The crystal structure described by LiIO3 crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded in a distorted body-centered cubic geometry to two equivalent Li(1) and six equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent I(1) atoms. I(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. is represented by the CIF card [CIF]
data_LiIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.699
_cell_length_b   5.699
_cell_length_c   3.543
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   99.653
_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  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  I  I2  1  0.667  0.333  0.250  1.0
  I  I3  1  0.333  0.667  0.750  1.0
  O  O4  1  0.812  0.625  0.750  1.0
  O  O5  1  0.375  0.188  0.750  1.0
  O  O6  1  0.812  0.188  0.750  1.0
  O  O7  1  0.188  0.375  0.250  1.0
  O  O8  1  0.625  0.812  0.250  1.0
  O  O9  1  0.188  0.812  0.250  1.0
[/CIF]
.
The crystal structure described by LiIO3 crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded in a distorted body-centered cubic geometry to two equivalent Li(1) and six equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent I(1) atoms. I(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. is represented by the CIF card [CIF]
data_LiIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.699
_cell_length_b   5.699
_cell_length_c   3.543
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   99.653
_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  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  I  I2  1  0.667  0.333  0.250  1.0
  I  I3  1  0.333  0.667  0.750  1.0
  O  O4  1  0.812  0.625  0.750  1.0
  O  O5  1  0.375  0.188  0.750  1.0
  O  O6  1  0.812  0.188  0.750  1.0
  O  O7  1  0.188  0.375  0.250  1.0
  O  O8  1  0.625  0.812  0.250  1.0
  O  O9  1  0.188  0.812  0.250  1.0
[/CIF]
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