The structure described by BaLaI5 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 6-coordinate geometry to one I(1), one I(3), one I(4), one I(5), and two equivalent I(2) atoms. La(1) is bonded to one I(1), one I(2), one I(3), two equivalent I(4), and two equivalent I(5) atoms to form a mixture of distorted edge and corner-sharing LaI7 pentagonal bipyramids. There are five inequivalent I sites. In the first I site, I(1) is bonded in a distorted water-like geometry to one Ba(1) and one La(1) atom. In the second I site, I(2) is bonded in a trigonal non-coplanar geometry to two equivalent Ba(1) and one La(1) atom. In the third I site, I(3) is bonded in a distorted L-shaped geometry to one Ba(1) and one La(1) atom. In the fourth I site, I(4) is bonded in a T-shaped geometry to one Ba(1) and two equivalent La(1) atoms. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_BaLaI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.492
_cell_length_b   8.908
_cell_length_c   14.585
_cell_angle_alpha   62.400
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1323.163
_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
  Ba  Ba0  1  0.469  0.868  0.296  1.0
  Ba  Ba1  1  0.031  0.868  0.796  1.0
  Ba  Ba2  1  0.969  0.132  0.204  1.0
  Ba  Ba3  1  0.531  0.132  0.704  1.0
  La  La4  1  0.655  0.505  0.139  1.0
  La  La5  1  0.155  0.495  0.361  1.0
  La  La6  1  0.845  0.505  0.639  1.0
  La  La7  1  0.345  0.495  0.861  1.0
  I  I8  1  0.702  0.852  0.147  1.0
  I  I9  1  0.188  0.878  0.175  1.0
  I  I10  1  0.176  0.547  0.013  1.0
  I  I11  1  0.924  0.481  0.244  1.0
  I  I12  1  0.479  0.261  0.075  1.0
  I  I13  1  0.979  0.739  0.425  1.0
  I  I14  1  0.424  0.519  0.256  1.0
  I  I15  1  0.798  0.852  0.647  1.0
  I  I16  1  0.676  0.453  0.487  1.0
  I  I17  1  0.312  0.878  0.675  1.0
  I  I18  1  0.688  0.122  0.325  1.0
  I  I19  1  0.324  0.547  0.513  1.0
  I  I20  1  0.202  0.148  0.353  1.0
  I  I21  1  0.576  0.481  0.744  1.0
  I  I22  1  0.021  0.261  0.575  1.0
  I  I23  1  0.521  0.739  0.925  1.0
  I  I24  1  0.076  0.519  0.756  1.0
  I  I25  1  0.824  0.453  0.987  1.0
  I  I26  1  0.812  0.122  0.825  1.0
  I  I27  1  0.298  0.148  0.853  1.0
[/CIF]
.
The structure described by BaLaI5 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 6-coordinate geometry to one I(1), one I(3), one I(4), one I(5), and two equivalent I(2) atoms. La(1) is bonded to one I(1), one I(2), one I(3), two equivalent I(4), and two equivalent I(5) atoms to form a mixture of distorted edge and corner-sharing LaI7 pentagonal bipyramids. There are five inequivalent I sites. In the first I site, I(1) is bonded in a distorted water-like geometry to one Ba(1) and one La(1) atom. In the second I site, I(2) is bonded in a trigonal non-coplanar geometry to two equivalent Ba(1) and one La(1) atom. In the third I site, I(3) is bonded in a distorted L-shaped geometry to one Ba(1) and one La(1) atom. In the fourth I site, I(4) is bonded in a T-shaped geometry to one Ba(1) and two equivalent La(1) atoms. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_BaLaI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.492
_cell_length_b   8.908
_cell_length_c   14.585
_cell_angle_alpha   62.400
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1323.163
_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
  Ba  Ba0  1  0.469  0.868  0.296  1.0
  Ba  Ba1  1  0.031  0.868  0.796  1.0
  Ba  Ba2  1  0.969  0.132  0.204  1.0
  Ba  Ba3  1  0.531  0.132  0.704  1.0
  La  La4  1  0.655  0.505  0.139  1.0
  La  La5  1  0.155  0.495  0.361  1.0
  La  La6  1  0.845  0.505  0.639  1.0
  La  La7  1  0.345  0.495  0.861  1.0
  I  I8  1  0.702  0.852  0.147  1.0
  I  I9  1  0.188  0.878  0.175  1.0
  I  I10  1  0.176  0.547  0.013  1.0
  I  I11  1  0.924  0.481  0.244  1.0
  I  I12  1  0.479  0.261  0.075  1.0
  I  I13  1  0.979  0.739  0.425  1.0
  I  I14  1  0.424  0.519  0.256  1.0
  I  I15  1  0.798  0.852  0.647  1.0
  I  I16  1  0.676  0.453  0.487  1.0
  I  I17  1  0.312  0.878  0.675  1.0
  I  I18  1  0.688  0.122  0.325  1.0
  I  I19  1  0.324  0.547  0.513  1.0
  I  I20  1  0.202  0.148  0.353  1.0
  I  I21  1  0.576  0.481  0.744  1.0
  I  I22  1  0.021  0.261  0.575  1.0
  I  I23  1  0.521  0.739  0.925  1.0
  I  I24  1  0.076  0.519  0.756  1.0
  I  I25  1  0.824  0.453  0.987  1.0
  I  I26  1  0.812  0.122  0.825  1.0
  I  I27  1  0.298  0.148  0.853  1.0
[/CIF]
.