The crystal structure described by Cs3Li2I5 crystallizes in the monoclinic C2/m space group. There are three 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(4), and three equivalent I(5) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one I(4), one I(5), two equivalent I(3), and four equivalent I(2) atoms. In the third Cs site, Cs(3) is bonded in a body-centered cubic geometry to two equivalent I(1), two equivalent I(2), and four equivalent I(3) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one I(1), one I(3), and two equivalent I(4) atoms to form corner-sharing LiI4 tetrahedra. In the second Li site, Li(2) is bonded to one I(1), one I(2), and two equivalent I(5) atoms to form corner-sharing LiI4 tetrahedra. There are five inequivalent I sites. In the first I site, I(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Cs(3), one Li(1), and one Li(2) atom. In the second I site, I(2) is bonded in a distorted single-bond geometry to two equivalent Cs(3), four equivalent Cs(2), and one Li(2) atom. In the third I site, I(3) is bonded in a distorted single-bond geometry to two equivalent Cs(2), four equivalent Cs(3), and one Li(1) atom. In the fourth I site, I(4) is bonded in a distorted bent 120 degrees geometry to one Cs(2), two equivalent Cs(1), and two equivalent Li(1) atoms. In the fifth I site, I(5) is bonded in a distorted bent 120 degrees geometry to one Cs(2), three equivalent Cs(1), and two equivalent Li(2) atoms. is represented by the CIF card [CIF]
data_Cs3Li2I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.465
_cell_length_b   15.465
_cell_length_c   12.284
_cell_angle_alpha   79.129
_cell_angle_beta   79.129
_cell_angle_gamma   17.932
_symmetry_Int_Tables_number   1
_cell_volume   887.956
_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  0.745  0.745  0.260  1.0
  Cs  Cs1  1  0.067  0.067  0.345  1.0
  Cs  Cs2  1  0.944  0.944  0.154  1.0
  Cs  Cs3  1  0.056  0.056  0.846  1.0
  Cs  Cs4  1  0.933  0.933  0.655  1.0
  Cs  Cs5  1  0.255  0.255  0.740  1.0
  Li  Li6  1  0.356  0.356  0.968  1.0
  Li  Li7  1  0.644  0.644  0.032  1.0
  Li  Li8  1  0.358  0.358  0.414  1.0
  Li  Li9  1  0.642  0.642  0.586  1.0
  I  I10  1  0.657  0.657  0.802  1.0
  I  I11  1  0.343  0.343  0.198  1.0
  I  I12  1  0.552  0.552  0.596  1.0
  I  I13  1  0.447  0.447  0.896  1.0
  I  I14  1  0.178  0.178  0.099  1.0
  I  I15  1  0.178  0.178  0.487  1.0
  I  I16  1  0.822  0.822  0.901  1.0
  I  I17  1  0.822  0.822  0.513  1.0
  I  I18  1  0.553  0.553  0.104  1.0
  I  I19  1  0.448  0.448  0.404  1.0
[/CIF]
.
The crystal structure described by Cs3Li2I5 crystallizes in the monoclinic C2/m space group. There are three 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(4), and three equivalent I(5) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one I(4), one I(5), two equivalent I(3), and four equivalent I(2) atoms. In the third Cs site, Cs(3) is bonded in a body-centered cubic geometry to two equivalent I(1), two equivalent I(2), and four equivalent I(3) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one I(1), one I(3), and two equivalent I(4) atoms to form corner-sharing LiI4 tetrahedra. In the second Li site, Li(2) is bonded to one I(1), one I(2), and two equivalent I(5) atoms to form corner-sharing LiI4 tetrahedra. There are five inequivalent I sites. In the first I site, I(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Cs(3), one Li(1), and one Li(2) atom. In the second I site, I(2) is bonded in a distorted single-bond geometry to two equivalent Cs(3), four equivalent Cs(2), and one Li(2) atom. In the third I site, I(3) is bonded in a distorted single-bond geometry to two equivalent Cs(2), four equivalent Cs(3), and one Li(1) atom. In the fourth I site, I(4) is bonded in a distorted bent 120 degrees geometry to one Cs(2), two equivalent Cs(1), and two equivalent Li(1) atoms. In the fifth I site, I(5) is bonded in a distorted bent 120 degrees geometry to one Cs(2), three equivalent Cs(1), and two equivalent Li(2) atoms. is represented by the CIF card [CIF]
data_Cs3Li2I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.465
_cell_length_b   15.465
_cell_length_c   12.284
_cell_angle_alpha   79.129
_cell_angle_beta   79.129
_cell_angle_gamma   17.932
_symmetry_Int_Tables_number   1
_cell_volume   887.956
_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  0.745  0.745  0.260  1.0
  Cs  Cs1  1  0.067  0.067  0.345  1.0
  Cs  Cs2  1  0.944  0.944  0.154  1.0
  Cs  Cs3  1  0.056  0.056  0.846  1.0
  Cs  Cs4  1  0.933  0.933  0.655  1.0
  Cs  Cs5  1  0.255  0.255  0.740  1.0
  Li  Li6  1  0.356  0.356  0.968  1.0
  Li  Li7  1  0.644  0.644  0.032  1.0
  Li  Li8  1  0.358  0.358  0.414  1.0
  Li  Li9  1  0.642  0.642  0.586  1.0
  I  I10  1  0.657  0.657  0.802  1.0
  I  I11  1  0.343  0.343  0.198  1.0
  I  I12  1  0.552  0.552  0.596  1.0
  I  I13  1  0.447  0.447  0.896  1.0
  I  I14  1  0.178  0.178  0.099  1.0
  I  I15  1  0.178  0.178  0.487  1.0
  I  I16  1  0.822  0.822  0.901  1.0
  I  I17  1  0.822  0.822  0.513  1.0
  I  I18  1  0.553  0.553  0.104  1.0
  I  I19  1  0.448  0.448  0.404  1.0
[/CIF]
.