The crystal structure described by LiScI3 is Ilmenite-like structured and crystallizes in the hexagonal P-6c2 space group. Li(1) is bonded to six equivalent I(1) atoms to form LiI6 octahedra that share corners with six equivalent Sc(1)I6 octahedra, edges with three equivalent Sc(1)I6 octahedra, and faces with two equivalent Li(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. Sc(1) is bonded to six equivalent I(1) atoms to form ScI6 octahedra that share corners with six equivalent Li(1)I6 octahedra, edges with three equivalent Li(1)I6 octahedra, and faces with two equivalent Sc(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. I(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Sc(1) atoms. is represented by the CIF file [CIF]
data_LiScI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.486
_cell_length_b   7.486
_cell_length_c   6.704
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   325.355
_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
  Sc  Sc2  1  0.667  0.333  0.000  1.0
  Sc  Sc3  1  0.667  0.333  0.500  1.0
  I  I4  1  0.336  0.006  0.750  1.0
  I  I5  1  0.670  0.664  0.750  1.0
  I  I6  1  0.994  0.330  0.750  1.0
  I  I7  1  0.994  0.664  0.250  1.0
  I  I8  1  0.336  0.330  0.250  1.0
  I  I9  1  0.670  0.006  0.250  1.0
[/CIF]
.
The crystal structure described by LiScI3 is Ilmenite-like structured and crystallizes in the hexagonal P-6c2 space group. Li(1) is bonded to six equivalent I(1) atoms to form LiI6 octahedra that share corners with six equivalent Sc(1)I6 octahedra, edges with three equivalent Sc(1)I6 octahedra, and faces with two equivalent Li(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. Sc(1) is bonded to six equivalent I(1) atoms to form ScI6 octahedra that share corners with six equivalent Li(1)I6 octahedra, edges with three equivalent Li(1)I6 octahedra, and faces with two equivalent Sc(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. I(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Sc(1) atoms. is represented by the CIF file [CIF]
data_LiScI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.486
_cell_length_b   7.486
_cell_length_c   6.704
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   325.355
_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
  Sc  Sc2  1  0.667  0.333  0.000  1.0
  Sc  Sc3  1  0.667  0.333  0.500  1.0
  I  I4  1  0.336  0.006  0.750  1.0
  I  I5  1  0.670  0.664  0.750  1.0
  I  I6  1  0.994  0.330  0.750  1.0
  I  I7  1  0.994  0.664  0.250  1.0
  I  I8  1  0.336  0.330  0.250  1.0
  I  I9  1  0.670  0.006  0.250  1.0
[/CIF]
.