The structure described by LaFe4Al8 crystallizes in the tetragonal I4/mmm space group. La(1) is bonded in a 20-coordinate geometry to eight equivalent Fe(1), four equivalent Al(2), and eight equivalent Al(1) atoms. Fe(1) is bonded to two equivalent La(1), two equivalent Fe(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted edge, corner, and face-sharing FeLa2Al8Fe2 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent La(1), four equivalent Fe(1), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one La(1), four equivalent Fe(1), one Al(2), and four equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_La(Al2Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.005
_cell_length_b   6.755
_cell_length_c   6.755
_cell_angle_alpha   97.898
_cell_angle_beta   68.247
_cell_angle_gamma   111.755
_symmetry_Int_Tables_number   1
_cell_volume   197.040
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.229  0.229  1.0
  Al  Al2  1  0.271  0.771  0.229  1.0
  Al  Al3  1  1.000  0.346  0.346  1.0
  Al  Al4  1  0.654  0.654  0.346  1.0
  Al  Al5  1  0.000  0.654  0.654  1.0
  Al  Al6  1  0.346  0.346  0.654  1.0
  Al  Al7  1  0.500  0.771  0.771  1.0
  Al  Al8  1  0.729  0.229  0.771  1.0
  Fe  Fe9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.500  0.500  0.000  1.0
  Fe  Fe11  1  0.000  0.000  0.500  1.0
  Fe  Fe12  1  0.500  0.000  0.500  1.0
[/CIF]
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The structure described by LaFe4Al8 crystallizes in the tetragonal I4/mmm space group. La(1) is bonded in a 20-coordinate geometry to eight equivalent Fe(1), four equivalent Al(2), and eight equivalent Al(1) atoms. Fe(1) is bonded to two equivalent La(1), two equivalent Fe(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted edge, corner, and face-sharing FeLa2Al8Fe2 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent La(1), four equivalent Fe(1), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one La(1), four equivalent Fe(1), one Al(2), and four equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_La(Al2Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.005
_cell_length_b   6.755
_cell_length_c   6.755
_cell_angle_alpha   97.898
_cell_angle_beta   68.247
_cell_angle_gamma   111.755
_symmetry_Int_Tables_number   1
_cell_volume   197.040
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.229  0.229  1.0
  Al  Al2  1  0.271  0.771  0.229  1.0
  Al  Al3  1  1.000  0.346  0.346  1.0
  Al  Al4  1  0.654  0.654  0.346  1.0
  Al  Al5  1  0.000  0.654  0.654  1.0
  Al  Al6  1  0.346  0.346  0.654  1.0
  Al  Al7  1  0.500  0.771  0.771  1.0
  Al  Al8  1  0.729  0.229  0.771  1.0
  Fe  Fe9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.500  0.500  0.000  1.0
  Fe  Fe11  1  0.000  0.000  0.500  1.0
  Fe  Fe12  1  0.500  0.000  0.500  1.0
[/CIF]
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