
  Cl  Cl13  1  0.664  0.268  0.910  1.0
  Cl  Cl14  1  0.814  0.373  0.250  1.0
  Cl  Cl15  1  0.186  0.627  0.750  1.0
[/CIF]
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The material described by LiClCsCl crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), and four equivalent Cl(2) atoms. Li(1) is bonded to one Cl(1), one Cl(3), and two equivalent Cl(2) atoms to form a mixture of corner and edge-sharing LiCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsLiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.251
_cell_length_b   7.728
_cell_length_c   9.763
_cell_angle_alpha   86.582
_cell_angle_beta   82.700
_cell_angle_gamma   62.020
_symmetry_Int_Tables_number   1
_cell_volume   479.204
_cell_formula_units_Z   4
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  0.820  0.808  0.064  1.0
  Cs  Cs1  1  0.372  0.808  0.436  1.0
  Cs  Cs2  1  0.180  0.192  0.936  1.0
  Cs  Cs3  1  0.628  0.192  0.564  1.0
  Li  Li4  1  0.061  0.396  0.365  1.0
  Li  Li5  1  0.543  0.396  0.135  1.0
  Li  Li6  1  0.939  0.604  0.635  1.0
  Li  Li7  1  0.457  0.604  0.865  1.0
  Cl  Cl8  1  0.605  0.790  0.750  1.0
  Cl  Cl9  1  0.395  0.210  0.250  1.0
  Cl  Cl10  1  0.932  0.732  0.410  1.0
  Cl  Cl11  1  0.336  0.732  0.090  1.0
  Cl  Cl12  1  0.068  0.268  0.590  1.0
  Cl  Cl13  1  0.664  0.268  0.910  1.0
  Cl  Cl14  1  0.814  0.373  0.250  1.0
  Cl  Cl15  1  0.186  0.627  0.750  1.0
[/CIF]
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