The structure described by BaLaI5 crystallizes in the monoclinic P2_1/c space group. Ba(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 distorted BaI7 pentagonal bipyramids that share corners with four equivalent La(1)I6 octahedra, edges with two equivalent La(1)I6 octahedra, and edges with two equivalent Ba(1)I7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 17-46°. La(1) is bonded to one I(1), one I(3), one I(4), one I(5), and two equivalent I(2) atoms to form LaI6 octahedra that share corners with two equivalent La(1)I6 octahedra, corners with four equivalent Ba(1)I7 pentagonal bipyramids, and edges with two equivalent Ba(1)I7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are five inequivalent I sites. In the first I site, I(1) is bonded in a bent 150 degrees geometry to one Ba(1) and one La(1) atom. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent La(1) atoms. In the third I site, I(3) is bonded in a linear geometry to one Ba(1) and one La(1) atom. In the fourth I site, I(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one La(1) atom. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one La(1) atom. is represented by the CIF card [CIF]
data_BaLaI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.852
_cell_length_b   8.806
_cell_length_c   12.117
_cell_angle_alpha   70.199
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1591.499
_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  0.975  0.536  0.741  1.0
  Ba  Ba1  1  0.475  0.464  0.759  1.0
  Ba  Ba2  1  0.525  0.536  0.241  1.0
  Ba  Ba3  1  0.025  0.464  0.259  1.0
  La  La4  1  0.747  0.893  0.900  1.0
  La  La5  1  0.753  0.893  0.400  1.0
  La  La6  1  0.247  0.107  0.600  1.0
  La  La7  1  0.253  0.107  0.100  1.0
  I  I8  1  0.095  0.877  0.694  1.0
  I  I9  1  0.807  0.839  0.665  1.0
  I  I10  1  0.369  0.821  0.638  1.0
  I  I11  1  0.894  0.630  0.999  1.0
  I  I12  1  0.614  0.598  0.945  1.0
  I  I13  1  0.405  0.877  0.194  1.0
  I  I14  1  0.693  0.839  0.165  1.0
  I  I15  1  0.131  0.821  0.138  1.0
  I  I16  1  0.606  0.630  0.499  1.0
  I  I17  1  0.886  0.598  0.445  1.0
  I  I18  1  0.114  0.402  0.555  1.0
  I  I19  1  0.394  0.370  0.501  1.0
  I  I20  1  0.869  0.179  0.862  1.0
  I  I21  1  0.307  0.161  0.835  1.0
  I  I22  1  0.595  0.123  0.806  1.0
  I  I23  1  0.386  0.402  0.055  1.0
  I  I24  1  0.106  0.370  0.001  1.0
  I  I25  1  0.631  0.179  0.362  1.0
  I  I26  1  0.193  0.161  0.335  1.0
  I  I27  1  0.905  0.123  0.306  1.0
[/CIF]
.
The structure described by BaLaI5 crystallizes in the monoclinic P2_1/c space group. Ba(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 distorted BaI7 pentagonal bipyramids that share corners with four equivalent La(1)I6 octahedra, edges with two equivalent La(1)I6 octahedra, and edges with two equivalent Ba(1)I7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 17-46°. La(1) is bonded to one I(1), one I(3), one I(4), one I(5), and two equivalent I(2) atoms to form LaI6 octahedra that share corners with two equivalent La(1)I6 octahedra, corners with four equivalent Ba(1)I7 pentagonal bipyramids, and edges with two equivalent Ba(1)I7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are five inequivalent I sites. In the first I site, I(1) is bonded in a bent 150 degrees geometry to one Ba(1) and one La(1) atom. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent La(1) atoms. In the third I site, I(3) is bonded in a linear geometry to one Ba(1) and one La(1) atom. In the fourth I site, I(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one La(1) atom. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one La(1) atom. is represented by the CIF card [CIF]
data_BaLaI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.852
_cell_length_b   8.806
_cell_length_c   12.117
_cell_angle_alpha   70.199
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1591.499
_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  0.975  0.536  0.741  1.0
  Ba  Ba1  1  0.475  0.464  0.759  1.0
  Ba  Ba2  1  0.525  0.536  0.241  1.0
  Ba  Ba3  1  0.025  0.464  0.259  1.0
  La  La4  1  0.747  0.893  0.900  1.0
  La  La5  1  0.753  0.893  0.400  1.0
  La  La6  1  0.247  0.107  0.600  1.0
  La  La7  1  0.253  0.107  0.100  1.0
  I  I8  1  0.095  0.877  0.694  1.0
  I  I9  1  0.807  0.839  0.665  1.0
  I  I10  1  0.369  0.821  0.638  1.0
  I  I11  1  0.894  0.630  0.999  1.0
  I  I12  1  0.614  0.598  0.945  1.0
  I  I13  1  0.405  0.877  0.194  1.0
  I  I14  1  0.693  0.839  0.165  1.0
  I  I15  1  0.131  0.821  0.138  1.0
  I  I16  1  0.606  0.630  0.499  1.0
  I  I17  1  0.886  0.598  0.445  1.0
  I  I18  1  0.114  0.402  0.555  1.0
  I  I19  1  0.394  0.370  0.501  1.0
  I  I20  1  0.869  0.179  0.862  1.0
  I  I21  1  0.307  0.161  0.835  1.0
  I  I22  1  0.595  0.123  0.806  1.0
  I  I23  1  0.386  0.402  0.055  1.0
  I  I24  1  0.106  0.370  0.001  1.0
  I  I25  1  0.631  0.179  0.362  1.0
  I  I26  1  0.193  0.161  0.335  1.0
  I  I27  1  0.905  0.123  0.306  1.0
[/CIF]
.