The structure described by La12Fe2I17 crystallizes in the triclinic P-1 space group. There are six inequivalent La sites. In the first La site, La(1) is bonded to one Fe(1), one I(3), one I(5), one I(6), and two equivalent I(7) atoms to form a mixture of edge and corner-sharing LaFeI5 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second La site, La(2) is bonded to one Fe(1), one I(2), one I(4), one I(5), and two equivalent I(6) atoms to form a mixture of edge and corner-sharing LaFeI5 octahedra. The corner-sharing octahedral tilt angles are 5°. In the third La site, La(3) is bonded to one Fe(1), one I(1), one I(4), one I(9), and two equivalent I(2) atoms to form a mixture of edge and corner-sharing LaFeI5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth La site, La(4) is bonded in a 6-coordinate geometry to one Fe(1), one I(4), one I(5), one I(6), one I(8), and one I(9) atom. In the fifth La site, La(5) is bonded in a 6-coordinate geometry to one Fe(1), one I(2), one I(3), one I(4), one I(7), and one I(8) atom. In the sixth La site, La(6) is bonded to one Fe(1), one I(3), one I(7), one I(8), and two equivalent I(1) atoms to form a mixture of edge and corner-sharing LaFeI5 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. Fe(1) is bonded in an octahedral geometry to one La(1), one La(2), one La(3), one La(4), one La(5), and one La(6) atom. There are nine inequivalent I sites. In the first I site, I(1) is bonded in a T-shaped geometry to one La(3) and two equivalent La(6) atoms. In the second I site, I(2) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one La(5), and two equivalent La(3) atoms. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one La(1), one La(5), and one La(6) atom. In the fourth I site, I(4) is bonded in a distorted see-saw-like geometry to one La(2), one La(3), one La(4), and one La(5) atom. In the fifth I site, I(5) is bonded in a distorted T-shaped geometry to one La(1), one La(2), and one La(4) atom. In the sixth I site, I(6) is bonded in a rectangular see-saw-like geometry to one La(1), one La(4), and two equivalent La(2) atoms. In the seventh I site, I(7) is bonded in a rectangular see-saw-like geometry to one La(5), one La(6), and two equivalent La(1) atoms. In the eighth I site, I(8) is bonded in a 3-coordinate geometry to one La(4), one La(5), and one La(6) atom. In the ninth I site, I(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(3) and two equivalent La(4) atoms. is represented by the CIF file [CIF]
data_La12Fe2I17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.892
_cell_length_b   11.982
_cell_length_c   12.158
_cell_angle_alpha   73.576
_cell_angle_beta   74.841
_cell_angle_gamma   67.240
_symmetry_Int_Tables_number   1
_cell_volume   1255.628
_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  0.450  0.478  0.330  1.0
  La  La1  1  0.562  0.673  0.999  1.0
  La  La2  1  0.296  0.003  0.081  1.0
  La  La3  1  0.841  0.283  0.846  1.0
  La  La4  1  0.424  0.238  0.733  1.0
  La  La5  1  0.704  0.997  0.919  1.0
  La  La6  1  0.550  0.522  0.670  1.0
  La  La7  1  0.438  0.327  0.001  1.0
  La  La8  1  0.576  0.762  0.267  1.0
  La  La9  1  0.833  0.185  0.577  1.0
  La  La10  1  0.167  0.815  0.423  1.0
  La  La11  1  0.159  0.717  0.154  1.0
  Fe  Fe12  1  0.361  0.733  0.213  1.0
  Fe  Fe13  1  0.639  0.267  0.787  1.0
  I  I14  1  0.056  0.107  0.315  1.0
  I  I15  1  0.460  0.941  0.817  1.0
  I  I16  1  0.428  0.828  0.527  1.0
  I  I17  1  0.572  0.172  0.473  1.0
  I  I18  1  0.861  0.689  0.050  1.0
  I  I19  1  0.209  0.417  0.250  1.0
  I  I20  1  0.694  0.365  0.108  1.0
  I  I21  1  0.540  0.059  0.183  1.0
  I  I22  1  0.748  0.475  0.410  1.0
  I  I23  1  0.884  0.784  0.369  1.0
  I  I24  1  0.944  0.893  0.685  1.0
  I  I25  1  0.139  0.311  0.950  1.0
  I  I26  1  0.306  0.635  0.892  1.0
  I  I27  1  0.000  0.000  0.000  1.0
  I  I28  1  0.116  0.216  0.631  1.0
  I  I29  1  0.791  0.583  0.750  1.0
  I  I30  1  0.252  0.525  0.590  1.0
[/CIF]
.
The structure described by La12Fe2I17 crystallizes in the triclinic P-1 space group. There are six inequivalent La sites. In the first La site, La(1) is bonded to one Fe(1), one I(3), one I(5), one I(6), and two equivalent I(7) atoms to form a mixture of edge and corner-sharing LaFeI5 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second La site, La(2) is bonded to one Fe(1), one I(2), one I(4), one I(5), and two equivalent I(6) atoms to form a mixture of edge and corner-sharing LaFeI5 octahedra. The corner-sharing octahedral tilt angles are 5°. In the third La site, La(3) is bonded to one Fe(1), one I(1), one I(4), one I(9), and two equivalent I(2) atoms to form a mixture of edge and corner-sharing LaFeI5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth La site, La(4) is bonded in a 6-coordinate geometry to one Fe(1), one I(4), one I(5), one I(6), one I(8), and one I(9) atom. In the fifth La site, La(5) is bonded in a 6-coordinate geometry to one Fe(1), one I(2), one I(3), one I(4), one I(7), and one I(8) atom. In the sixth La site, La(6) is bonded to one Fe(1), one I(3), one I(7), one I(8), and two equivalent I(1) atoms to form a mixture of edge and corner-sharing LaFeI5 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. Fe(1) is bonded in an octahedral geometry to one La(1), one La(2), one La(3), one La(4), one La(5), and one La(6) atom. There are nine inequivalent I sites. In the first I site, I(1) is bonded in a T-shaped geometry to one La(3) and two equivalent La(6) atoms. In the second I site, I(2) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one La(5), and two equivalent La(3) atoms. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one La(1), one La(5), and one La(6) atom. In the fourth I site, I(4) is bonded in a distorted see-saw-like geometry to one La(2), one La(3), one La(4), and one La(5) atom. In the fifth I site, I(5) is bonded in a distorted T-shaped geometry to one La(1), one La(2), and one La(4) atom. In the sixth I site, I(6) is bonded in a rectangular see-saw-like geometry to one La(1), one La(4), and two equivalent La(2) atoms. In the seventh I site, I(7) is bonded in a rectangular see-saw-like geometry to one La(5), one La(6), and two equivalent La(1) atoms. In the eighth I site, I(8) is bonded in a 3-coordinate geometry to one La(4), one La(5), and one La(6) atom. In the ninth I site, I(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(3) and two equivalent La(4) atoms. is represented by the CIF file [CIF]
data_La12Fe2I17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.892
_cell_length_b   11.982
_cell_length_c   12.158
_cell_angle_alpha   73.576
_cell_angle_beta   74.841
_cell_angle_gamma   67.240
_symmetry_Int_Tables_number   1
_cell_volume   1255.628
_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  0.450  0.478  0.330  1.0
  La  La1  1  0.562  0.673  0.999  1.0
  La  La2  1  0.296  0.003  0.081  1.0
  La  La3  1  0.841  0.283  0.846  1.0
  La  La4  1  0.424  0.238  0.733  1.0
  La  La5  1  0.704  0.997  0.919  1.0
  La  La6  1  0.550  0.522  0.670  1.0
  La  La7  1  0.438  0.327  0.001  1.0
  La  La8  1  0.576  0.762  0.267  1.0
  La  La9  1  0.833  0.185  0.577  1.0
  La  La10  1  0.167  0.815  0.423  1.0
  La  La11  1  0.159  0.717  0.154  1.0
  Fe  Fe12  1  0.361  0.733  0.213  1.0
  Fe  Fe13  1  0.639  0.267  0.787  1.0
  I  I14  1  0.056  0.107  0.315  1.0
  I  I15  1  0.460  0.941  0.817  1.0
  I  I16  1  0.428  0.828  0.527  1.0
  I  I17  1  0.572  0.172  0.473  1.0
  I  I18  1  0.861  0.689  0.050  1.0
  I  I19  1  0.209  0.417  0.250  1.0
  I  I20  1  0.694  0.365  0.108  1.0
  I  I21  1  0.540  0.059  0.183  1.0
  I  I22  1  0.748  0.475  0.410  1.0
  I  I23  1  0.884  0.784  0.369  1.0
  I  I24  1  0.944  0.893  0.685  1.0
  I  I25  1  0.139  0.311  0.950  1.0
  I  I26  1  0.306  0.635  0.892  1.0
  I  I27  1  0.000  0.000  0.000  1.0
  I  I28  1  0.116  0.216  0.631  1.0
  I  I29  1  0.791  0.583  0.750  1.0
  I  I30  1  0.252  0.525  0.590  1.0
[/CIF]
.