The material described by U3(FeAl3)4 crystallizes in the hexagonal P6_3/mmc space group. U(1) is bonded in a 15-coordinate geometry to four equivalent Fe(1), one Al(4), two equivalent Al(1), two equivalent Al(3), and six equivalent Al(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(2) is bonded in a body-centered cubic geometry to two equivalent Al(4) and six equivalent Al(2) atoms. In the second Fe site, Fe(1) is bonded in a 8-coordinate geometry to four equivalent U(1), two equivalent Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to three equivalent U(1), three equivalent Fe(1), three equivalent Al(2), and three equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent U(1), one Fe(2), two equivalent Fe(1), and one Al(1) atom. In the third Al site, Al(3) is bonded in a 2-coordinate geometry to two equivalent U(1), two equivalent Fe(1), and two equivalent Al(1) atoms. In the fourth Al site, Al(4) is bonded in a distorted linear geometry to three equivalent U(1) and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_U3(Al3Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.723
_cell_length_b   8.723
_cell_length_c   9.139
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   602.272
_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
  U  U0  1  0.799  0.201  0.750  1.0
  U  U1  1  0.201  0.799  0.250  1.0
  U  U2  1  0.403  0.201  0.750  1.0
  U  U3  1  0.597  0.799  0.250  1.0
  U  U4  1  0.799  0.597  0.750  1.0
  U  U5  1  0.201  0.403  0.250  1.0
  Al  Al6  1  0.667  0.333  0.995  1.0
  Al  Al7  1  0.333  0.667  0.005  1.0
  Al  Al8  1  0.333  0.667  0.495  1.0
  Al  Al9  1  0.667  0.333  0.505  1.0
  Al  Al10  1  0.842  0.158  0.421  1.0
  Al  Al11  1  0.158  0.842  0.579  1.0
  Al  Al12  1  0.316  0.158  0.421  1.0
  Al  Al13  1  0.158  0.842  0.921  1.0
  Al  Al14  1  0.684  0.842  0.579  1.0
  Al  Al15  1  0.842  0.158  0.079  1.0
  Al  Al16  1  0.842  0.684  0.421  1.0
  Al  Al17  1  0.684  0.842  0.921  1.0
  Al  Al18  1  0.158  0.316  0.579  1.0
  Al  Al19  1  0.316  0.158  0.079  1.0
  Al  Al20  1  0.158  0.316  0.921  1.0
  Al  Al21  1  0.842  0.684  0.079  1.0
  Al  Al22  1  0.439  0.561  0.750  1.0
  Al  Al23  1  0.561  0.439  0.250  1.0
  Al  Al24  1  0.123  0.561  0.750  1.0
  Al  Al25  1  0.877  0.439  0.250  1.0
  Al  Al26  1  0.439  0.877  0.750  1.0
  Al  Al27  1  0.561  0.123  0.250  1.0
  Al  Al28  1  0.000  0.000  0.750  1.0
  Al  Al29  1  1.000  1.000  0.250  1.0
  Fe  Fe30  1  0.500  0.500  0.000  1.0
  Fe  Fe31  1  0.000  0.500  0.000  1.0
  Fe  Fe32  1  0.500  0.500  0.500  1.0
  Fe  Fe33  1  0.500  1.000  0.000  1.0
  Fe  Fe34  1  0.000  0.500  0.500  1.0
  Fe  Fe35  1  0.500  1.000  0.500  1.0
  Fe  Fe36  1  0.000  1.000  1.000  1.0
  Fe  Fe37  1  0.000  1.000  0.500  1.0
[/CIF]
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The material described by U3(FeAl3)4 crystallizes in the hexagonal P6_3/mmc space group. U(1) is bonded in a 15-coordinate geometry to four equivalent Fe(1), one Al(4), two equivalent Al(1), two equivalent Al(3), and six equivalent Al(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(2) is bonded in a body-centered cubic geometry to two equivalent Al(4) and six equivalent Al(2) atoms. In the second Fe site, Fe(1) is bonded in a 8-coordinate geometry to four equivalent U(1), two equivalent Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to three equivalent U(1), three equivalent Fe(1), three equivalent Al(2), and three equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent U(1), one Fe(2), two equivalent Fe(1), and one Al(1) atom. In the third Al site, Al(3) is bonded in a 2-coordinate geometry to two equivalent U(1), two equivalent Fe(1), and two equivalent Al(1) atoms. In the fourth Al site, Al(4) is bonded in a distorted linear geometry to three equivalent U(1) and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_U3(Al3Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.723
_cell_length_b   8.723
_cell_length_c   9.139
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   602.272
_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
  U  U0  1  0.799  0.201  0.750  1.0
  U  U1  1  0.201  0.799  0.250  1.0
  U  U2  1  0.403  0.201  0.750  1.0
  U  U3  1  0.597  0.799  0.250  1.0
  U  U4  1  0.799  0.597  0.750  1.0
  U  U5  1  0.201  0.403  0.250  1.0
  Al  Al6  1  0.667  0.333  0.995  1.0
  Al  Al7  1  0.333  0.667  0.005  1.0
  Al  Al8  1  0.333  0.667  0.495  1.0
  Al  Al9  1  0.667  0.333  0.505  1.0
  Al  Al10  1  0.842  0.158  0.421  1.0
  Al  Al11  1  0.158  0.842  0.579  1.0
  Al  Al12  1  0.316  0.158  0.421  1.0
  Al  Al13  1  0.158  0.842  0.921  1.0
  Al  Al14  1  0.684  0.842  0.579  1.0
  Al  Al15  1  0.842  0.158  0.079  1.0
  Al  Al16  1  0.842  0.684  0.421  1.0
  Al  Al17  1  0.684  0.842  0.921  1.0
  Al  Al18  1  0.158  0.316  0.579  1.0
  Al  Al19  1  0.316  0.158  0.079  1.0
  Al  Al20  1  0.158  0.316  0.921  1.0
  Al  Al21  1  0.842  0.684  0.079  1.0
  Al  Al22  1  0.439  0.561  0.750  1.0
  Al  Al23  1  0.561  0.439  0.250  1.0
  Al  Al24  1  0.123  0.561  0.750  1.0
  Al  Al25  1  0.877  0.439  0.250  1.0
  Al  Al26  1  0.439  0.877  0.750  1.0
  Al  Al27  1  0.561  0.123  0.250  1.0
  Al  Al28  1  0.000  0.000  0.750  1.0
  Al  Al29  1  1.000  1.000  0.250  1.0
  Fe  Fe30  1  0.500  0.500  0.000  1.0
  Fe  Fe31  1  0.000  0.500  0.000  1.0
  Fe  Fe32  1  0.500  0.500  0.500  1.0
  Fe  Fe33  1  0.500  1.000  0.000  1.0
  Fe  Fe34  1  0.000  0.500  0.500  1.0
  Fe  Fe35  1  0.500  1.000  0.500  1.0
  Fe  Fe36  1  0.000  1.000  1.000  1.0
  Fe  Fe37  1  0.000  1.000  0.500  1.0
[/CIF]
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