The structure described by LiIO3 is Corundum-derived structured and crystallizes in the hexagonal P6_322 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent I(1)O6 octahedra, edges with three equivalent I(1)O6 octahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent I(1) atoms. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, corners with six equivalent I(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.231
_cell_length_c   4.812
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   114.019
_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
  Li  Li0  1  0.000  0.000  0.250  1.0
  Li  Li1  1  0.000  0.000  0.750  1.0
  I  I2  1  0.667  0.333  0.750  1.0
  I  I3  1  0.333  0.667  0.250  1.0
  O  O4  1  0.000  0.330  0.000  1.0
  O  O5  1  0.330  0.000  0.000  1.0
  O  O6  1  0.000  0.670  0.500  1.0
  O  O7  1  0.670  0.670  0.000  1.0
  O  O8  1  0.670  0.000  0.500  1.0
  O  O9  1  0.330  0.330  0.500  1.0
[/CIF]
.
The structure described by LiIO3 is Corundum-derived structured and crystallizes in the hexagonal P6_322 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent I(1)O6 octahedra, edges with three equivalent I(1)O6 octahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent I(1) atoms. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, corners with six equivalent I(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.231
_cell_length_c   4.812
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   114.019
_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
  Li  Li0  1  0.000  0.000  0.250  1.0
  Li  Li1  1  0.000  0.000  0.750  1.0
  I  I2  1  0.667  0.333  0.750  1.0
  I  I3  1  0.333  0.667  0.250  1.0
  O  O4  1  0.000  0.330  0.000  1.0
  O  O5  1  0.330  0.000  0.000  1.0
  O  O6  1  0.000  0.670  0.500  1.0
  O  O7  1  0.670  0.670  0.000  1.0
  O  O8  1  0.670  0.000  0.500  1.0
  O  O9  1  0.330  0.330  0.500  1.0
[/CIF]
.