The material described by LiIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form LiIn12 cuboctahedra that share corners with four equivalent Li(1)In12 cuboctahedra, edges with eight equivalent Li(1)In12 cuboctahedra, edges with sixteen equivalent In(1)Li4In8 cuboctahedra, faces with four equivalent Li(1)In12 cuboctahedra, and faces with eight equivalent In(1)Li4In8 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Li(1), four equivalent In(1), and four equivalent In(2) atoms to form distorted InLi4In8 cuboctahedra that share corners with twelve equivalent In(1)Li4In8 cuboctahedra, edges with eight equivalent Li(1)In12 cuboctahedra, edges with eight equivalent In(1)Li4In8 cuboctahedra, faces with four equivalent Li(1)In12 cuboctahedra, and faces with ten equivalent In(1)Li4In8 cuboctahedra. In the second In site, In(2) is bonded in a distorted square co-planar geometry to four equivalent Li(1) and eight equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.578
_cell_length_b   5.578
_cell_length_c   5.578
_cell_angle_alpha   132.690
_cell_angle_beta   132.690
_cell_angle_gamma   69.142
_symmetry_Int_Tables_number   1
_cell_volume   92.020
_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  0.000  0.000  0.000  1.0
  In  In1  1  0.750  0.250  0.500  1.0
  In  In2  1  0.250  0.750  0.500  1.0
  In  In3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material described by LiIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form LiIn12 cuboctahedra that share corners with four equivalent Li(1)In12 cuboctahedra, edges with eight equivalent Li(1)In12 cuboctahedra, edges with sixteen equivalent In(1)Li4In8 cuboctahedra, faces with four equivalent Li(1)In12 cuboctahedra, and faces with eight equivalent In(1)Li4In8 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Li(1), four equivalent In(1), and four equivalent In(2) atoms to form distorted InLi4In8 cuboctahedra that share corners with twelve equivalent In(1)Li4In8 cuboctahedra, edges with eight equivalent Li(1)In12 cuboctahedra, edges with eight equivalent In(1)Li4In8 cuboctahedra, faces with four equivalent Li(1)In12 cuboctahedra, and faces with ten equivalent In(1)Li4In8 cuboctahedra. In the second In site, In(2) is bonded in a distorted square co-planar geometry to four equivalent Li(1) and eight equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.578
_cell_length_b   5.578
_cell_length_c   5.578
_cell_angle_alpha   132.690
_cell_angle_beta   132.690
_cell_angle_gamma   69.142
_symmetry_Int_Tables_number   1
_cell_volume   92.020
_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  0.000  0.000  0.000  1.0
  In  In1  1  0.750  0.250  0.500  1.0
  In  In2  1  0.250  0.750  0.500  1.0
  In  In3  1  0.500  0.500  0.000  1.0
[/CIF]
.