The material structure described by La2Ni2I crystallizes in the trigonal P-3m1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to six equivalent Ni(2) and three equivalent I(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to six equivalent Ni(1) and three equivalent I(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to six equivalent La(2) and three equivalent Ni(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Ni(2) atoms. I(1) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent La(2) atoms. is represented by the CIF card [CIF]
data_La2Ni2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.121
_cell_length_b   4.121
_cell_length_c   17.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   260.639
_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  0.104  1.0
  La  La1  1  0.000  0.000  0.896  1.0
  La  La2  1  0.000  0.000  0.604  1.0
  La  La3  1  0.000  0.000  0.396  1.0
  Ni  Ni4  1  0.333  0.667  0.501  1.0
  Ni  Ni5  1  0.667  0.333  0.499  1.0
  Ni  Ni6  1  0.667  0.333  0.001  1.0
  Ni  Ni7  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]
.
The material structure described by La2Ni2I crystallizes in the trigonal P-3m1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to six equivalent Ni(2) and three equivalent I(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to six equivalent Ni(1) and three equivalent I(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to six equivalent La(2) and three equivalent Ni(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Ni(2) atoms. I(1) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent La(2) atoms. is represented by the CIF card [CIF]
data_La2Ni2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.121
_cell_length_b   4.121
_cell_length_c   17.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   260.639
_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  0.104  1.0
  La  La1  1  0.000  0.000  0.896  1.0
  La  La2  1  0.000  0.000  0.604  1.0
  La  La3  1  0.000  0.000  0.396  1.0
  Ni  Ni4  1  0.333  0.667  0.501  1.0
  Ni  Ni5  1  0.667  0.333  0.499  1.0
  Ni  Ni6  1  0.667  0.333  0.001  1.0
  Ni  Ni7  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]
.