The crystal structure described by UFe3Al9 crystallizes in the monoclinic C2/m space group. U(1) is bonded in a 20-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), two equivalent Al(3), four equivalent Al(2), and eight equivalent Al(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 10-coordinate geometry to two equivalent U(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms. In the second Fe site, Fe(2) is bonded in a 10-coordinate geometry to two equivalent U(1), two equivalent Fe(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent U(1), one Fe(1), two equivalent Fe(2), one Al(3), 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 U(1), one Fe(1), two equivalent Fe(2), one Al(2), one Al(3), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a distorted linear geometry to two equivalent U(1), two equivalent Fe(1), four equivalent Al(1), and four equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U(Al3Fe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.742
_cell_length_b   6.742
_cell_length_c   6.661
_cell_angle_alpha   82.253
_cell_angle_beta   82.254
_cell_angle_gamma   136.358
_symmetry_Int_Tables_number   1
_cell_volume   194.754
_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
  U  U0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.485  0.710  0.785  1.0
  Al  Al2  1  0.515  0.290  0.215  1.0
  Al  Al3  1  0.290  0.515  0.215  1.0
  Al  Al4  1  0.710  0.485  0.785  1.0
  Al  Al5  1  0.000  0.646  0.338  1.0
  Al  Al6  1  1.000  0.354  0.662  1.0
  Al  Al7  1  0.354  1.000  0.662  1.0
  Al  Al8  1  0.646  0.000  0.338  1.0
  Al  Al9  1  0.000  0.000  0.500  1.0
  Fe  Fe10  1  0.500  0.500  0.500  1.0
  Fe  Fe11  1  0.500  0.000  0.000  1.0
  Fe  Fe12  1  0.000  0.500  0.000  1.0
[/CIF]
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The crystal structure described by UFe3Al9 crystallizes in the monoclinic C2/m space group. U(1) is bonded in a 20-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), two equivalent Al(3), four equivalent Al(2), and eight equivalent Al(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 10-coordinate geometry to two equivalent U(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms. In the second Fe site, Fe(2) is bonded in a 10-coordinate geometry to two equivalent U(1), two equivalent Fe(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent U(1), one Fe(1), two equivalent Fe(2), one Al(3), 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 U(1), one Fe(1), two equivalent Fe(2), one Al(2), one Al(3), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a distorted linear geometry to two equivalent U(1), two equivalent Fe(1), four equivalent Al(1), and four equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U(Al3Fe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.742
_cell_length_b   6.742
_cell_length_c   6.661
_cell_angle_alpha   82.253
_cell_angle_beta   82.254
_cell_angle_gamma   136.358
_symmetry_Int_Tables_number   1
_cell_volume   194.754
_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
  U  U0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.485  0.710  0.785  1.0
  Al  Al2  1  0.515  0.290  0.215  1.0
  Al  Al3  1  0.290  0.515  0.215  1.0
  Al  Al4  1  0.710  0.485  0.785  1.0
  Al  Al5  1  0.000  0.646  0.338  1.0
  Al  Al6  1  1.000  0.354  0.662  1.0
  Al  Al7  1  0.354  1.000  0.662  1.0
  Al  Al8  1  0.646  0.000  0.338  1.0
  Al  Al9  1  0.000  0.000  0.500  1.0
  Fe  Fe10  1  0.500  0.500  0.500  1.0
  Fe  Fe11  1  0.500  0.000  0.000  1.0
  Fe  Fe12  1  0.000  0.500  0.000  1.0
[/CIF]
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