The crystal structure described by BaLaI5 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent I(1), two equivalent I(3), and six equivalent I(2) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent I(2), two equivalent I(3), and four equivalent I(1) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent La(1) atoms. In the second I site, I(2) is bonded to three equivalent Ba(1) and one La(1) atom to form a mixture of corner and edge-sharing IBa3La tetrahedra. In the third I site, I(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLaI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.706
_cell_length_b   11.706
_cell_length_c   8.042
_cell_angle_alpha   88.942
_cell_angle_beta   88.942
_cell_angle_gamma   147.821
_symmetry_Int_Tables_number   1
_cell_volume   585.605
_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  0.673  0.327  0.250  1.0
  Ba  Ba1  1  0.327  0.673  0.750  1.0
  La  La2  1  0.921  0.079  0.250  1.0
  La  La3  1  0.079  0.921  0.750  1.0
  I  I4  1  0.786  0.717  0.101  1.0
  I  I5  1  0.803  0.188  0.993  1.0
  I  I6  1  0.631  0.369  0.750  1.0
  I  I7  1  0.812  0.197  0.507  1.0
  I  I8  1  0.717  0.786  0.601  1.0
  I  I9  1  0.283  0.214  0.399  1.0
  I  I10  1  0.188  0.803  0.493  1.0
  I  I11  1  0.369  0.631  0.250  1.0
  I  I12  1  0.197  0.812  0.007  1.0
  I  I13  1  0.214  0.283  0.899  1.0
[/CIF]
.
The crystal structure described by BaLaI5 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent I(1), two equivalent I(3), and six equivalent I(2) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent I(2), two equivalent I(3), and four equivalent I(1) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent La(1) atoms. In the second I site, I(2) is bonded to three equivalent Ba(1) and one La(1) atom to form a mixture of corner and edge-sharing IBa3La tetrahedra. In the third I site, I(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLaI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.706
_cell_length_b   11.706
_cell_length_c   8.042
_cell_angle_alpha   88.942
_cell_angle_beta   88.942
_cell_angle_gamma   147.821
_symmetry_Int_Tables_number   1
_cell_volume   585.605
_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  0.673  0.327  0.250  1.0
  Ba  Ba1  1  0.327  0.673  0.750  1.0
  La  La2  1  0.921  0.079  0.250  1.0
  La  La3  1  0.079  0.921  0.750  1.0
  I  I4  1  0.786  0.717  0.101  1.0
  I  I5  1  0.803  0.188  0.993  1.0
  I  I6  1  0.631  0.369  0.750  1.0
  I  I7  1  0.812  0.197  0.507  1.0
  I  I8  1  0.717  0.786  0.601  1.0
  I  I9  1  0.283  0.214  0.399  1.0
  I  I10  1  0.188  0.803  0.493  1.0
  I  I11  1  0.369  0.631  0.250  1.0
  I  I12  1  0.197  0.812  0.007  1.0
  I  I13  1  0.214  0.283  0.899  1.0
[/CIF]
.