The crystal structure described by Ba2LaI7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted pentagonal bipyramidal geometry to one I(1), one I(2), one I(3), one I(4), one I(5), one I(6), and one I(7) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one I(1), one I(3), one I(4), one I(5), one I(6), one I(7), and two equivalent I(2) atoms. La(1) is bonded in a 7-coordinate geometry to one I(1), one I(3), one I(4), one I(5), one I(6), and two equivalent I(7) atoms. There are seven inequivalent I sites. In the first I site, I(1) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Ba(1) and two equivalent Ba(2) atoms. In the third I site, I(3) is bonded in a T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fifth I site, I(5) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the sixth I site, I(6) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the seventh I site, I(7) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_Ba2LaI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.396
_cell_length_b   10.013
_cell_length_c   18.612
_cell_angle_alpha   58.726
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1974.486
_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  0.739  0.225  0.016  1.0
  Ba  Ba1  1  0.192  0.378  0.282  1.0
  Ba  Ba2  1  0.692  0.622  0.218  1.0
  Ba  Ba3  1  0.239  0.775  0.484  1.0
  Ba  Ba4  1  0.761  0.225  0.516  1.0
  Ba  Ba5  1  0.308  0.378  0.782  1.0
  Ba  Ba6  1  0.808  0.622  0.718  1.0
  Ba  Ba7  1  0.261  0.775  0.984  1.0
  La  La8  1  0.138  0.988  0.184  1.0
  La  La9  1  0.638  0.012  0.316  1.0
  La  La10  1  0.362  0.988  0.684  1.0
  La  La11  1  0.862  0.012  0.816  1.0
  I  I12  1  0.067  0.745  0.123  1.0
  I  I13  1  0.425  0.578  0.152  1.0
  I  I14  1  0.727  0.893  0.989  1.0
  I  I15  1  0.135  0.362  0.099  1.0
  I  I16  1  0.555  0.974  0.161  1.0
  I  I17  1  0.744  0.329  0.172  1.0
  I  I18  1  0.373  0.068  0.293  1.0
  I  I19  1  0.635  0.638  0.401  1.0
  I  I20  1  0.227  0.107  0.511  1.0
  I  I21  1  0.925  0.422  0.348  1.0
  I  I22  1  0.873  0.932  0.207  1.0
  I  I23  1  0.244  0.671  0.328  1.0
  I  I24  1  0.055  0.026  0.339  1.0
  I  I25  1  0.567  0.255  0.377  1.0
  I  I26  1  0.433  0.745  0.623  1.0
  I  I27  1  0.945  0.974  0.661  1.0
  I  I28  1  0.756  0.329  0.672  1.0
  I  I29  1  0.127  0.068  0.793  1.0
  I  I30  1  0.075  0.578  0.652  1.0
  I  I31  1  0.773  0.893  0.489  1.0
  I  I32  1  0.365  0.362  0.599  1.0
  I  I33  1  0.627  0.932  0.707  1.0
  I  I34  1  0.256  0.671  0.828  1.0
  I  I35  1  0.445  0.026  0.839  1.0
  I  I36  1  0.865  0.638  0.901  1.0
  I  I37  1  0.273  0.107  0.011  1.0
  I  I38  1  0.575  0.422  0.848  1.0
  I  I39  1  0.933  0.255  0.877  1.0
[/CIF]
.
The crystal structure described by Ba2LaI7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted pentagonal bipyramidal geometry to one I(1), one I(2), one I(3), one I(4), one I(5), one I(6), and one I(7) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one I(1), one I(3), one I(4), one I(5), one I(6), one I(7), and two equivalent I(2) atoms. La(1) is bonded in a 7-coordinate geometry to one I(1), one I(3), one I(4), one I(5), one I(6), and two equivalent I(7) atoms. There are seven inequivalent I sites. In the first I site, I(1) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Ba(1) and two equivalent Ba(2) atoms. In the third I site, I(3) is bonded in a T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fifth I site, I(5) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the sixth I site, I(6) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the seventh I site, I(7) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_Ba2LaI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.396
_cell_length_b   10.013
_cell_length_c   18.612
_cell_angle_alpha   58.726
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1974.486
_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  0.739  0.225  0.016  1.0
  Ba  Ba1  1  0.192  0.378  0.282  1.0
  Ba  Ba2  1  0.692  0.622  0.218  1.0
  Ba  Ba3  1  0.239  0.775  0.484  1.0
  Ba  Ba4  1  0.761  0.225  0.516  1.0
  Ba  Ba5  1  0.308  0.378  0.782  1.0
  Ba  Ba6  1  0.808  0.622  0.718  1.0
  Ba  Ba7  1  0.261  0.775  0.984  1.0
  La  La8  1  0.138  0.988  0.184  1.0
  La  La9  1  0.638  0.012  0.316  1.0
  La  La10  1  0.362  0.988  0.684  1.0
  La  La11  1  0.862  0.012  0.816  1.0
  I  I12  1  0.067  0.745  0.123  1.0
  I  I13  1  0.425  0.578  0.152  1.0
  I  I14  1  0.727  0.893  0.989  1.0
  I  I15  1  0.135  0.362  0.099  1.0
  I  I16  1  0.555  0.974  0.161  1.0
  I  I17  1  0.744  0.329  0.172  1.0
  I  I18  1  0.373  0.068  0.293  1.0
  I  I19  1  0.635  0.638  0.401  1.0
  I  I20  1  0.227  0.107  0.511  1.0
  I  I21  1  0.925  0.422  0.348  1.0
  I  I22  1  0.873  0.932  0.207  1.0
  I  I23  1  0.244  0.671  0.328  1.0
  I  I24  1  0.055  0.026  0.339  1.0
  I  I25  1  0.567  0.255  0.377  1.0
  I  I26  1  0.433  0.745  0.623  1.0
  I  I27  1  0.945  0.974  0.661  1.0
  I  I28  1  0.756  0.329  0.672  1.0
  I  I29  1  0.127  0.068  0.793  1.0
  I  I30  1  0.075  0.578  0.652  1.0
  I  I31  1  0.773  0.893  0.489  1.0
  I  I32  1  0.365  0.362  0.599  1.0
  I  I33  1  0.627  0.932  0.707  1.0
  I  I34  1  0.256  0.671  0.828  1.0
  I  I35  1  0.445  0.026  0.839  1.0
  I  I36  1  0.865  0.638  0.901  1.0
  I  I37  1  0.273  0.107  0.011  1.0
  I  I38  1  0.575  0.422  0.848  1.0
  I  I39  1  0.933  0.255  0.877  1.0
[/CIF]
.