The compound described by Al7Cu2Fe crystallizes in the tetragonal P4/mnc space group. Fe(1) is bonded in a 9-coordinate geometry to one Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Cu(1), two equivalent Al(1), and six equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Cu(1) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one Fe(1) and three equivalent Cu(1) atoms. In the third Al site, Al(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Al7FeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.259
_cell_length_b   6.259
_cell_length_c   14.641
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.555
_cell_formula_units_Z   4
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  1.000  1.000  0.133  1.0
  Al  Al1  1  0.500  0.500  0.367  1.0
  Al  Al2  1  0.000  0.000  0.867  1.0
  Al  Al3  1  0.500  0.500  0.633  1.0
  Al  Al4  1  0.914  0.706  0.600  1.0
  Al  Al5  1  0.086  0.294  0.600  1.0
  Al  Al6  1  0.206  0.414  0.900  1.0
  Al  Al7  1  0.706  0.086  0.600  1.0
  Al  Al8  1  0.294  0.914  0.600  1.0
  Al  Al9  1  0.586  0.206  0.900  1.0
  Al  Al10  1  0.414  0.794  0.900  1.0
  Al  Al11  1  0.794  0.586  0.900  1.0
  Al  Al12  1  0.086  0.294  0.400  1.0
  Al  Al13  1  0.914  0.706  0.400  1.0
  Al  Al14  1  0.794  0.586  0.100  1.0
  Al  Al15  1  0.294  0.914  0.400  1.0
  Al  Al16  1  0.164  0.664  0.250  1.0
  Al  Al17  1  0.336  0.164  0.250  1.0
  Al  Al18  1  0.664  0.836  0.250  1.0
  Al  Al19  1  0.836  0.336  0.250  1.0
  Al  Al20  1  0.836  0.336  0.750  1.0
  Al  Al21  1  0.664  0.836  0.750  1.0
  Al  Al22  1  0.336  0.164  0.750  1.0
  Al  Al23  1  0.164  0.664  0.750  1.0
  Al  Al24  1  0.206  0.414  0.100  1.0
  Al  Al25  1  0.586  0.206  0.100  1.0
  Al  Al26  1  0.414  0.794  0.100  1.0
  Al  Al27  1  0.706  0.086  0.400  1.0
  Fe  Fe28  1  1.000  0.000  0.299  1.0
  Fe  Fe29  1  0.500  0.500  0.201  1.0
  Fe  Fe30  1  0.000  1.000  0.701  1.0
  Fe  Fe31  1  0.500  0.500  0.799  1.0
  Cu  Cu32  1  0.773  0.414  0.500  1.0
  Cu  Cu33  1  0.086  0.728  0.000  1.0
  Cu  Cu34  1  0.914  0.272  0.000  1.0
  Cu  Cu35  1  0.272  0.086  0.000  1.0
  Cu  Cu36  1  0.227  0.586  0.500  1.0
  Cu  Cu37  1  0.728  0.914  0.000  1.0
  Cu  Cu38  1  0.586  0.773  0.500  1.0
  Cu  Cu39  1  0.414  0.227  0.500  1.0
[/CIF]
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The compound described by Al7Cu2Fe crystallizes in the tetragonal P4/mnc space group. Fe(1) is bonded in a 9-coordinate geometry to one Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Cu(1), two equivalent Al(1), and six equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Cu(1) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one Fe(1) and three equivalent Cu(1) atoms. In the third Al site, Al(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Al7FeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.259
_cell_length_b   6.259
_cell_length_c   14.641
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.555
_cell_formula_units_Z   4
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  1.000  1.000  0.133  1.0
  Al  Al1  1  0.500  0.500  0.367  1.0
  Al  Al2  1  0.000  0.000  0.867  1.0
  Al  Al3  1  0.500  0.500  0.633  1.0
  Al  Al4  1  0.914  0.706  0.600  1.0
  Al  Al5  1  0.086  0.294  0.600  1.0
  Al  Al6  1  0.206  0.414  0.900  1.0
  Al  Al7  1  0.706  0.086  0.600  1.0
  Al  Al8  1  0.294  0.914  0.600  1.0
  Al  Al9  1  0.586  0.206  0.900  1.0
  Al  Al10  1  0.414  0.794  0.900  1.0
  Al  Al11  1  0.794  0.586  0.900  1.0
  Al  Al12  1  0.086  0.294  0.400  1.0
  Al  Al13  1  0.914  0.706  0.400  1.0
  Al  Al14  1  0.794  0.586  0.100  1.0
  Al  Al15  1  0.294  0.914  0.400  1.0
  Al  Al16  1  0.164  0.664  0.250  1.0
  Al  Al17  1  0.336  0.164  0.250  1.0
  Al  Al18  1  0.664  0.836  0.250  1.0
  Al  Al19  1  0.836  0.336  0.250  1.0
  Al  Al20  1  0.836  0.336  0.750  1.0
  Al  Al21  1  0.664  0.836  0.750  1.0
  Al  Al22  1  0.336  0.164  0.750  1.0
  Al  Al23  1  0.164  0.664  0.750  1.0
  Al  Al24  1  0.206  0.414  0.100  1.0
  Al  Al25  1  0.586  0.206  0.100  1.0
  Al  Al26  1  0.414  0.794  0.100  1.0
  Al  Al27  1  0.706  0.086  0.400  1.0
  Fe  Fe28  1  1.000  0.000  0.299  1.0
  Fe  Fe29  1  0.500  0.500  0.201  1.0
  Fe  Fe30  1  0.000  1.000  0.701  1.0
  Fe  Fe31  1  0.500  0.500  0.799  1.0
  Cu  Cu32  1  0.773  0.414  0.500  1.0
  Cu  Cu33  1  0.086  0.728  0.000  1.0
  Cu  Cu34  1  0.914  0.272  0.000  1.0
  Cu  Cu35  1  0.272  0.086  0.000  1.0
  Cu  Cu36  1  0.227  0.586  0.500  1.0
  Cu  Cu37  1  0.728  0.914  0.000  1.0
  Cu  Cu38  1  0.586  0.773  0.500  1.0
  Cu  Cu39  1  0.414  0.227  0.500  1.0
[/CIF]
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