The structure described by Ba5La2Cl16 crystallizes in the orthorhombic Ccce space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms to form distorted BaCl8 hexagonal bipyramids that share corners with two equivalent La(1)Cl6 octahedra and edges with two equivalent La(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(4), and four equivalent Cl(3) atoms. In the third Ba site, Ba(3) is bonded in a distorted body-centered cubic geometry to four equivalent Cl(2) and four equivalent Cl(3) atoms. La(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(4) atoms to form LaCl6 octahedra that share corners with two equivalent Ba(1)Cl8 hexagonal bipyramids and edges with two equivalent Ba(1)Cl8 hexagonal bipyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(3) is bonded to one Ba(1), one Ba(3), and two equivalent Ba(2) atoms to form a mixture of distorted corner and edge-sharing ClBa4 tetrahedra. In the second Cl site, Cl(4) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. In the third Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fourth Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(3), and one La(1) atom. is represented by the CIF file [CIF]
data_Ba5La2Cl16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.563
_cell_length_b   9.563
_cell_length_c   19.333
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.467
_symmetry_Int_Tables_number   1
_cell_volume   1596.257
_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  0.000  0.500  0.133  1.0
  Ba  Ba1  1  0.000  0.500  0.633  1.0
  Ba  Ba2  1  0.500  0.500  0.224  1.0
  Ba  Ba3  1  0.500  0.500  0.776  1.0
  Ba  Ba4  1  0.000  0.000  0.276  1.0
  Ba  Ba5  1  0.000  0.000  0.000  1.0
  Ba  Ba6  1  0.500  0.500  0.500  1.0
  Ba  Ba7  1  0.000  0.000  0.724  1.0
  Ba  Ba8  1  0.500  0.000  0.867  1.0
  Ba  Ba9  1  0.500  0.000  0.367  1.0
  La  La10  1  0.000  0.500  0.882  1.0
  La  La11  1  0.000  0.500  0.382  1.0
  La  La12  1  0.500  0.000  0.118  1.0
  La  La13  1  0.500  0.000  0.618  1.0
  Cl  Cl14  1  0.972  0.301  0.774  1.0
  Cl  Cl15  1  0.801  0.472  0.274  1.0
  Cl  Cl16  1  0.828  0.519  0.493  1.0
  Cl  Cl17  1  0.019  0.328  0.993  1.0
  Cl  Cl18  1  0.378  0.274  0.349  1.0
  Cl  Cl19  1  0.274  0.378  0.651  1.0
  Cl  Cl20  1  0.774  0.878  0.849  1.0
  Cl  Cl21  1  0.878  0.774  0.151  1.0
  Cl  Cl22  1  0.981  0.672  0.993  1.0
  Cl  Cl23  1  0.172  0.481  0.493  1.0
  Cl  Cl24  1  0.028  0.699  0.774  1.0
  Cl  Cl25  1  0.199  0.528  0.274  1.0
  Cl  Cl26  1  0.629  0.326  0.115  1.0
  Cl  Cl27  1  0.129  0.826  0.385  1.0
  Cl  Cl28  1  0.326  0.629  0.885  1.0
  Cl  Cl29  1  0.826  0.129  0.615  1.0
  Cl  Cl30  1  0.674  0.371  0.885  1.0
  Cl  Cl31  1  0.371  0.674  0.115  1.0
  Cl  Cl32  1  0.871  0.174  0.385  1.0
  Cl  Cl33  1  0.174  0.871  0.615  1.0
  Cl  Cl34  1  0.472  0.801  0.726  1.0
  Cl  Cl35  1  0.301  0.972  0.226  1.0
  Cl  Cl36  1  0.519  0.828  0.507  1.0
  Cl  Cl37  1  0.328  0.019  0.007  1.0
  Cl  Cl38  1  0.726  0.622  0.651  1.0
  Cl  Cl39  1  0.622  0.726  0.349  1.0
  Cl  Cl40  1  0.122  0.226  0.151  1.0
  Cl  Cl41  1  0.226  0.122  0.849  1.0
  Cl  Cl42  1  0.481  0.172  0.507  1.0
  Cl  Cl43  1  0.672  0.981  0.007  1.0
  Cl  Cl44  1  0.699  0.028  0.226  1.0
  Cl  Cl45  1  0.528  0.199  0.726  1.0
[/CIF]
.
The structure described by Ba5La2Cl16 crystallizes in the orthorhombic Ccce space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms to form distorted BaCl8 hexagonal bipyramids that share corners with two equivalent La(1)Cl6 octahedra and edges with two equivalent La(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(4), and four equivalent Cl(3) atoms. In the third Ba site, Ba(3) is bonded in a distorted body-centered cubic geometry to four equivalent Cl(2) and four equivalent Cl(3) atoms. La(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(4) atoms to form LaCl6 octahedra that share corners with two equivalent Ba(1)Cl8 hexagonal bipyramids and edges with two equivalent Ba(1)Cl8 hexagonal bipyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(3) is bonded to one Ba(1), one Ba(3), and two equivalent Ba(2) atoms to form a mixture of distorted corner and edge-sharing ClBa4 tetrahedra. In the second Cl site, Cl(4) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. In the third Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fourth Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(3), and one La(1) atom. is represented by the CIF file [CIF]
data_Ba5La2Cl16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.563
_cell_length_b   9.563
_cell_length_c   19.333
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.467
_symmetry_Int_Tables_number   1
_cell_volume   1596.257
_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  0.000  0.500  0.133  1.0
  Ba  Ba1  1  0.000  0.500  0.633  1.0
  Ba  Ba2  1  0.500  0.500  0.224  1.0
  Ba  Ba3  1  0.500  0.500  0.776  1.0
  Ba  Ba4  1  0.000  0.000  0.276  1.0
  Ba  Ba5  1  0.000  0.000  0.000  1.0
  Ba  Ba6  1  0.500  0.500  0.500  1.0
  Ba  Ba7  1  0.000  0.000  0.724  1.0
  Ba  Ba8  1  0.500  0.000  0.867  1.0
  Ba  Ba9  1  0.500  0.000  0.367  1.0
  La  La10  1  0.000  0.500  0.882  1.0
  La  La11  1  0.000  0.500  0.382  1.0
  La  La12  1  0.500  0.000  0.118  1.0
  La  La13  1  0.500  0.000  0.618  1.0
  Cl  Cl14  1  0.972  0.301  0.774  1.0
  Cl  Cl15  1  0.801  0.472  0.274  1.0
  Cl  Cl16  1  0.828  0.519  0.493  1.0
  Cl  Cl17  1  0.019  0.328  0.993  1.0
  Cl  Cl18  1  0.378  0.274  0.349  1.0
  Cl  Cl19  1  0.274  0.378  0.651  1.0
  Cl  Cl20  1  0.774  0.878  0.849  1.0
  Cl  Cl21  1  0.878  0.774  0.151  1.0
  Cl  Cl22  1  0.981  0.672  0.993  1.0
  Cl  Cl23  1  0.172  0.481  0.493  1.0
  Cl  Cl24  1  0.028  0.699  0.774  1.0
  Cl  Cl25  1  0.199  0.528  0.274  1.0
  Cl  Cl26  1  0.629  0.326  0.115  1.0
  Cl  Cl27  1  0.129  0.826  0.385  1.0
  Cl  Cl28  1  0.326  0.629  0.885  1.0
  Cl  Cl29  1  0.826  0.129  0.615  1.0
  Cl  Cl30  1  0.674  0.371  0.885  1.0
  Cl  Cl31  1  0.371  0.674  0.115  1.0
  Cl  Cl32  1  0.871  0.174  0.385  1.0
  Cl  Cl33  1  0.174  0.871  0.615  1.0
  Cl  Cl34  1  0.472  0.801  0.726  1.0
  Cl  Cl35  1  0.301  0.972  0.226  1.0
  Cl  Cl36  1  0.519  0.828  0.507  1.0
  Cl  Cl37  1  0.328  0.019  0.007  1.0
  Cl  Cl38  1  0.726  0.622  0.651  1.0
  Cl  Cl39  1  0.622  0.726  0.349  1.0
  Cl  Cl40  1  0.122  0.226  0.151  1.0
  Cl  Cl41  1  0.226  0.122  0.849  1.0
  Cl  Cl42  1  0.481  0.172  0.507  1.0
  Cl  Cl43  1  0.672  0.981  0.007  1.0
  Cl  Cl44  1  0.699  0.028  0.226  1.0
  Cl  Cl45  1  0.528  0.199  0.726  1.0
[/CIF]
.