The material described by La2Cu2I crystallizes in the hexagonal P6_3/mmc space group. La(1) is bonded in a 9-coordinate geometry to six equivalent Cu(1) and three equivalent I(1) atoms. Cu(1) 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 Crystallographic Information File (CIF) [CIF]
data_La2Cu2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.295
_cell_length_b   4.295
_cell_length_c   17.335
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   276.944
_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
  La  La0  1  0.000  0.000  0.103  1.0
  La  La1  1  0.000  0.000  0.897  1.0
  La  La2  1  0.000  0.000  0.603  1.0
  La  La3  1  0.000  0.000  0.397  1.0
  Cu  Cu4  1  0.333  0.667  0.501  1.0
  Cu  Cu5  1  0.667  0.333  0.499  1.0
  Cu  Cu6  1  0.667  0.333  0.001  1.0
  Cu  Cu7  1  0.333  0.667  0.999  1.0
  I  I8  1  0.333  0.667  0.250  1.0
  I  I9  1  0.667  0.333  0.750  1.0
[/CIF]
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The material described by La2Cu2I crystallizes in the hexagonal P6_3/mmc space group. La(1) is bonded in a 9-coordinate geometry to six equivalent Cu(1) and three equivalent I(1) atoms. Cu(1) 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 Crystallographic Information File (CIF) [CIF]
data_La2Cu2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.295
_cell_length_b   4.295
_cell_length_c   17.335
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   276.944
_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
  La  La0  1  0.000  0.000  0.103  1.0
  La  La1  1  0.000  0.000  0.897  1.0
  La  La2  1  0.000  0.000  0.603  1.0
  La  La3  1  0.000  0.000  0.397  1.0
  Cu  Cu4  1  0.333  0.667  0.501  1.0
  Cu  Cu5  1  0.667  0.333  0.499  1.0
  Cu  Cu6  1  0.667  0.333  0.001  1.0
  Cu  Cu7  1  0.333  0.667  0.999  1.0
  I  I8  1  0.333  0.667  0.250  1.0
  I  I9  1  0.667  0.333  0.750  1.0
[/CIF]
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