The crystal structure described by La5C2I9 crystallizes in the triclinic P-1 space group. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one C(1), one C(2), one I(2), one I(3), one I(4), one I(5), one I(6), one I(8), and one I(9) atom. In the second La site, La(2) is bonded in a 7-coordinate geometry to one C(2), one I(1), one I(5), one I(6), one I(8), and two equivalent I(3) atoms. In the third La site, La(3) is bonded to one C(1), one C(2), one I(4), one I(7), two equivalent I(6), and two equivalent I(9) atoms to form distorted edge-sharing LaC2I6 hexagonal bipyramids. In the fourth La site, La(4) is bonded in a distorted single-bond geometry to one C(1), one I(1), one I(2), one I(4), one I(8), one I(9), and two equivalent I(7) atoms. In the fifth La site, La(5) is bonded in a 8-coordinate geometry to one C(1), one C(2), one I(1), one I(3), one I(4), one I(5), and two equivalent I(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(4), one La(5), and one C(2) atom. In the second C site, C(2) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one La(5), and one C(1) atom. There are nine inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one La(2), one La(4), and one La(5) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one La(1), one La(4), and two equivalent La(5) atoms. In the third I site, I(3) is bonded in a 4-coordinate geometry to one La(1), one La(5), and two equivalent La(2) atoms. In the fourth I site, I(4) is bonded to one La(1), one La(3), one La(4), and one La(5) atom to form a mixture of distorted edge and corner-sharing ILa4 tetrahedra. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one La(5) atom. In the sixth I site, I(6) is bonded to one La(1), one La(2), and two equivalent La(3) atoms to form a mixture of distorted edge and corner-sharing ILa4 tetrahedra. In the seventh I site, I(7) is bonded in a 3-coordinate geometry to one La(3) and two equivalent La(4) atoms. In the eighth I site, I(8) is bonded in a 3-coordinate geometry to one La(1), one La(2), and one La(4) atom. In the ninth I site, I(9) is bonded in a 4-coordinate geometry to one La(1), one La(4), and two equivalent La(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5C2I9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.148
_cell_length_b   10.249
_cell_length_c   14.567
_cell_angle_alpha   79.460
_cell_angle_beta   80.614
_cell_angle_gamma   85.265
_symmetry_Int_Tables_number   1
_cell_volume   1178.183
_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  0.779  0.364  0.262  1.0
  La  La1  1  0.159  0.531  0.303  1.0
  La  La2  1  0.237  0.339  0.081  1.0
  La  La3  1  0.950  0.036  0.175  1.0
  La  La4  1  0.824  0.854  0.640  1.0
  La  La5  1  0.221  0.636  0.738  1.0
  La  La6  1  0.763  0.661  0.919  1.0
  La  La7  1  0.176  0.146  0.360  1.0
  La  La8  1  0.841  0.469  0.697  1.0
  La  La9  1  0.050  0.964  0.825  1.0
  C  C10  1  0.959  0.776  0.783  1.0
  C  C11  1  0.093  0.346  0.242  1.0
  C  C12  1  0.907  0.654  0.758  1.0
  C  C13  1  0.041  0.224  0.217  1.0
  I  I14  1  0.250  0.861  0.272  1.0
  I  I15  1  0.800  0.007  0.413  1.0
  I  I16  1  0.905  0.350  0.474  1.0
  I  I17  1  0.461  0.846  0.801  1.0
  I  I18  1  0.576  0.650  0.577  1.0
  I  I19  1  0.506  0.446  0.865  1.0
  I  I20  1  0.200  0.993  0.587  1.0
  I  I21  1  0.751  0.941  0.002  1.0
  I  I22  1  0.192  0.318  0.728  1.0
  I  I23  1  0.095  0.650  0.526  1.0
  I  I24  1  0.808  0.682  0.272  1.0
  I  I25  1  0.424  0.350  0.423  1.0
  I  I26  1  0.249  0.059  0.998  1.0
  I  I27  1  0.494  0.554  0.135  1.0
  I  I28  1  0.119  0.657  0.999  1.0
  I  I29  1  0.881  0.343  0.001  1.0
  I  I30  1  0.539  0.154  0.199  1.0
  I  I31  1  0.750  0.139  0.728  1.0
[/CIF]
.
The crystal structure described by La5C2I9 crystallizes in the triclinic P-1 space group. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one C(1), one C(2), one I(2), one I(3), one I(4), one I(5), one I(6), one I(8), and one I(9) atom. In the second La site, La(2) is bonded in a 7-coordinate geometry to one C(2), one I(1), one I(5), one I(6), one I(8), and two equivalent I(3) atoms. In the third La site, La(3) is bonded to one C(1), one C(2), one I(4), one I(7), two equivalent I(6), and two equivalent I(9) atoms to form distorted edge-sharing LaC2I6 hexagonal bipyramids. In the fourth La site, La(4) is bonded in a distorted single-bond geometry to one C(1), one I(1), one I(2), one I(4), one I(8), one I(9), and two equivalent I(7) atoms. In the fifth La site, La(5) is bonded in a 8-coordinate geometry to one C(1), one C(2), one I(1), one I(3), one I(4), one I(5), and two equivalent I(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(4), one La(5), and one C(2) atom. In the second C site, C(2) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one La(5), and one C(1) atom. There are nine inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one La(2), one La(4), and one La(5) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one La(1), one La(4), and two equivalent La(5) atoms. In the third I site, I(3) is bonded in a 4-coordinate geometry to one La(1), one La(5), and two equivalent La(2) atoms. In the fourth I site, I(4) is bonded to one La(1), one La(3), one La(4), and one La(5) atom to form a mixture of distorted edge and corner-sharing ILa4 tetrahedra. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one La(5) atom. In the sixth I site, I(6) is bonded to one La(1), one La(2), and two equivalent La(3) atoms to form a mixture of distorted edge and corner-sharing ILa4 tetrahedra. In the seventh I site, I(7) is bonded in a 3-coordinate geometry to one La(3) and two equivalent La(4) atoms. In the eighth I site, I(8) is bonded in a 3-coordinate geometry to one La(1), one La(2), and one La(4) atom. In the ninth I site, I(9) is bonded in a 4-coordinate geometry to one La(1), one La(4), and two equivalent La(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5C2I9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.148
_cell_length_b   10.249
_cell_length_c   14.567
_cell_angle_alpha   79.460
_cell_angle_beta   80.614
_cell_angle_gamma   85.265
_symmetry_Int_Tables_number   1
_cell_volume   1178.183
_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  0.779  0.364  0.262  1.0
  La  La1  1  0.159  0.531  0.303  1.0
  La  La2  1  0.237  0.339  0.081  1.0
  La  La3  1  0.950  0.036  0.175  1.0
  La  La4  1  0.824  0.854  0.640  1.0
  La  La5  1  0.221  0.636  0.738  1.0
  La  La6  1  0.763  0.661  0.919  1.0
  La  La7  1  0.176  0.146  0.360  1.0
  La  La8  1  0.841  0.469  0.697  1.0
  La  La9  1  0.050  0.964  0.825  1.0
  C  C10  1  0.959  0.776  0.783  1.0
  C  C11  1  0.093  0.346  0.242  1.0
  C  C12  1  0.907  0.654  0.758  1.0
  C  C13  1  0.041  0.224  0.217  1.0
  I  I14  1  0.250  0.861  0.272  1.0
  I  I15  1  0.800  0.007  0.413  1.0
  I  I16  1  0.905  0.350  0.474  1.0
  I  I17  1  0.461  0.846  0.801  1.0
  I  I18  1  0.576  0.650  0.577  1.0
  I  I19  1  0.506  0.446  0.865  1.0
  I  I20  1  0.200  0.993  0.587  1.0
  I  I21  1  0.751  0.941  0.002  1.0
  I  I22  1  0.192  0.318  0.728  1.0
  I  I23  1  0.095  0.650  0.526  1.0
  I  I24  1  0.808  0.682  0.272  1.0
  I  I25  1  0.424  0.350  0.423  1.0
  I  I26  1  0.249  0.059  0.998  1.0
  I  I27  1  0.494  0.554  0.135  1.0
  I  I28  1  0.119  0.657  0.999  1.0
  I  I29  1  0.881  0.343  0.001  1.0
  I  I30  1  0.539  0.154  0.199  1.0
  I  I31  1  0.750  0.139  0.728  1.0
[/CIF]
.