The structure described by LiUI6 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form distorted LiI6 octahedra that share corners with two equivalent U(1)I6 octahedra and edges with two equivalent U(1)I6 octahedra. The corner-sharing octahedral tilt angles are 5°. U(1) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form UI6 octahedra that share corners with two equivalent Li(1)I6 octahedra and edges with two equivalent Li(1)I6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent I sites. In the first I site, I(1) is bonded in an L-shaped geometry to one Li(1) and one U(1) atom. In the second I site, I(2) is bonded in an L-shaped geometry to one Li(1) and one U(1) atom. In the third I site, I(3) is bonded in a distorted linear geometry to one Li(1) and one U(1) atom. is represented by the CIF card [CIF]
data_LiUI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.496
_cell_length_b   7.499
_cell_length_c   7.363
_cell_angle_alpha   79.920
_cell_angle_beta   79.898
_cell_angle_gamma   118.763
_symmetry_Int_Tables_number   1
_cell_volume   340.681
_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
  Li  Li0  1  0.854  0.146  0.500  1.0
  U  U1  1  0.999  0.001  0.000  1.0
  I  I2  1  0.240  0.249  0.232  1.0
  I  I3  1  0.751  0.760  0.768  1.0
  I  I4  1  0.066  0.392  0.743  1.0
  I  I5  1  0.391  0.075  0.754  1.0
  I  I6  1  0.925  0.609  0.246  1.0
  I  I7  1  0.608  0.934  0.257  1.0
[/CIF]
.
The structure described by LiUI6 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form distorted LiI6 octahedra that share corners with two equivalent U(1)I6 octahedra and edges with two equivalent U(1)I6 octahedra. The corner-sharing octahedral tilt angles are 5°. U(1) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form UI6 octahedra that share corners with two equivalent Li(1)I6 octahedra and edges with two equivalent Li(1)I6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent I sites. In the first I site, I(1) is bonded in an L-shaped geometry to one Li(1) and one U(1) atom. In the second I site, I(2) is bonded in an L-shaped geometry to one Li(1) and one U(1) atom. In the third I site, I(3) is bonded in a distorted linear geometry to one Li(1) and one U(1) atom. is represented by the CIF card [CIF]
data_LiUI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.496
_cell_length_b   7.499
_cell_length_c   7.363
_cell_angle_alpha   79.920
_cell_angle_beta   79.898
_cell_angle_gamma   118.763
_symmetry_Int_Tables_number   1
_cell_volume   340.681
_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
  Li  Li0  1  0.854  0.146  0.500  1.0
  U  U1  1  0.999  0.001  0.000  1.0
  I  I2  1  0.240  0.249  0.232  1.0
  I  I3  1  0.751  0.760  0.768  1.0
  I  I4  1  0.066  0.392  0.743  1.0
  I  I5  1  0.391  0.075  0.754  1.0
  I  I6  1  0.925  0.609  0.246  1.0
  I  I7  1  0.608  0.934  0.257  1.0
[/CIF]
.