The material structure described by Cs3Li2Cl5 crystallizes in the monoclinic Cm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a body-centered cubic geometry to two equivalent Cl(1), two equivalent Cl(3), and four equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a body-centered cubic geometry to four equivalent Cl(2) and four equivalent Cl(3) atoms. Li(1) is bonded to one Cl(2) and three equivalent Cl(1) atoms to form corner-sharing LiCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs(1) and three 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. In the third Cl site, Cl(3) is bonded in a body-centered cubic geometry to four equivalent Cs(1) and four equivalent Cs(2) atoms. is represented by the CIF file [CIF]
data_Cs3Li2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.812
_cell_length_b   12.812
_cell_length_c   4.244
_cell_angle_alpha   80.473
_cell_angle_beta   80.473
_cell_angle_gamma   147.146
_symmetry_Int_Tables_number   1
_cell_volume   306.405
_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  0.633  0.384  0.750  1.0
  Cs  Cs1  1  0.384  0.633  0.750  1.0
  Cs  Cs2  1  0.002  0.002  0.267  1.0
  Li  Li3  1  0.832  0.267  0.703  1.0
  Li  Li4  1  0.267  0.832  0.703  1.0
  Cl  Cl5  1  0.687  0.208  0.305  1.0
  Cl  Cl6  1  0.884  0.128  0.748  1.0
  Cl  Cl7  1  0.208  0.687  0.305  1.0
  Cl  Cl8  1  0.128  0.884  0.748  1.0
  Cl  Cl9  1  0.504  0.504  0.252  1.0
[/CIF]
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The material structure described by Cs3Li2Cl5 crystallizes in the monoclinic Cm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a body-centered cubic geometry to two equivalent Cl(1), two equivalent Cl(3), and four equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a body-centered cubic geometry to four equivalent Cl(2) and four equivalent Cl(3) atoms. Li(1) is bonded to one Cl(2) and three equivalent Cl(1) atoms to form corner-sharing LiCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs(1) and three 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. In the third Cl site, Cl(3) is bonded in a body-centered cubic geometry to four equivalent Cs(1) and four equivalent Cs(2) atoms. is represented by the CIF file [CIF]
data_Cs3Li2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.812
_cell_length_b   12.812
_cell_length_c   4.244
_cell_angle_alpha   80.473
_cell_angle_beta   80.473
_cell_angle_gamma   147.146
_symmetry_Int_Tables_number   1
_cell_volume   306.405
_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  0.633  0.384  0.750  1.0
  Cs  Cs1  1  0.384  0.633  0.750  1.0
  Cs  Cs2  1  0.002  0.002  0.267  1.0
  Li  Li3  1  0.832  0.267  0.703  1.0
  Li  Li4  1  0.267  0.832  0.703  1.0
  Cl  Cl5  1  0.687  0.208  0.305  1.0
  Cl  Cl6  1  0.884  0.128  0.748  1.0
  Cl  Cl7  1  0.208  0.687  0.305  1.0
  Cl  Cl8  1  0.128  0.884  0.748  1.0
  Cl  Cl9  1  0.504  0.504  0.252  1.0
[/CIF]
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