The compound described by La3PbI3 crystallizes in the cubic I4_132 space group. La(1) is bonded to two equivalent Pb(1) and four equivalent I(1) atoms to form a mixture of corner and edge-sharing LaPb2I4 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. Pb(1) is bonded to six equivalent La(1) atoms to form edge-sharing PbLa6 octahedra. I(1) is bonded in a rectangular see-saw-like geometry to four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La3PbI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.292
_cell_length_b   11.293
_cell_length_c   11.293
_cell_angle_alpha   109.459
_cell_angle_beta   109.479
_cell_angle_gamma   109.479
_symmetry_Int_Tables_number   1
_cell_volume   1108.604
_cell_formula_units_Z   4
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  0.750  0.242  0.258  1.0
  La  La1  1  0.492  0.750  0.007  1.0
  La  La2  1  0.015  0.258  0.008  1.0
  La  La3  1  0.257  0.007  0.015  1.0
  La  La4  1  0.243  0.258  0.750  1.0
  La  La5  1  0.257  0.750  0.242  1.0
  La  La6  1  0.243  0.485  0.493  1.0
  La  La7  1  0.485  0.492  0.242  1.0
  La  La8  1  0.750  0.008  0.492  1.0
  La  La9  1  0.492  0.242  0.485  1.0
  La  La10  1  0.008  0.015  0.258  1.0
  La  La11  1  0.008  0.493  0.750  1.0
  Pb  Pb12  1  0.000  0.250  0.500  1.0
  Pb  Pb13  1  0.250  0.500  1.000  1.0
  Pb  Pb14  1  0.500  1.000  0.250  1.0
  Pb  Pb15  1  0.250  0.250  0.250  1.0
  I  I16  1  0.756  0.744  0.250  1.0
  I  I17  1  0.507  0.250  0.994  1.0
  I  I18  1  0.250  0.994  0.506  1.0
  I  I19  1  0.513  0.507  0.757  1.0
  I  I20  1  0.507  0.756  0.513  1.0
  I  I21  1  0.756  0.513  0.506  1.0
  I  I22  1  0.744  0.250  0.756  1.0
  I  I23  1  0.250  0.756  0.744  1.0
  I  I24  1  0.987  0.743  0.993  1.0
  I  I25  1  0.993  0.506  0.250  1.0
  I  I26  1  0.993  0.987  0.744  1.0
  I  I27  1  0.744  0.994  0.987  1.0
[/CIF]
.
The compound described by La3PbI3 crystallizes in the cubic I4_132 space group. La(1) is bonded to two equivalent Pb(1) and four equivalent I(1) atoms to form a mixture of corner and edge-sharing LaPb2I4 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. Pb(1) is bonded to six equivalent La(1) atoms to form edge-sharing PbLa6 octahedra. I(1) is bonded in a rectangular see-saw-like geometry to four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La3PbI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.292
_cell_length_b   11.293
_cell_length_c   11.293
_cell_angle_alpha   109.459
_cell_angle_beta   109.479
_cell_angle_gamma   109.479
_symmetry_Int_Tables_number   1
_cell_volume   1108.604
_cell_formula_units_Z   4
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  0.750  0.242  0.258  1.0
  La  La1  1  0.492  0.750  0.007  1.0
  La  La2  1  0.015  0.258  0.008  1.0
  La  La3  1  0.257  0.007  0.015  1.0
  La  La4  1  0.243  0.258  0.750  1.0
  La  La5  1  0.257  0.750  0.242  1.0
  La  La6  1  0.243  0.485  0.493  1.0
  La  La7  1  0.485  0.492  0.242  1.0
  La  La8  1  0.750  0.008  0.492  1.0
  La  La9  1  0.492  0.242  0.485  1.0
  La  La10  1  0.008  0.015  0.258  1.0
  La  La11  1  0.008  0.493  0.750  1.0
  Pb  Pb12  1  0.000  0.250  0.500  1.0
  Pb  Pb13  1  0.250  0.500  1.000  1.0
  Pb  Pb14  1  0.500  1.000  0.250  1.0
  Pb  Pb15  1  0.250  0.250  0.250  1.0
  I  I16  1  0.756  0.744  0.250  1.0
  I  I17  1  0.507  0.250  0.994  1.0
  I  I18  1  0.250  0.994  0.506  1.0
  I  I19  1  0.513  0.507  0.757  1.0
  I  I20  1  0.507  0.756  0.513  1.0
  I  I21  1  0.756  0.513  0.506  1.0
  I  I22  1  0.744  0.250  0.756  1.0
  I  I23  1  0.250  0.756  0.744  1.0
  I  I24  1  0.987  0.743  0.993  1.0
  I  I25  1  0.993  0.506  0.250  1.0
  I  I26  1  0.993  0.987  0.744  1.0
  I  I27  1  0.744  0.994  0.987  1.0
[/CIF]
.