The material described by La10Al5I8 crystallizes in the monoclinic C2/m space group. There are five inequivalent La sites. In the first La site, La(1) is bonded to one Al(1), two equivalent Al(2), one I(2), one I(3), and two equivalent I(1) atoms to form distorted LaAl3I4 pentagonal bipyramids that share corners with two equivalent La(5)AlI5 octahedra,  an edgeedge with one La(5)AlI5 octahedra, edges with two equivalent La(3)Al2I4 octahedra, and edges with two equivalent La(1)Al3I4 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 6°. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent Al(2), four equivalent Al(1), one I(3), and two equivalent I(2) atoms. In the third La site, La(3) is bonded to two equivalent Al(3), one I(1), one I(4), and two equivalent I(2) atoms to form LaAl2I4 octahedra that share  a cornercorner with one La(5)AlI5 octahedra, corners with two equivalent La(3)Al2I4 octahedra, edges with three equivalent La(3)Al2I4 octahedra, edges with four equivalent La(5)AlI5 octahedra, and edges with two equivalent La(1)Al3I4 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth La site, La(4) is bonded in a 6-coordinate geometry to one Al(1), three equivalent Al(2), and two equivalent I(3) atoms. In the fifth La site, La(5) is bonded to one Al(3), two equivalent I(1), and three equivalent I(4) atoms to form LaAlI5 octahedra that share  a cornercorner with one La(3)Al2I4 octahedra,  a cornercorner with one La(5)AlI5 octahedra, corners with two equivalent La(1)Al3I4 pentagonal bipyramids, edges with four equivalent La(3)Al2I4 octahedra, edges with four equivalent La(5)AlI5 octahedra, and  an edgeedge with one La(1)Al3I4 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to one La(1), one La(4), four equivalent La(2), one Al(1), and two equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent La(1), two equivalent La(2), three equivalent La(4), and two equivalent Al(1) atoms. In the third Al site, Al(3) is bonded to two equivalent La(5) and four equivalent La(3) atoms to form AlLa6 octahedra that share corners with four equivalent I(2)La5 square pyramids, edges with two equivalent Al(3)La6 octahedra, edges with two equivalent I(2)La5 square pyramids, and edges with four equivalent I(1)La5 square pyramids. There are four inequivalent I sites. In the first I site, I(2) is bonded to one La(1), two equivalent La(2), and two equivalent La(3) atoms to form ILa5 square pyramids that share corners with two equivalent Al(3)La6 octahedra,  an edgeedge with one Al(3)La6 octahedra, edges with two equivalent I(1)La5 square pyramids, and edges with two equivalent I(2)La5 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the second I site, I(3) is bonded in a 4-coordinate geometry to one La(1), one La(2), and two equivalent La(4) atoms. In the third I site, I(4) is bonded in a see-saw-like geometry to one La(3) and three equivalent La(5) atoms. In the fourth I site, I(1) is bonded to one La(3), two equivalent La(1), and two equivalent La(5) atoms to form ILa5 square pyramids that share edges with two equivalent Al(3)La6 octahedra, edges with two equivalent I(1)La5 square pyramids, and edges with two equivalent I(2)La5 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_La10Al5I8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.234
_cell_length_b   10.234
_cell_length_c   18.212
_cell_angle_alpha   84.074
_cell_angle_beta   84.074
_cell_angle_gamma   24.854
_symmetry_Int_Tables_number   1
_cell_volume   797.260
_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
  La  La0  1  0.872  0.872  0.325  1.0
  La  La1  1  0.128  0.128  0.675  1.0
  La  La2  1  0.537  0.537  0.390  1.0
  La  La3  1  0.463  0.463  0.610  1.0
  La  La4  1  0.516  0.516  0.112  1.0
  La  La5  1  0.484  0.484  0.888  1.0
  La  La6  1  0.789  0.789  0.567  1.0
  La  La7  1  0.211  0.211  0.433  1.0
  La  La8  1  0.853  0.853  0.044  1.0
  La  La9  1  0.147  0.147  0.956  1.0
  Al  Al10  1  0.939  0.939  0.481  1.0
  Al  Al11  1  0.061  0.061  0.519  1.0
  Al  Al12  1  0.628  0.628  0.547  1.0
  Al  Al13  1  0.372  0.372  0.453  1.0
  Al  Al14  1  0.000  0.000  0.000  1.0
  I  I15  1  0.354  0.354  0.180  1.0
  I  I16  1  0.646  0.646  0.820  1.0
  I  I17  1  0.970  0.970  0.750  1.0
  I  I18  1  0.030  0.030  0.250  1.0
  I  I19  1  0.704  0.704  0.301  1.0
  I  I20  1  0.296  0.296  0.699  1.0
  I  I21  1  0.682  0.682  0.081  1.0
  I  I22  1  0.318  0.318  0.919  1.0
[/CIF]
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The material described by La10Al5I8 crystallizes in the monoclinic C2/m space group. There are five inequivalent La sites. In the first La site, La(1) is bonded to one Al(1), two equivalent Al(2), one I(2), one I(3), and two equivalent I(1) atoms to form distorted LaAl3I4 pentagonal bipyramids that share corners with two equivalent La(5)AlI5 octahedra,  an edgeedge with one La(5)AlI5 octahedra, edges with two equivalent La(3)Al2I4 octahedra, and edges with two equivalent La(1)Al3I4 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 6°. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent Al(2), four equivalent Al(1), one I(3), and two equivalent I(2) atoms. In the third La site, La(3) is bonded to two equivalent Al(3), one I(1), one I(4), and two equivalent I(2) atoms to form LaAl2I4 octahedra that share  a cornercorner with one La(5)AlI5 octahedra, corners with two equivalent La(3)Al2I4 octahedra, edges with three equivalent La(3)Al2I4 octahedra, edges with four equivalent La(5)AlI5 octahedra, and edges with two equivalent La(1)Al3I4 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth La site, La(4) is bonded in a 6-coordinate geometry to one Al(1), three equivalent Al(2), and two equivalent I(3) atoms. In the fifth La site, La(5) is bonded to one Al(3), two equivalent I(1), and three equivalent I(4) atoms to form LaAlI5 octahedra that share  a cornercorner with one La(3)Al2I4 octahedra,  a cornercorner with one La(5)AlI5 octahedra, corners with two equivalent La(1)Al3I4 pentagonal bipyramids, edges with four equivalent La(3)Al2I4 octahedra, edges with four equivalent La(5)AlI5 octahedra, and  an edgeedge with one La(1)Al3I4 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to one La(1), one La(4), four equivalent La(2), one Al(1), and two equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent La(1), two equivalent La(2), three equivalent La(4), and two equivalent Al(1) atoms. In the third Al site, Al(3) is bonded to two equivalent La(5) and four equivalent La(3) atoms to form AlLa6 octahedra that share corners with four equivalent I(2)La5 square pyramids, edges with two equivalent Al(3)La6 octahedra, edges with two equivalent I(2)La5 square pyramids, and edges with four equivalent I(1)La5 square pyramids. There are four inequivalent I sites. In the first I site, I(2) is bonded to one La(1), two equivalent La(2), and two equivalent La(3) atoms to form ILa5 square pyramids that share corners with two equivalent Al(3)La6 octahedra,  an edgeedge with one Al(3)La6 octahedra, edges with two equivalent I(1)La5 square pyramids, and edges with two equivalent I(2)La5 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the second I site, I(3) is bonded in a 4-coordinate geometry to one La(1), one La(2), and two equivalent La(4) atoms. In the third I site, I(4) is bonded in a see-saw-like geometry to one La(3) and three equivalent La(5) atoms. In the fourth I site, I(1) is bonded to one La(3), two equivalent La(1), and two equivalent La(5) atoms to form ILa5 square pyramids that share edges with two equivalent Al(3)La6 octahedra, edges with two equivalent I(1)La5 square pyramids, and edges with two equivalent I(2)La5 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_La10Al5I8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.234
_cell_length_b   10.234
_cell_length_c   18.212
_cell_angle_alpha   84.074
_cell_angle_beta   84.074
_cell_angle_gamma   24.854
_symmetry_Int_Tables_number   1
_cell_volume   797.260
_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
  La  La0  1  0.872  0.872  0.325  1.0
  La  La1  1  0.128  0.128  0.675  1.0
  La  La2  1  0.537  0.537  0.390  1.0
  La  La3  1  0.463  0.463  0.610  1.0
  La  La4  1  0.516  0.516  0.112  1.0
  La  La5  1  0.484  0.484  0.888  1.0
  La  La6  1  0.789  0.789  0.567  1.0
  La  La7  1  0.211  0.211  0.433  1.0
  La  La8  1  0.853  0.853  0.044  1.0
  La  La9  1  0.147  0.147  0.956  1.0
  Al  Al10  1  0.939  0.939  0.481  1.0
  Al  Al11  1  0.061  0.061  0.519  1.0
  Al  Al12  1  0.628  0.628  0.547  1.0
  Al  Al13  1  0.372  0.372  0.453  1.0
  Al  Al14  1  0.000  0.000  0.000  1.0
  I  I15  1  0.354  0.354  0.180  1.0
  I  I16  1  0.646  0.646  0.820  1.0
  I  I17  1  0.970  0.970  0.750  1.0
  I  I18  1  0.030  0.030  0.250  1.0
  I  I19  1  0.704  0.704  0.301  1.0
  I  I20  1  0.296  0.296  0.699  1.0
  I  I21  1  0.682  0.682  0.081  1.0
  I  I22  1  0.318  0.318  0.919  1.0
[/CIF]
.