The compound described by LiInI4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one I(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms to form LiI6 octahedra that share corners with two equivalent Li(1)I6 octahedra, corners with two equivalent In(1)I4 tetrahedra,  an edgeedge with one Li(1)I6 octahedra, and edges with two equivalent In(1)I4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In(1) is bonded to one I(1), one I(2), one I(3), and one I(4) atom to form InI4 tetrahedra 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 range from 61-64°. There are four inequivalent I sites. In the first I site, I(1) is bonded in an L-shaped geometry to one Li(1) and one In(1) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one In(1) atom. In the third I site, I(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one In(1) atom. In the fourth I site, I(4) is bonded in a bent 120 degrees geometry to one Li(1) and one In(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiInI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.644
_cell_length_b   8.343
_cell_length_c   15.226
_cell_angle_alpha   87.183
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   969.810
_cell_formula_units_Z   4
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  0.011  0.857  0.377  1.0
  Li  Li1  1  0.511  0.143  0.123  1.0
  Li  Li2  1  0.989  0.143  0.623  1.0
  Li  Li3  1  0.489  0.857  0.877  1.0
  In  In4  1  0.171  0.697  0.600  1.0
  In  In5  1  0.671  0.303  0.900  1.0
  In  In6  1  0.829  0.303  0.400  1.0
  In  In7  1  0.329  0.697  0.100  1.0
  I  I8  1  0.321  0.684  0.438  1.0
  I  I9  1  0.821  0.316  0.062  1.0
  I  I10  1  0.679  0.316  0.562  1.0
  I  I11  1  0.179  0.684  0.938  1.0
  I  I12  1  0.158  0.178  0.437  1.0
  I  I13  1  0.658  0.822  0.063  1.0
  I  I14  1  0.842  0.822  0.563  1.0
  I  I15  1  0.342  0.178  0.937  1.0
  I  I16  1  0.321  0.941  0.691  1.0
  I  I17  1  0.821  0.059  0.809  1.0
  I  I18  1  0.679  0.059  0.309  1.0
  I  I19  1  0.179  0.941  0.191  1.0
  I  I20  1  0.179  0.416  0.698  1.0
  I  I21  1  0.679  0.584  0.802  1.0
  I  I22  1  0.821  0.584  0.302  1.0
  I  I23  1  0.321  0.416  0.198  1.0
[/CIF]
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The compound described by LiInI4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one I(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms to form LiI6 octahedra that share corners with two equivalent Li(1)I6 octahedra, corners with two equivalent In(1)I4 tetrahedra,  an edgeedge with one Li(1)I6 octahedra, and edges with two equivalent In(1)I4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In(1) is bonded to one I(1), one I(2), one I(3), and one I(4) atom to form InI4 tetrahedra 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 range from 61-64°. There are four inequivalent I sites. In the first I site, I(1) is bonded in an L-shaped geometry to one Li(1) and one In(1) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one In(1) atom. In the third I site, I(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one In(1) atom. In the fourth I site, I(4) is bonded in a bent 120 degrees geometry to one Li(1) and one In(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiInI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.644
_cell_length_b   8.343
_cell_length_c   15.226
_cell_angle_alpha   87.183
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   969.810
_cell_formula_units_Z   4
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  0.011  0.857  0.377  1.0
  Li  Li1  1  0.511  0.143  0.123  1.0
  Li  Li2  1  0.989  0.143  0.623  1.0
  Li  Li3  1  0.489  0.857  0.877  1.0
  In  In4  1  0.171  0.697  0.600  1.0
  In  In5  1  0.671  0.303  0.900  1.0
  In  In6  1  0.829  0.303  0.400  1.0
  In  In7  1  0.329  0.697  0.100  1.0
  I  I8  1  0.321  0.684  0.438  1.0
  I  I9  1  0.821  0.316  0.062  1.0
  I  I10  1  0.679  0.316  0.562  1.0
  I  I11  1  0.179  0.684  0.938  1.0
  I  I12  1  0.158  0.178  0.437  1.0
  I  I13  1  0.658  0.822  0.063  1.0
  I  I14  1  0.842  0.822  0.563  1.0
  I  I15  1  0.342  0.178  0.937  1.0
  I  I16  1  0.321  0.941  0.691  1.0
  I  I17  1  0.821  0.059  0.809  1.0
  I  I18  1  0.679  0.059  0.309  1.0
  I  I19  1  0.179  0.941  0.191  1.0
  I  I20  1  0.179  0.416  0.698  1.0
  I  I21  1  0.679  0.584  0.802  1.0
  I  I22  1  0.821  0.584  0.302  1.0
  I  I23  1  0.321  0.416  0.198  1.0
[/CIF]
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