The material described by LiIO3 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded to six equivalent O(1) atoms to form face-sharing LiO6 octahedra. O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one I(1) atom. I(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. is represented by the CIF card [CIF]
data_LiIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   5.452
_cell_length_c   5.091
_cell_angle_alpha   90.005
_cell_angle_beta   90.007
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   131.047
_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  0.077  1.0
  Li  Li1  1  1.000  1.000  0.577  1.0
  I  I2  1  0.667  0.333  0.505  1.0
  I  I3  1  0.333  0.667  0.005  1.0
  O  O4  1  0.753  0.660  0.336  1.0
  O  O5  1  0.246  0.340  0.836  1.0
  O  O6  1  0.094  0.754  0.836  1.0
  O  O7  1  0.340  0.094  0.336  1.0
  O  O8  1  0.660  0.906  0.836  1.0
  O  O9  1  0.906  0.246  0.336  1.0
[/CIF]
.
The material described by LiIO3 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded to six equivalent O(1) atoms to form face-sharing LiO6 octahedra. O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one I(1) atom. I(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. is represented by the CIF card [CIF]
data_LiIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   5.452
_cell_length_c   5.091
_cell_angle_alpha   90.005
_cell_angle_beta   90.007
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   131.047
_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  0.077  1.0
  Li  Li1  1  1.000  1.000  0.577  1.0
  I  I2  1  0.667  0.333  0.505  1.0
  I  I3  1  0.333  0.667  0.005  1.0
  O  O4  1  0.753  0.660  0.336  1.0
  O  O5  1  0.246  0.340  0.836  1.0
  O  O6  1  0.094  0.754  0.836  1.0
  O  O7  1  0.340  0.094  0.336  1.0
  O  O8  1  0.660  0.906  0.836  1.0
  O  O9  1  0.906  0.246  0.336  1.0
[/CIF]
.