The crystal structure described by Ba(LaI4)2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to two equivalent I(2), two equivalent I(3), and eight equivalent I(1) atoms to form distorted face-sharing BaI12 cuboctahedra. La(1) is bonded in a 8-coordinate geometry to two equivalent I(2), two equivalent I(3), and four equivalent I(1) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted water-like geometry to two equivalent Ba(1) and two equivalent La(1) atoms. In the second I site, I(2) is bonded in a 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 distorted trigonal planar geometry to one Ba(1) and two equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(LaI4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.865
_cell_length_b   8.865
_cell_length_c   6.382
_cell_angle_alpha   82.123
_cell_angle_beta   82.123
_cell_angle_gamma   110.996
_symmetry_Int_Tables_number   1
_cell_volume   454.310
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  La  La1  1  0.319  0.681  0.500  1.0
  La  La2  1  0.681  0.319  0.500  1.0
  I  I3  1  0.940  0.676  0.578  1.0
  I  I4  1  0.676  0.940  0.578  1.0
  I  I5  1  0.619  0.619  0.195  1.0
  I  I6  1  0.754  0.246  0.000  1.0
  I  I7  1  0.246  0.754  0.000  1.0
  I  I8  1  0.381  0.381  0.805  1.0
  I  I9  1  0.324  0.060  0.422  1.0
  I  I10  1  0.060  0.324  0.422  1.0
[/CIF]
.
The crystal structure described by Ba(LaI4)2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to two equivalent I(2), two equivalent I(3), and eight equivalent I(1) atoms to form distorted face-sharing BaI12 cuboctahedra. La(1) is bonded in a 8-coordinate geometry to two equivalent I(2), two equivalent I(3), and four equivalent I(1) atoms. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted water-like geometry to two equivalent Ba(1) and two equivalent La(1) atoms. In the second I site, I(2) is bonded in a 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 distorted trigonal planar geometry to one Ba(1) and two equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(LaI4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.865
_cell_length_b   8.865
_cell_length_c   6.382
_cell_angle_alpha   82.123
_cell_angle_beta   82.123
_cell_angle_gamma   110.996
_symmetry_Int_Tables_number   1
_cell_volume   454.310
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  La  La1  1  0.319  0.681  0.500  1.0
  La  La2  1  0.681  0.319  0.500  1.0
  I  I3  1  0.940  0.676  0.578  1.0
  I  I4  1  0.676  0.940  0.578  1.0
  I  I5  1  0.619  0.619  0.195  1.0
  I  I6  1  0.754  0.246  0.000  1.0
  I  I7  1  0.246  0.754  0.000  1.0
  I  I8  1  0.381  0.381  0.805  1.0
  I  I9  1  0.324  0.060  0.422  1.0
  I  I10  1  0.060  0.324  0.422  1.0
[/CIF]
.