The material structure described by La6Fe9Al4P crystallizes in the tetragonal I4/mcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one Fe(2), three equivalent Al(1), and two equivalent P(1) atoms. In the second La site, La(2) is bonded in a 13-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), four equivalent Al(1), and one P(1) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent La(2), one Fe(3), three equivalent Fe(1), four equivalent Fe(2), and two equivalent Al(1) atoms to form FeLa2Al2Fe8 cuboctahedra that share  a cornercorner with one Fe(3)Al4Fe8 cuboctahedra, corners with three equivalent Fe(1)La2Al2Fe8 cuboctahedra, faces with two equivalent Fe(3)Al4Fe8 cuboctahedra, and faces with seven equivalent Fe(1)La2Al2Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to one La(1), two equivalent La(2), one Fe(2), one Fe(3), four equivalent Fe(1), and three equivalent Al(1) atoms. In the third Fe site, Fe(3) is bonded to four equivalent Fe(1), four equivalent Fe(2), and four equivalent Al(1) atoms to form a mixture of face and corner-sharing FeAl4Fe8 cuboctahedra. Al(1) is bonded in a 12-coordinate geometry to two equivalent La(2), three equivalent La(1), one Fe(3), two equivalent Fe(1), three equivalent Fe(2), and one Al(1) atom. P(1) is bonded in a distorted q6 geometry to two equivalent La(2) and eight equivalent La(1) atoms. is represented by the CIF file [CIF]
data_La6Al4Fe9P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.055
_cell_length_b   13.055
_cell_length_c   13.055
_cell_angle_alpha   143.725
_cell_angle_beta   143.725
_cell_angle_gamma   52.239
_symmetry_Int_Tables_number   1
_cell_volume   774.424
_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  0.862  0.362  0.842  1.0
  La  La1  1  0.138  0.638  0.158  1.0
  La  La2  1  0.520  0.020  0.158  1.0
  La  La3  1  0.362  0.520  0.500  1.0
  La  La4  1  0.980  0.138  0.500  1.0
  La  La5  1  0.480  0.980  0.842  1.0
  La  La6  1  0.638  0.480  0.500  1.0
  La  La7  1  0.020  0.862  0.500  1.0
  La  La8  1  0.108  0.108  0.000  1.0
  La  La9  1  0.892  0.892  0.000  1.0
  La  La10  1  0.392  0.392  0.000  1.0
  La  La11  1  0.608  0.608  0.000  1.0
  Al  Al12  1  0.211  0.711  0.737  1.0
  Al  Al13  1  0.789  0.289  0.263  1.0
  Al  Al14  1  0.974  0.474  0.263  1.0
  Al  Al15  1  0.711  0.974  0.500  1.0
  Al  Al16  1  0.526  0.789  0.500  1.0
  Al  Al17  1  0.026  0.526  0.737  1.0
  Al  Al18  1  0.289  0.026  0.500  1.0
  Al  Al19  1  0.474  0.211  0.500  1.0
  Fe  Fe20  1  0.210  0.068  0.278  1.0
  Fe  Fe21  1  0.790  0.932  0.722  1.0
  Fe  Fe22  1  0.068  0.790  0.858  1.0
  Fe  Fe23  1  0.710  0.432  0.142  1.0
  Fe  Fe24  1  0.932  0.210  0.142  1.0
  Fe  Fe25  1  0.290  0.568  0.858  1.0
  Fe  Fe26  1  0.568  0.710  0.278  1.0
  Fe  Fe27  1  0.432  0.290  0.722  1.0
  Fe  Fe28  1  0.732  0.232  0.851  1.0
  Fe  Fe29  1  0.268  0.768  0.149  1.0
  Fe  Fe30  1  0.381  0.881  0.149  1.0
  Fe  Fe31  1  0.232  0.381  0.500  1.0
  Fe  Fe32  1  0.119  0.268  0.500  1.0
  Fe  Fe33  1  0.619  0.119  0.851  1.0
  Fe  Fe34  1  0.768  0.619  0.500  1.0
  Fe  Fe35  1  0.881  0.732  0.500  1.0
  Fe  Fe36  1  0.500  0.000  0.500  1.0
  Fe  Fe37  1  0.000  0.500  0.500  1.0
  P  P38  1  0.250  0.250  0.000  1.0
  P  P39  1  0.750  0.750  0.000  1.0
[/CIF]
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The material structure described by La6Fe9Al4P crystallizes in the tetragonal I4/mcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one Fe(2), three equivalent Al(1), and two equivalent P(1) atoms. In the second La site, La(2) is bonded in a 13-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), four equivalent Al(1), and one P(1) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent La(2), one Fe(3), three equivalent Fe(1), four equivalent Fe(2), and two equivalent Al(1) atoms to form FeLa2Al2Fe8 cuboctahedra that share  a cornercorner with one Fe(3)Al4Fe8 cuboctahedra, corners with three equivalent Fe(1)La2Al2Fe8 cuboctahedra, faces with two equivalent Fe(3)Al4Fe8 cuboctahedra, and faces with seven equivalent Fe(1)La2Al2Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to one La(1), two equivalent La(2), one Fe(2), one Fe(3), four equivalent Fe(1), and three equivalent Al(1) atoms. In the third Fe site, Fe(3) is bonded to four equivalent Fe(1), four equivalent Fe(2), and four equivalent Al(1) atoms to form a mixture of face and corner-sharing FeAl4Fe8 cuboctahedra. Al(1) is bonded in a 12-coordinate geometry to two equivalent La(2), three equivalent La(1), one Fe(3), two equivalent Fe(1), three equivalent Fe(2), and one Al(1) atom. P(1) is bonded in a distorted q6 geometry to two equivalent La(2) and eight equivalent La(1) atoms. is represented by the CIF file [CIF]
data_La6Al4Fe9P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.055
_cell_length_b   13.055
_cell_length_c   13.055
_cell_angle_alpha   143.725
_cell_angle_beta   143.725
_cell_angle_gamma   52.239
_symmetry_Int_Tables_number   1
_cell_volume   774.424
_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  0.862  0.362  0.842  1.0
  La  La1  1  0.138  0.638  0.158  1.0
  La  La2  1  0.520  0.020  0.158  1.0
  La  La3  1  0.362  0.520  0.500  1.0
  La  La4  1  0.980  0.138  0.500  1.0
  La  La5  1  0.480  0.980  0.842  1.0
  La  La6  1  0.638  0.480  0.500  1.0
  La  La7  1  0.020  0.862  0.500  1.0
  La  La8  1  0.108  0.108  0.000  1.0
  La  La9  1  0.892  0.892  0.000  1.0
  La  La10  1  0.392  0.392  0.000  1.0
  La  La11  1  0.608  0.608  0.000  1.0
  Al  Al12  1  0.211  0.711  0.737  1.0
  Al  Al13  1  0.789  0.289  0.263  1.0
  Al  Al14  1  0.974  0.474  0.263  1.0
  Al  Al15  1  0.711  0.974  0.500  1.0
  Al  Al16  1  0.526  0.789  0.500  1.0
  Al  Al17  1  0.026  0.526  0.737  1.0
  Al  Al18  1  0.289  0.026  0.500  1.0
  Al  Al19  1  0.474  0.211  0.500  1.0
  Fe  Fe20  1  0.210  0.068  0.278  1.0
  Fe  Fe21  1  0.790  0.932  0.722  1.0
  Fe  Fe22  1  0.068  0.790  0.858  1.0
  Fe  Fe23  1  0.710  0.432  0.142  1.0
  Fe  Fe24  1  0.932  0.210  0.142  1.0
  Fe  Fe25  1  0.290  0.568  0.858  1.0
  Fe  Fe26  1  0.568  0.710  0.278  1.0
  Fe  Fe27  1  0.432  0.290  0.722  1.0
  Fe  Fe28  1  0.732  0.232  0.851  1.0
  Fe  Fe29  1  0.268  0.768  0.149  1.0
  Fe  Fe30  1  0.381  0.881  0.149  1.0
  Fe  Fe31  1  0.232  0.381  0.500  1.0
  Fe  Fe32  1  0.119  0.268  0.500  1.0
  Fe  Fe33  1  0.619  0.119  0.851  1.0
  Fe  Fe34  1  0.768  0.619  0.500  1.0
  Fe  Fe35  1  0.881  0.732  0.500  1.0
  Fe  Fe36  1  0.500  0.000  0.500  1.0
  Fe  Fe37  1  0.000  0.500  0.500  1.0
  P  P38  1  0.250  0.250  0.000  1.0
  P  P39  1  0.750  0.750  0.000  1.0
[/CIF]
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