The compound described by Fe7Al12 crystallizes in the triclinic P-1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to one Fe(4), one Al(1), one Al(2), one Al(6), two equivalent Al(5), and three equivalent Al(4) atoms. In the second Fe site, Fe(2) is bonded in a 11-coordinate geometry to one Fe(2), two equivalent Fe(4), one Al(1), one Al(5), one Al(6), two equivalent Al(2), and three equivalent Al(3) atoms. In the third Fe site, Fe(3) is bonded in a 8-coordinate geometry to two equivalent Al(2), two equivalent Al(4), two equivalent Al(5), and two equivalent Al(6) atoms. In the fourth Fe site, Fe(4) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(4), two equivalent Fe(2), one Al(2), one Al(5), two equivalent Al(3), and three equivalent Al(1) atoms. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(2), three equivalent Fe(4), and two equivalent Al(4) atoms. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(3), one Fe(4), two equivalent Fe(2), and one Al(4) atom. In the third Al site, Al(3) is bonded in a 5-coordinate geometry to two equivalent Fe(4) and three equivalent Fe(2) atoms. In the fourth Al site, Al(4) is bonded in a 12-coordinate geometry to one Fe(3), three equivalent Fe(1), one Al(2), one Al(4), two equivalent Al(1), two equivalent Al(5), and two equivalent Al(6) atoms. In the fifth Al site, Al(5) is bonded in a 5-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), and two equivalent Al(4) atoms. In the sixth Al site, Al(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), and two equivalent Al(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al12Fe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.845
_cell_length_b   6.341
_cell_length_c   8.758
_cell_angle_alpha   87.557
_cell_angle_beta   73.940
_cell_angle_gamma   82.845
_symmetry_Int_Tables_number   1
_cell_volume   256.534
_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
  Al  Al0  1  0.405  0.459  0.297  1.0
  Al  Al1  1  0.595  0.541  0.703  1.0
  Al  Al2  1  0.038  0.114  0.710  1.0
  Al  Al3  1  0.962  0.886  0.290  1.0
  Al  Al4  1  0.597  0.182  0.527  1.0
  Al  Al5  1  0.403  0.818  0.473  1.0
  Al  Al6  1  0.313  0.664  0.033  1.0
  Al  Al7  1  0.687  0.336  0.967  1.0
  Al  Al8  1  0.012  0.296  0.172  1.0
  Al  Al9  1  0.988  0.704  0.828  1.0
  Al  Al10  1  0.488  0.020  0.167  1.0
  Al  Al11  1  0.512  0.980  0.833  1.0
  Fe  Fe12  1  0.221  0.341  0.876  1.0
  Fe  Fe13  1  0.779  0.659  0.124  1.0
  Fe  Fe14  1  0.130  0.172  0.424  1.0
  Fe  Fe15  1  0.870  0.828  0.576  1.0
  Fe  Fe16  1  0.000  0.000  0.000  1.0
  Fe  Fe17  1  0.182  0.473  0.590  1.0
  Fe  Fe18  1  0.818  0.527  0.410  1.0
[/CIF]
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The compound described by Fe7Al12 crystallizes in the triclinic P-1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to one Fe(4), one Al(1), one Al(2), one Al(6), two equivalent Al(5), and three equivalent Al(4) atoms. In the second Fe site, Fe(2) is bonded in a 11-coordinate geometry to one Fe(2), two equivalent Fe(4), one Al(1), one Al(5), one Al(6), two equivalent Al(2), and three equivalent Al(3) atoms. In the third Fe site, Fe(3) is bonded in a 8-coordinate geometry to two equivalent Al(2), two equivalent Al(4), two equivalent Al(5), and two equivalent Al(6) atoms. In the fourth Fe site, Fe(4) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(4), two equivalent Fe(2), one Al(2), one Al(5), two equivalent Al(3), and three equivalent Al(1) atoms. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(2), three equivalent Fe(4), and two equivalent Al(4) atoms. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(3), one Fe(4), two equivalent Fe(2), and one Al(4) atom. In the third Al site, Al(3) is bonded in a 5-coordinate geometry to two equivalent Fe(4) and three equivalent Fe(2) atoms. In the fourth Al site, Al(4) is bonded in a 12-coordinate geometry to one Fe(3), three equivalent Fe(1), one Al(2), one Al(4), two equivalent Al(1), two equivalent Al(5), and two equivalent Al(6) atoms. In the fifth Al site, Al(5) is bonded in a 5-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), and two equivalent Al(4) atoms. In the sixth Al site, Al(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), and two equivalent Al(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al12Fe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.845
_cell_length_b   6.341
_cell_length_c   8.758
_cell_angle_alpha   87.557
_cell_angle_beta   73.940
_cell_angle_gamma   82.845
_symmetry_Int_Tables_number   1
_cell_volume   256.534
_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
  Al  Al0  1  0.405  0.459  0.297  1.0
  Al  Al1  1  0.595  0.541  0.703  1.0
  Al  Al2  1  0.038  0.114  0.710  1.0
  Al  Al3  1  0.962  0.886  0.290  1.0
  Al  Al4  1  0.597  0.182  0.527  1.0
  Al  Al5  1  0.403  0.818  0.473  1.0
  Al  Al6  1  0.313  0.664  0.033  1.0
  Al  Al7  1  0.687  0.336  0.967  1.0
  Al  Al8  1  0.012  0.296  0.172  1.0
  Al  Al9  1  0.988  0.704  0.828  1.0
  Al  Al10  1  0.488  0.020  0.167  1.0
  Al  Al11  1  0.512  0.980  0.833  1.0
  Fe  Fe12  1  0.221  0.341  0.876  1.0
  Fe  Fe13  1  0.779  0.659  0.124  1.0
  Fe  Fe14  1  0.130  0.172  0.424  1.0
  Fe  Fe15  1  0.870  0.828  0.576  1.0
  Fe  Fe16  1  0.000  0.000  0.000  1.0
  Fe  Fe17  1  0.182  0.473  0.590  1.0
  Fe  Fe18  1  0.818  0.527  0.410  1.0
[/CIF]
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