The material structure described by Ba2LaI7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to one I(4), two equivalent I(1), two equivalent I(3), and three equivalent I(2) atoms. La(1) is bonded in a 9-coordinate geometry to one I(4), two equivalent I(2), two equivalent I(3), and four equivalent I(1) atoms. There are four inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Ba(1) and two equivalent La(1) atoms to form IBa2La2 tetrahedra that share corners with four equivalent I(2)Ba3La tetrahedra, corners with six equivalent I(1)Ba2La2 tetrahedra,  an edgeedge with one I(1)Ba2La2 tetrahedra, and edges with three equivalent I(2)Ba3La tetrahedra. In the second I site, I(2) is bonded to three equivalent Ba(1) and one La(1) atom to form IBa3La tetrahedra that share corners with four equivalent I(1)Ba2La2 tetrahedra, corners with five equivalent I(2)Ba3La tetrahedra,  an edgeedge with one I(2)Ba3La tetrahedra, and edges with three equivalent I(1)Ba2La2 tetrahedra. In the third I site, I(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent 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. is represented by the CIF card [CIF]
data_Ba2LaI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.348
_cell_length_b   10.348
_cell_length_c   11.734
_cell_angle_alpha   60.756
_cell_angle_beta   60.756
_cell_angle_gamma   53.364
_symmetry_Int_Tables_number   1
_cell_volume   844.191
_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  0.295  0.307  0.307  1.0
  Ba  Ba1  1  0.693  0.705  0.193  1.0
  Ba  Ba2  1  0.307  0.295  0.807  1.0
  Ba  Ba3  1  0.705  0.693  0.693  1.0
  La  La4  1  0.013  0.987  0.750  1.0
  La  La5  1  0.987  0.013  0.250  1.0
  I  I6  1  0.069  0.755  0.079  1.0
  I  I7  1  0.681  0.926  0.352  1.0
  I  I8  1  0.882  0.377  0.538  1.0
  I  I9  1  0.381  0.619  0.750  1.0
  I  I10  1  0.074  0.319  0.148  1.0
  I  I11  1  0.245  0.931  0.421  1.0
  I  I12  1  0.623  0.118  0.962  1.0
  I  I13  1  0.377  0.882  0.038  1.0
  I  I14  1  0.755  0.069  0.579  1.0
  I  I15  1  0.926  0.681  0.852  1.0
  I  I16  1  0.619  0.381  0.250  1.0
  I  I17  1  0.118  0.623  0.462  1.0
  I  I18  1  0.319  0.074  0.648  1.0
  I  I19  1  0.931  0.245  0.921  1.0
[/CIF]
.
The material structure described by Ba2LaI7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to one I(4), two equivalent I(1), two equivalent I(3), and three equivalent I(2) atoms. La(1) is bonded in a 9-coordinate geometry to one I(4), two equivalent I(2), two equivalent I(3), and four equivalent I(1) atoms. There are four inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Ba(1) and two equivalent La(1) atoms to form IBa2La2 tetrahedra that share corners with four equivalent I(2)Ba3La tetrahedra, corners with six equivalent I(1)Ba2La2 tetrahedra,  an edgeedge with one I(1)Ba2La2 tetrahedra, and edges with three equivalent I(2)Ba3La tetrahedra. In the second I site, I(2) is bonded to three equivalent Ba(1) and one La(1) atom to form IBa3La tetrahedra that share corners with four equivalent I(1)Ba2La2 tetrahedra, corners with five equivalent I(2)Ba3La tetrahedra,  an edgeedge with one I(2)Ba3La tetrahedra, and edges with three equivalent I(1)Ba2La2 tetrahedra. In the third I site, I(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent 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. is represented by the CIF card [CIF]
data_Ba2LaI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.348
_cell_length_b   10.348
_cell_length_c   11.734
_cell_angle_alpha   60.756
_cell_angle_beta   60.756
_cell_angle_gamma   53.364
_symmetry_Int_Tables_number   1
_cell_volume   844.191
_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  0.295  0.307  0.307  1.0
  Ba  Ba1  1  0.693  0.705  0.193  1.0
  Ba  Ba2  1  0.307  0.295  0.807  1.0
  Ba  Ba3  1  0.705  0.693  0.693  1.0
  La  La4  1  0.013  0.987  0.750  1.0
  La  La5  1  0.987  0.013  0.250  1.0
  I  I6  1  0.069  0.755  0.079  1.0
  I  I7  1  0.681  0.926  0.352  1.0
  I  I8  1  0.882  0.377  0.538  1.0
  I  I9  1  0.381  0.619  0.750  1.0
  I  I10  1  0.074  0.319  0.148  1.0
  I  I11  1  0.245  0.931  0.421  1.0
  I  I12  1  0.623  0.118  0.962  1.0
  I  I13  1  0.377  0.882  0.038  1.0
  I  I14  1  0.755  0.069  0.579  1.0
  I  I15  1  0.926  0.681  0.852  1.0
  I  I16  1  0.619  0.381  0.250  1.0
  I  I17  1  0.118  0.623  0.462  1.0
  I  I18  1  0.319  0.074  0.648  1.0
  I  I19  1  0.931  0.245  0.921  1.0
[/CIF]
.