The material structure described by Cs2LiCeI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent I(1) atoms to form CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra, faces with six equivalent Cs(1)I12 cuboctahedra, faces with four equivalent Li(1)I6 octahedra, and faces with four equivalent Ce(1)I6 octahedra. Li(1) is bonded to six equivalent I(1) atoms to form LiI6 octahedra that share corners with six equivalent Ce(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Ce(1) is bonded to six equivalent I(1) atoms to form CeI6 octahedra that share corners with six equivalent Li(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one Li(1), and one Ce(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2LiCeI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.671
_cell_length_b   8.671
_cell_length_c   8.671
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   461.049
_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  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Ce  Ce3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.745  0.255  0.255  1.0
  I  I5  1  0.255  0.255  0.745  1.0
  I  I6  1  0.255  0.745  0.745  1.0
  I  I7  1  0.255  0.745  0.255  1.0
  I  I8  1  0.745  0.255  0.745  1.0
  I  I9  1  0.745  0.745  0.255  1.0
[/CIF]
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The material structure described by Cs2LiCeI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent I(1) atoms to form CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra, faces with six equivalent Cs(1)I12 cuboctahedra, faces with four equivalent Li(1)I6 octahedra, and faces with four equivalent Ce(1)I6 octahedra. Li(1) is bonded to six equivalent I(1) atoms to form LiI6 octahedra that share corners with six equivalent Ce(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Ce(1) is bonded to six equivalent I(1) atoms to form CeI6 octahedra that share corners with six equivalent Li(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one Li(1), and one Ce(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2LiCeI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.671
_cell_length_b   8.671
_cell_length_c   8.671
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   461.049
_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  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Ce  Ce3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.745  0.255  0.255  1.0
  I  I5  1  0.255  0.255  0.745  1.0
  I  I6  1  0.255  0.745  0.745  1.0
  I  I7  1  0.255  0.745  0.255  1.0
  I  I8  1  0.745  0.255  0.745  1.0
  I  I9  1  0.745  0.745  0.255  1.0
[/CIF]
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