The crystal structure described by BaLaI4 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. La(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1) and two equivalent La(1) atoms. In the second I site, I(2) is bonded to two equivalent Ba(1) and two equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing IBa2La2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.532
_cell_length_b   9.045
_cell_length_c   9.276
_cell_angle_alpha   113.817
_cell_angle_beta   107.788
_cell_angle_gamma   101.951
_symmetry_Int_Tables_number   1
_cell_volume   509.318
_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
  Ba  Ba0  1  0.385  0.635  0.269  1.0
  Ba  Ba1  1  0.615  0.365  0.731  1.0
  La  La2  1  0.250  0.000  0.001  1.0
  La  La3  1  0.750  1.000  0.999  1.0
  I  I4  1  0.013  0.234  0.874  1.0
  I  I5  1  0.361  0.640  0.874  1.0
  I  I6  1  0.987  0.766  0.126  1.0
  I  I7  1  0.639  0.360  0.126  1.0
  I  I8  1  0.356  0.941  0.651  1.0
  I  I9  1  0.795  0.710  0.651  1.0
  I  I10  1  0.644  0.059  0.349  1.0
  I  I11  1  0.205  0.290  0.349  1.0
[/CIF]
.
The crystal structure described by BaLaI4 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. La(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1) and two equivalent La(1) atoms. In the second I site, I(2) is bonded to two equivalent Ba(1) and two equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing IBa2La2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.532
_cell_length_b   9.045
_cell_length_c   9.276
_cell_angle_alpha   113.817
_cell_angle_beta   107.788
_cell_angle_gamma   101.951
_symmetry_Int_Tables_number   1
_cell_volume   509.318
_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
  Ba  Ba0  1  0.385  0.635  0.269  1.0
  Ba  Ba1  1  0.615  0.365  0.731  1.0
  La  La2  1  0.250  0.000  0.001  1.0
  La  La3  1  0.750  1.000  0.999  1.0
  I  I4  1  0.013  0.234  0.874  1.0
  I  I5  1  0.361  0.640  0.874  1.0
  I  I6  1  0.987  0.766  0.126  1.0
  I  I7  1  0.639  0.360  0.126  1.0
  I  I8  1  0.356  0.941  0.651  1.0
  I  I9  1  0.795  0.710  0.651  1.0
  I  I10  1  0.644  0.059  0.349  1.0
  I  I11  1  0.205  0.290  0.349  1.0
[/CIF]
.