The crystal structure described by LiIn(IO3)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share edges with two equivalent In(1)O6 octahedra. In(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form InO6 octahedra that share edges with two equivalent Li(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one I(2) and two equivalent I(1) atoms. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one In(1) and one I(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1) and one I(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one In(1), and one I(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one In(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(5), and two equivalent O(2) atoms. In the second I site, I(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. is represented by the CIF card [CIF]
data_LiIn(IO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   6.592
_cell_length_c   8.696
_cell_angle_alpha   84.870
_cell_angle_beta   89.193
_cell_angle_gamma   89.327
_symmetry_Int_Tables_number   1
_cell_volume   284.181
_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  0.500  0.000  0.500  1.0
  In  In1  1  0.500  0.500  0.500  1.0
  I  I2  1  0.520  0.805  0.156  1.0
  I  I3  1  0.010  0.283  0.239  1.0
  I  I4  1  0.990  0.717  0.761  1.0
  I  I5  1  0.480  0.195  0.844  1.0
  O  O6  1  0.744  0.624  0.071  1.0
  O  O7  1  0.710  0.040  0.102  1.0
  O  O8  1  0.225  0.488  0.306  1.0
  O  O9  1  0.218  0.065  0.306  1.0
  O  O10  1  0.643  0.767  0.362  1.0
  O  O11  1  0.758  0.269  0.398  1.0
  O  O12  1  0.242  0.731  0.602  1.0
  O  O13  1  0.357  0.233  0.638  1.0
  O  O14  1  0.782  0.935  0.694  1.0
  O  O15  1  0.775  0.512  0.694  1.0
  O  O16  1  0.290  0.960  0.898  1.0
  O  O17  1  0.256  0.376  0.929  1.0
[/CIF]
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The crystal structure described by LiIn(IO3)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share edges with two equivalent In(1)O6 octahedra. In(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form InO6 octahedra that share edges with two equivalent Li(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one I(2) and two equivalent I(1) atoms. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one In(1) and one I(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1) and one I(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one In(1), and one I(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one In(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(5), and two equivalent O(2) atoms. In the second I site, I(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. is represented by the CIF card [CIF]
data_LiIn(IO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   6.592
_cell_length_c   8.696
_cell_angle_alpha   84.870
_cell_angle_beta   89.193
_cell_angle_gamma   89.327
_symmetry_Int_Tables_number   1
_cell_volume   284.181
_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  0.500  0.000  0.500  1.0
  In  In1  1  0.500  0.500  0.500  1.0
  I  I2  1  0.520  0.805  0.156  1.0
  I  I3  1  0.010  0.283  0.239  1.0
  I  I4  1  0.990  0.717  0.761  1.0
  I  I5  1  0.480  0.195  0.844  1.0
  O  O6  1  0.744  0.624  0.071  1.0
  O  O7  1  0.710  0.040  0.102  1.0
  O  O8  1  0.225  0.488  0.306  1.0
  O  O9  1  0.218  0.065  0.306  1.0
  O  O10  1  0.643  0.767  0.362  1.0
  O  O11  1  0.758  0.269  0.398  1.0
  O  O12  1  0.242  0.731  0.602  1.0
  O  O13  1  0.357  0.233  0.638  1.0
  O  O14  1  0.782  0.935  0.694  1.0
  O  O15  1  0.775  0.512  0.694  1.0
  O  O16  1  0.290  0.960  0.898  1.0
  O  O17  1  0.256  0.376  0.929  1.0
[/CIF]
.