The material structure described by La2Cu2I crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 9-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), and three equivalent I(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Cu(1) atoms. I(1) is bonded in a 6-coordinate geometry to six equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La2Cu2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.287
_cell_length_b   4.287
_cell_length_c   8.676
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   138.124
_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
  La  La0  1  0.333  0.667  0.205  1.0
  La  La1  1  0.333  0.667  0.795  1.0
  Cu  Cu2  1  0.667  0.333  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.000  0.000  0.500  1.0
[/CIF]
.
The material structure described by La2Cu2I crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 9-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), and three equivalent I(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Cu(1) atoms. I(1) is bonded in a 6-coordinate geometry to six equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La2Cu2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.287
_cell_length_b   4.287
_cell_length_c   8.676
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   138.124
_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
  La  La0  1  0.333  0.667  0.205  1.0
  La  La1  1  0.333  0.667  0.795  1.0
  Cu  Cu2  1  0.667  0.333  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.000  0.000  0.500  1.0
[/CIF]
.