The compound 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 9-coordinate geometry to one I(1), one I(2), one I(3), one I(4), one I(7), two equivalent I(5), and two equivalent I(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one I(1), one I(4), one I(5), one I(6), one I(7), two equivalent I(2), and two equivalent I(3) atoms. La(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. There are seven inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the second I site, I(2) is bonded to one Ba(1), two equivalent Ba(2), and one La(1) atom to form a mixture of distorted edge and corner-sharing IBa3La tetrahedra. In the third I site, I(3) is bonded to one Ba(1), two equivalent Ba(2), and one La(1) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. 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 to one Ba(2), two equivalent Ba(1), and one La(1) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. In the sixth I site, I(6) is bonded to one Ba(2), two equivalent Ba(1), and one La(1) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. In the seventh I site, I(7) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. is represented by the CIF card [CIF]
data_Ba2LaI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.107
_cell_length_b   7.949
_cell_length_c   12.181
_cell_angle_alpha   89.089
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1753.135
_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  0.221  0.734  0.049  1.0
  Ba  Ba1  1  0.560  0.732  0.176  1.0
  Ba  Ba2  1  0.060  0.268  0.324  1.0
  Ba  Ba3  1  0.721  0.267  0.451  1.0
  Ba  Ba4  1  0.279  0.734  0.549  1.0
  Ba  Ba5  1  0.940  0.732  0.676  1.0
  Ba  Ba6  1  0.440  0.268  0.824  1.0
  Ba  Ba7  1  0.779  0.267  0.951  1.0
  La  La8  1  0.873  0.781  0.219  1.0
  La  La9  1  0.373  0.219  0.281  1.0
  La  La10  1  0.627  0.781  0.719  1.0
  La  La11  1  0.127  0.219  0.781  1.0
  I  I12  1  0.141  0.295  0.038  1.0
  I  I13  1  0.397  0.993  0.064  1.0
  I  I14  1  0.396  0.496  0.078  1.0
  I  I15  1  0.931  0.144  0.120  1.0
  I  I16  1  0.739  0.502  0.196  1.0
  I  I17  1  0.723  0.004  0.205  1.0
  I  I18  1  0.045  0.701  0.213  1.0
  I  I19  1  0.545  0.299  0.287  1.0
  I  I20  1  0.223  0.996  0.295  1.0
  I  I21  1  0.239  0.498  0.304  1.0
  I  I22  1  0.431  0.856  0.380  1.0
  I  I23  1  0.896  0.504  0.422  1.0
  I  I24  1  0.897  0.007  0.436  1.0
  I  I25  1  0.641  0.705  0.462  1.0
  I  I26  1  0.359  0.295  0.538  1.0
  I  I27  1  0.103  0.993  0.564  1.0
  I  I28  1  0.104  0.496  0.578  1.0
  I  I29  1  0.569  0.144  0.620  1.0
  I  I30  1  0.761  0.502  0.696  1.0
  I  I31  1  0.777  0.004  0.705  1.0
  I  I32  1  0.455  0.701  0.713  1.0
  I  I33  1  0.955  0.299  0.787  1.0
  I  I34  1  0.277  0.996  0.795  1.0
  I  I35  1  0.261  0.498  0.804  1.0
  I  I36  1  0.069  0.856  0.880  1.0
  I  I37  1  0.604  0.504  0.922  1.0
  I  I38  1  0.603  0.007  0.936  1.0
  I  I39  1  0.859  0.705  0.962  1.0
[/CIF]
.
The compound 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 9-coordinate geometry to one I(1), one I(2), one I(3), one I(4), one I(7), two equivalent I(5), and two equivalent I(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one I(1), one I(4), one I(5), one I(6), one I(7), two equivalent I(2), and two equivalent I(3) atoms. La(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. There are seven inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the second I site, I(2) is bonded to one Ba(1), two equivalent Ba(2), and one La(1) atom to form a mixture of distorted edge and corner-sharing IBa3La tetrahedra. In the third I site, I(3) is bonded to one Ba(1), two equivalent Ba(2), and one La(1) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. 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 to one Ba(2), two equivalent Ba(1), and one La(1) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. In the sixth I site, I(6) is bonded to one Ba(2), two equivalent Ba(1), and one La(1) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. In the seventh I site, I(7) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. is represented by the CIF card [CIF]
data_Ba2LaI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.107
_cell_length_b   7.949
_cell_length_c   12.181
_cell_angle_alpha   89.089
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1753.135
_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  0.221  0.734  0.049  1.0
  Ba  Ba1  1  0.560  0.732  0.176  1.0
  Ba  Ba2  1  0.060  0.268  0.324  1.0
  Ba  Ba3  1  0.721  0.267  0.451  1.0
  Ba  Ba4  1  0.279  0.734  0.549  1.0
  Ba  Ba5  1  0.940  0.732  0.676  1.0
  Ba  Ba6  1  0.440  0.268  0.824  1.0
  Ba  Ba7  1  0.779  0.267  0.951  1.0
  La  La8  1  0.873  0.781  0.219  1.0
  La  La9  1  0.373  0.219  0.281  1.0
  La  La10  1  0.627  0.781  0.719  1.0
  La  La11  1  0.127  0.219  0.781  1.0
  I  I12  1  0.141  0.295  0.038  1.0
  I  I13  1  0.397  0.993  0.064  1.0
  I  I14  1  0.396  0.496  0.078  1.0
  I  I15  1  0.931  0.144  0.120  1.0
  I  I16  1  0.739  0.502  0.196  1.0
  I  I17  1  0.723  0.004  0.205  1.0
  I  I18  1  0.045  0.701  0.213  1.0
  I  I19  1  0.545  0.299  0.287  1.0
  I  I20  1  0.223  0.996  0.295  1.0
  I  I21  1  0.239  0.498  0.304  1.0
  I  I22  1  0.431  0.856  0.380  1.0
  I  I23  1  0.896  0.504  0.422  1.0
  I  I24  1  0.897  0.007  0.436  1.0
  I  I25  1  0.641  0.705  0.462  1.0
  I  I26  1  0.359  0.295  0.538  1.0
  I  I27  1  0.103  0.993  0.564  1.0
  I  I28  1  0.104  0.496  0.578  1.0
  I  I29  1  0.569  0.144  0.620  1.0
  I  I30  1  0.761  0.502  0.696  1.0
  I  I31  1  0.777  0.004  0.705  1.0
  I  I32  1  0.455  0.701  0.713  1.0
  I  I33  1  0.955  0.299  0.787  1.0
  I  I34  1  0.277  0.996  0.795  1.0
  I  I35  1  0.261  0.498  0.804  1.0
  I  I36  1  0.069  0.856  0.880  1.0
  I  I37  1  0.604  0.504  0.922  1.0
  I  I38  1  0.603  0.007  0.936  1.0
  I  I39  1  0.859  0.705  0.962  1.0
[/CIF]
.