The compound described by La3SiI3 crystallizes in the cubic I4_132 space group. La(1) is bonded to two equivalent Si(1) and four equivalent I(1) atoms to form a mixture of edge and corner-sharing LaSi2I4 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Si(1) is bonded to six equivalent La(1) atoms to form edge-sharing SiLa6 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_La3SiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.021
_cell_length_b   11.019
_cell_length_c   11.020
_cell_angle_alpha   109.466
_cell_angle_beta   109.473
_cell_angle_gamma   109.469
_symmetry_Int_Tables_number   1
_cell_volume   1030.145
_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  0.469  0.484  0.234  1.0
  La  La1  1  0.750  0.234  0.266  1.0
  La  La2  1  0.750  0.016  0.484  1.0
  La  La3  1  0.234  0.469  0.484  1.0
  La  La4  1  0.266  0.750  0.234  1.0
  La  La5  1  0.031  0.266  0.016  1.0
  La  La6  1  0.016  0.031  0.266  1.0
  La  La7  1  0.484  0.750  0.016  1.0
  La  La8  1  0.484  0.234  0.469  1.0
  La  La9  1  0.016  0.484  0.750  1.0
  La  La10  1  0.266  0.016  0.031  1.0
  La  La11  1  0.234  0.266  0.750  1.0
  Si  Si12  1  0.250  0.250  0.250  1.0
  Si  Si13  1  0.500  0.000  0.250  1.0
  Si  Si14  1  0.000  0.250  0.500  1.0
  Si  Si15  1  0.250  0.500  0.000  1.0
  I  I16  1  0.250  0.759  0.741  1.0
  I  I17  1  0.517  0.509  0.759  1.0
  I  I18  1  0.983  0.742  0.991  1.0
  I  I19  1  0.741  0.250  0.759  1.0
  I  I20  1  0.991  0.983  0.741  1.0
  I  I21  1  0.250  0.992  0.509  1.0
  I  I22  1  0.759  0.517  0.509  1.0
  I  I23  1  0.509  0.250  0.991  1.0
  I  I24  1  0.758  0.741  0.250  1.0
  I  I25  1  0.742  0.991  0.983  1.0
  I  I26  1  0.991  0.508  0.250  1.0
  I  I27  1  0.509  0.758  0.517  1.0
[/CIF]
.
The compound described by La3SiI3 crystallizes in the cubic I4_132 space group. La(1) is bonded to two equivalent Si(1) and four equivalent I(1) atoms to form a mixture of edge and corner-sharing LaSi2I4 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Si(1) is bonded to six equivalent La(1) atoms to form edge-sharing SiLa6 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_La3SiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.021
_cell_length_b   11.019
_cell_length_c   11.020
_cell_angle_alpha   109.466
_cell_angle_beta   109.473
_cell_angle_gamma   109.469
_symmetry_Int_Tables_number   1
_cell_volume   1030.145
_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  0.469  0.484  0.234  1.0
  La  La1  1  0.750  0.234  0.266  1.0
  La  La2  1  0.750  0.016  0.484  1.0
  La  La3  1  0.234  0.469  0.484  1.0
  La  La4  1  0.266  0.750  0.234  1.0
  La  La5  1  0.031  0.266  0.016  1.0
  La  La6  1  0.016  0.031  0.266  1.0
  La  La7  1  0.484  0.750  0.016  1.0
  La  La8  1  0.484  0.234  0.469  1.0
  La  La9  1  0.016  0.484  0.750  1.0
  La  La10  1  0.266  0.016  0.031  1.0
  La  La11  1  0.234  0.266  0.750  1.0
  Si  Si12  1  0.250  0.250  0.250  1.0
  Si  Si13  1  0.500  0.000  0.250  1.0
  Si  Si14  1  0.000  0.250  0.500  1.0
  Si  Si15  1  0.250  0.500  0.000  1.0
  I  I16  1  0.250  0.759  0.741  1.0
  I  I17  1  0.517  0.509  0.759  1.0
  I  I18  1  0.983  0.742  0.991  1.0
  I  I19  1  0.741  0.250  0.759  1.0
  I  I20  1  0.991  0.983  0.741  1.0
  I  I21  1  0.250  0.992  0.509  1.0
  I  I22  1  0.759  0.517  0.509  1.0
  I  I23  1  0.509  0.250  0.991  1.0
  I  I24  1  0.758  0.741  0.250  1.0
  I  I25  1  0.742  0.991  0.983  1.0
  I  I26  1  0.991  0.508  0.250  1.0
  I  I27  1  0.509  0.758  0.517  1.0
[/CIF]
.