The structure described by La2Al2I crystallizes in the hexagonal P6_3/mmc space group. La(1) is bonded in a 9-coordinate geometry to six equivalent Al(1) and three equivalent I(1) atoms. Al(1) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Al(1) atoms. I(1) is bonded to six equivalent La(1) atoms to form distorted edge-sharing ILa6 pentagonal pyramids. is represented by the CIF card [CIF]
data_La2Al2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.396
_cell_length_b   4.396
_cell_length_c   17.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   297.644
_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  0.382  1.0
  La  La1  1  0.000  0.000  0.882  1.0
  La  La2  1  0.000  0.000  0.618  1.0
  La  La3  1  0.000  0.000  0.118  1.0
  Al  Al4  1  0.667  0.333  0.493  1.0
  Al  Al5  1  0.333  0.667  0.993  1.0
  Al  Al6  1  0.333  0.667  0.507  1.0
  Al  Al7  1  0.667  0.333  0.007  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]
.
The structure described by La2Al2I crystallizes in the hexagonal P6_3/mmc space group. La(1) is bonded in a 9-coordinate geometry to six equivalent Al(1) and three equivalent I(1) atoms. Al(1) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Al(1) atoms. I(1) is bonded to six equivalent La(1) atoms to form distorted edge-sharing ILa6 pentagonal pyramids. is represented by the CIF card [CIF]
data_La2Al2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.396
_cell_length_b   4.396
_cell_length_c   17.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   297.644
_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  0.382  1.0
  La  La1  1  0.000  0.000  0.882  1.0
  La  La2  1  0.000  0.000  0.618  1.0
  La  La3  1  0.000  0.000  0.118  1.0
  Al  Al4  1  0.667  0.333  0.493  1.0
  Al  Al5  1  0.333  0.667  0.993  1.0
  Al  Al6  1  0.333  0.667  0.507  1.0
  Al  Al7  1  0.667  0.333  0.007  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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