The material described by La6Fe11Al3 crystallizes in the tetragonal I4cm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one Fe(1), two equivalent Al(1), and three equivalent Al(2) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one Fe(2), three equivalent Fe(5), and two equivalent Al(1) atoms. In the third La site, La(3) is bonded in a 13-coordinate geometry to four equivalent Fe(2), four equivalent Fe(3), four equivalent Fe(5), and one Al(1) atom. In the fourth La site, La(4) is bonded in a 13-coordinate geometry to four equivalent Fe(1), four equivalent Fe(3), one Al(1), and four equivalent Al(2) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to one La(1), two equivalent La(4), one Fe(2), one Fe(4), four equivalent Fe(3), and three equivalent Al(2) atoms. In the second Fe site, Fe(2) is bonded to one La(2), two equivalent La(3), one Fe(1), one Fe(4), three equivalent Fe(5), and four equivalent Fe(3) atoms to form distorted FeLa3Fe9 cuboctahedra that share corners with two equivalent Fe(2)La3Fe9 cuboctahedra, corners with five equivalent Fe(5)La5Fe7 cuboctahedra, edges with four equivalent Fe(3)La2AlFe9 cuboctahedra, faces with two equivalent Fe(4)Al2Fe10 cuboctahedra, faces with three equivalent Fe(5)La5Fe7 cuboctahedra, faces with five equivalent Fe(2)La3Fe9 cuboctahedra, and faces with six equivalent Fe(3)La2AlFe9 cuboctahedra. In the third Fe site, Fe(3) is bonded to one La(3), one La(4), one Fe(4), one Fe(5), two equivalent Fe(1), two equivalent Fe(2), three equivalent Fe(3), and one Al(2) atom to form FeLa2AlFe9 cuboctahedra that share  a cornercorner with one Fe(4)Al2Fe10 cuboctahedra, corners with two equivalent Fe(5)La5Fe7 cuboctahedra, corners with three equivalent Fe(3)La2AlFe9 cuboctahedra, edges with two equivalent Fe(2)La3Fe9 cuboctahedra, faces with two equivalent Fe(4)Al2Fe10 cuboctahedra, faces with three equivalent Fe(2)La3Fe9 cuboctahedra, faces with four equivalent Fe(5)La5Fe7 cuboctahedra, and faces with seven equivalent Fe(3)La2AlFe9 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), four equivalent Fe(3), and two equivalent Al(2) atoms to form FeAl2Fe10 cuboctahedra that share corners with two equivalent Fe(5)La5Fe7 cuboctahedra, corners with four equivalent Fe(3)La2AlFe9 cuboctahedra, faces with two equivalent Fe(5)La5Fe7 cuboctahedra, faces with four equivalent Fe(2)La3Fe9 cuboctahedra, and faces with eight equivalent Fe(3)La2AlFe9 cuboctahedra. In the fifth Fe site, Fe(5) is bonded to two equivalent La(3), three equivalent La(2), one Fe(4), one Fe(5), two equivalent Fe(3), and three equivalent Fe(2) atoms to form distorted FeLa5Fe7 cuboctahedra that share  a cornercorner with one Fe(4)Al2Fe10 cuboctahedra, corners with two equivalent Fe(5)La5Fe7 cuboctahedra, corners with four equivalent Fe(3)La2AlFe9 cuboctahedra, corners with five equivalent Fe(2)La3Fe9 cuboctahedra,  a faceface with one Fe(4)Al2Fe10 cuboctahedra, faces with three equivalent Fe(2)La3Fe9 cuboctahedra, faces with five equivalent Fe(5)La5Fe7 cuboctahedra, and faces with eight equivalent Fe(3)La2AlFe9 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted q6 geometry to one La(3), one La(4), four equivalent La(1), and four equivalent La(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent La(4), three equivalent La(1), one Fe(4), two equivalent Fe(3), three equivalent Fe(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_La6Al3Fe11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.150
_cell_length_b   8.150
_cell_length_c   13.257
_cell_angle_alpha   72.097
_cell_angle_beta   72.097
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   793.047
_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
  La  La0  1  0.359  0.859  0.622  1.0
  La  La1  1  0.020  0.520  0.622  1.0
  La  La2  1  0.520  0.359  0.622  1.0
  La  La3  1  0.859  0.020  0.622  1.0
  La  La4  1  0.647  0.147  0.370  1.0
  La  La5  1  0.983  0.483  0.370  1.0
  La  La6  1  0.483  0.647  0.370  1.0
  La  La7  1  0.147  0.983  0.370  1.0
  La  La8  1  0.395  0.395  0.211  1.0
  La  La9  1  0.895  0.895  0.211  1.0
  La  La10  1  0.606  0.606  0.788  1.0
  La  La11  1  0.106  0.106  0.788  1.0
  Al  Al12  1  0.750  0.750  0.500  1.0
  Al  Al13  1  0.250  0.250  0.500  1.0
  Al  Al14  1  0.473  0.973  0.817  1.0
  Al  Al15  1  0.709  0.209  0.817  1.0
  Al  Al16  1  0.209  0.473  0.817  1.0
  Al  Al17  1  0.973  0.709  0.817  1.0
  Fe  Fe18  1  0.231  0.731  0.890  1.0
  Fe  Fe19  1  0.879  0.379  0.890  1.0
  Fe  Fe20  1  0.379  0.231  0.890  1.0
  Fe  Fe21  1  0.731  0.879  0.890  1.0
  Fe  Fe22  1  0.764  0.264  0.115  1.0
  Fe  Fe23  1  0.121  0.621  0.115  1.0
  Fe  Fe24  1  0.621  0.764  0.115  1.0
  Fe  Fe25  1  0.264  0.121  0.115  1.0
  Fe  Fe26  1  0.710  0.568  0.001  1.0
  Fe  Fe27  1  0.289  0.431  0.001  1.0
  Fe  Fe28  1  0.789  0.068  0.001  1.0
  Fe  Fe29  1  0.210  0.931  0.001  1.0
  Fe  Fe30  1  0.568  0.289  0.001  1.0
  Fe  Fe31  1  0.431  0.710  0.001  1.0
  Fe  Fe32  1  0.068  0.210  0.001  1.0
  Fe  Fe33  1  0.931  0.789  0.001  1.0
  Fe  Fe34  1  0.999  0.499  0.002  1.0
  Fe  Fe35  1  0.499  0.999  0.002  1.0
  Fe  Fe36  1  0.522  0.022  0.183  1.0
  Fe  Fe37  1  0.295  0.795  0.183  1.0
  Fe  Fe38  1  0.795  0.522  0.183  1.0
  Fe  Fe39  1  0.022  0.295  0.183  1.0
[/CIF]
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The material described by La6Fe11Al3 crystallizes in the tetragonal I4cm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one Fe(1), two equivalent Al(1), and three equivalent Al(2) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one Fe(2), three equivalent Fe(5), and two equivalent Al(1) atoms. In the third La site, La(3) is bonded in a 13-coordinate geometry to four equivalent Fe(2), four equivalent Fe(3), four equivalent Fe(5), and one Al(1) atom. In the fourth La site, La(4) is bonded in a 13-coordinate geometry to four equivalent Fe(1), four equivalent Fe(3), one Al(1), and four equivalent Al(2) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to one La(1), two equivalent La(4), one Fe(2), one Fe(4), four equivalent Fe(3), and three equivalent Al(2) atoms. In the second Fe site, Fe(2) is bonded to one La(2), two equivalent La(3), one Fe(1), one Fe(4), three equivalent Fe(5), and four equivalent Fe(3) atoms to form distorted FeLa3Fe9 cuboctahedra that share corners with two equivalent Fe(2)La3Fe9 cuboctahedra, corners with five equivalent Fe(5)La5Fe7 cuboctahedra, edges with four equivalent Fe(3)La2AlFe9 cuboctahedra, faces with two equivalent Fe(4)Al2Fe10 cuboctahedra, faces with three equivalent Fe(5)La5Fe7 cuboctahedra, faces with five equivalent Fe(2)La3Fe9 cuboctahedra, and faces with six equivalent Fe(3)La2AlFe9 cuboctahedra. In the third Fe site, Fe(3) is bonded to one La(3), one La(4), one Fe(4), one Fe(5), two equivalent Fe(1), two equivalent Fe(2), three equivalent Fe(3), and one Al(2) atom to form FeLa2AlFe9 cuboctahedra that share  a cornercorner with one Fe(4)Al2Fe10 cuboctahedra, corners with two equivalent Fe(5)La5Fe7 cuboctahedra, corners with three equivalent Fe(3)La2AlFe9 cuboctahedra, edges with two equivalent Fe(2)La3Fe9 cuboctahedra, faces with two equivalent Fe(4)Al2Fe10 cuboctahedra, faces with three equivalent Fe(2)La3Fe9 cuboctahedra, faces with four equivalent Fe(5)La5Fe7 cuboctahedra, and faces with seven equivalent Fe(3)La2AlFe9 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), four equivalent Fe(3), and two equivalent Al(2) atoms to form FeAl2Fe10 cuboctahedra that share corners with two equivalent Fe(5)La5Fe7 cuboctahedra, corners with four equivalent Fe(3)La2AlFe9 cuboctahedra, faces with two equivalent Fe(5)La5Fe7 cuboctahedra, faces with four equivalent Fe(2)La3Fe9 cuboctahedra, and faces with eight equivalent Fe(3)La2AlFe9 cuboctahedra. In the fifth Fe site, Fe(5) is bonded to two equivalent La(3), three equivalent La(2), one Fe(4), one Fe(5), two equivalent Fe(3), and three equivalent Fe(2) atoms to form distorted FeLa5Fe7 cuboctahedra that share  a cornercorner with one Fe(4)Al2Fe10 cuboctahedra, corners with two equivalent Fe(5)La5Fe7 cuboctahedra, corners with four equivalent Fe(3)La2AlFe9 cuboctahedra, corners with five equivalent Fe(2)La3Fe9 cuboctahedra,  a faceface with one Fe(4)Al2Fe10 cuboctahedra, faces with three equivalent Fe(2)La3Fe9 cuboctahedra, faces with five equivalent Fe(5)La5Fe7 cuboctahedra, and faces with eight equivalent Fe(3)La2AlFe9 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted q6 geometry to one La(3), one La(4), four equivalent La(1), and four equivalent La(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent La(4), three equivalent La(1), one Fe(4), two equivalent Fe(3), three equivalent Fe(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_La6Al3Fe11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.150
_cell_length_b   8.150
_cell_length_c   13.257
_cell_angle_alpha   72.097
_cell_angle_beta   72.097
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   793.047
_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
  La  La0  1  0.359  0.859  0.622  1.0
  La  La1  1  0.020  0.520  0.622  1.0
  La  La2  1  0.520  0.359  0.622  1.0
  La  La3  1  0.859  0.020  0.622  1.0
  La  La4  1  0.647  0.147  0.370  1.0
  La  La5  1  0.983  0.483  0.370  1.0
  La  La6  1  0.483  0.647  0.370  1.0
  La  La7  1  0.147  0.983  0.370  1.0
  La  La8  1  0.395  0.395  0.211  1.0
  La  La9  1  0.895  0.895  0.211  1.0
  La  La10  1  0.606  0.606  0.788  1.0
  La  La11  1  0.106  0.106  0.788  1.0
  Al  Al12  1  0.750  0.750  0.500  1.0
  Al  Al13  1  0.250  0.250  0.500  1.0
  Al  Al14  1  0.473  0.973  0.817  1.0
  Al  Al15  1  0.709  0.209  0.817  1.0
  Al  Al16  1  0.209  0.473  0.817  1.0
  Al  Al17  1  0.973  0.709  0.817  1.0
  Fe  Fe18  1  0.231  0.731  0.890  1.0
  Fe  Fe19  1  0.879  0.379  0.890  1.0
  Fe  Fe20  1  0.379  0.231  0.890  1.0
  Fe  Fe21  1  0.731  0.879  0.890  1.0
  Fe  Fe22  1  0.764  0.264  0.115  1.0
  Fe  Fe23  1  0.121  0.621  0.115  1.0
  Fe  Fe24  1  0.621  0.764  0.115  1.0
  Fe  Fe25  1  0.264  0.121  0.115  1.0
  Fe  Fe26  1  0.710  0.568  0.001  1.0
  Fe  Fe27  1  0.289  0.431  0.001  1.0
  Fe  Fe28  1  0.789  0.068  0.001  1.0
  Fe  Fe29  1  0.210  0.931  0.001  1.0
  Fe  Fe30  1  0.568  0.289  0.001  1.0
  Fe  Fe31  1  0.431  0.710  0.001  1.0
  Fe  Fe32  1  0.068  0.210  0.001  1.0
  Fe  Fe33  1  0.931  0.789  0.001  1.0
  Fe  Fe34  1  0.999  0.499  0.002  1.0
  Fe  Fe35  1  0.499  0.999  0.002  1.0
  Fe  Fe36  1  0.522  0.022  0.183  1.0
  Fe  Fe37  1  0.295  0.795  0.183  1.0
  Fe  Fe38  1  0.795  0.522  0.183  1.0
  Fe  Fe39  1  0.022  0.295  0.183  1.0
[/CIF]
.