The structure described by LiCuIn2Se4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Li(1) is bonded to four equivalent Se(1) atoms to form LiSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Li(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Li(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. In the second In site, In(2) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Li(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded to one Li(1), one Cu(1), one In(1), and one In(2) atom to form corner-sharing SeLiIn2Cu tetrahedra. is represented by the CIF file [CIF]
data_LiIn2CuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.256
_cell_length_b   7.256
_cell_length_c   7.256
_cell_angle_alpha   131.574
_cell_angle_beta   131.574
_cell_angle_gamma   70.903
_symmetry_Int_Tables_number   1
_cell_volume   209.375
_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  0.250  0.750  0.500  1.0
  In  In1  1  0.500  0.500  0.000  1.0
  In  In2  1  0.750  0.250  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.637  0.649  0.529  1.0
  Se  Se5  1  0.120  0.109  0.471  1.0
  Se  Se6  1  0.891  0.363  0.011  1.0
  Se  Se7  1  0.351  0.880  0.989  1.0
[/CIF]
.
The structure described by LiCuIn2Se4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Li(1) is bonded to four equivalent Se(1) atoms to form LiSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Li(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Li(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. In the second In site, In(2) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Li(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded to one Li(1), one Cu(1), one In(1), and one In(2) atom to form corner-sharing SeLiIn2Cu tetrahedra. is represented by the CIF file [CIF]
data_LiIn2CuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.256
_cell_length_b   7.256
_cell_length_c   7.256
_cell_angle_alpha   131.574
_cell_angle_beta   131.574
_cell_angle_gamma   70.903
_symmetry_Int_Tables_number   1
_cell_volume   209.375
_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  0.250  0.750  0.500  1.0
  In  In1  1  0.500  0.500  0.000  1.0
  In  In2  1  0.750  0.250  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.637  0.649  0.529  1.0
  Se  Se5  1  0.120  0.109  0.471  1.0
  Se  Se6  1  0.891  0.363  0.011  1.0
  Se  Se7  1  0.351  0.880  0.989  1.0
[/CIF]
.