The material structure described by Cs3LiCl4 crystallizes in the orthorhombic Amm2 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 Cl(1), two equivalent Cl(3), and three equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to three equivalent Cl(1) and four equivalent Cl(2) atoms. Li(1) is bonded to two equivalent Cl(2) and two equivalent Cl(3) atoms to form corner-sharing LiCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 7-coordinate geometry to three equivalent Cs(2) and four equivalent Cs(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one Li(1) atom. In the third Cl site, Cl(3) is bonded in a 6-coordinate geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. is represented by the CIF card [CIF]
data_Cs3LiCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.891
_cell_length_b   6.891
_cell_length_c   10.134
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.117
_symmetry_Int_Tables_number   1
_cell_volume   288.825
_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  0.677  0.323  0.770  1.0
  Cs  Cs1  1  0.906  0.094  0.500  1.0
  Cs  Cs2  1  0.677  0.323  0.230  1.0
  Li  Li3  1  0.457  0.543  0.000  1.0
  Cl  Cl4  1  0.170  0.830  0.500  1.0
  Cl  Cl5  1  0.392  0.608  0.780  1.0
  Cl  Cl6  1  0.067  0.933  0.000  1.0
  Cl  Cl7  1  0.392  0.608  0.220  1.0
[/CIF]
.
The material structure described by Cs3LiCl4 crystallizes in the orthorhombic Amm2 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 Cl(1), two equivalent Cl(3), and three equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to three equivalent Cl(1) and four equivalent Cl(2) atoms. Li(1) is bonded to two equivalent Cl(2) and two equivalent Cl(3) atoms to form corner-sharing LiCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 7-coordinate geometry to three equivalent Cs(2) and four equivalent Cs(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one Li(1) atom. In the third Cl site, Cl(3) is bonded in a 6-coordinate geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. is represented by the CIF card [CIF]
data_Cs3LiCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.891
_cell_length_b   6.891
_cell_length_c   10.134
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.117
_symmetry_Int_Tables_number   1
_cell_volume   288.825
_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  0.677  0.323  0.770  1.0
  Cs  Cs1  1  0.906  0.094  0.500  1.0
  Cs  Cs2  1  0.677  0.323  0.230  1.0
  Li  Li3  1  0.457  0.543  0.000  1.0
  Cl  Cl4  1  0.170  0.830  0.500  1.0
  Cl  Cl5  1  0.392  0.608  0.780  1.0
  Cl  Cl6  1  0.067  0.933  0.000  1.0
  Cl  Cl7  1  0.392  0.608  0.220  1.0
[/CIF]
.