The material structure described by U2FeAl3 crystallizes in the trigonal R-3m space group. U(1) is bonded in a 15-coordinate geometry to three equivalent U(1), three equivalent Fe(1), and nine equivalent Al(1) atoms. Fe(1) is bonded to six equivalent U(1) and six equivalent Al(1) atoms to form FeU6Al6 cuboctahedra that share corners with six equivalent Fe(1)U6Al6 cuboctahedra, corners with twelve equivalent Al(1)U6Al4Fe2 cuboctahedra, edges with six equivalent Fe(1)U6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)U6Al4Fe2 cuboctahedra. Al(1) is bonded to six equivalent U(1), two equivalent Fe(1), and four equivalent Al(1) atoms to form AlU6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(1)U6Al6 cuboctahedra, corners with fourteen equivalent Al(1)U6Al4Fe2 cuboctahedra, edges with six equivalent Al(1)U6Al4Fe2 cuboctahedra, faces with six equivalent Fe(1)U6Al6 cuboctahedra, and faces with twelve equivalent Al(1)U6Al4Fe2 cuboctahedra. is represented by the CIF file [CIF]
data_U2Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.191
_cell_length_c   5.418
_cell_angle_alpha   90.000
_cell_angle_beta   61.373
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   105.331
_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  0.478  0.739  0.783  1.0
  U  U1  1  0.022  0.011  0.967  1.0
  Al  Al2  1  0.250  0.375  0.375  1.0
  Al  Al3  1  0.250  0.875  0.375  1.0
  Al  Al4  1  0.750  0.375  0.375  1.0
  Fe  Fe5  1  0.750  0.375  0.875  1.0
[/CIF]
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The material structure described by U2FeAl3 crystallizes in the trigonal R-3m space group. U(1) is bonded in a 15-coordinate geometry to three equivalent U(1), three equivalent Fe(1), and nine equivalent Al(1) atoms. Fe(1) is bonded to six equivalent U(1) and six equivalent Al(1) atoms to form FeU6Al6 cuboctahedra that share corners with six equivalent Fe(1)U6Al6 cuboctahedra, corners with twelve equivalent Al(1)U6Al4Fe2 cuboctahedra, edges with six equivalent Fe(1)U6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)U6Al4Fe2 cuboctahedra. Al(1) is bonded to six equivalent U(1), two equivalent Fe(1), and four equivalent Al(1) atoms to form AlU6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(1)U6Al6 cuboctahedra, corners with fourteen equivalent Al(1)U6Al4Fe2 cuboctahedra, edges with six equivalent Al(1)U6Al4Fe2 cuboctahedra, faces with six equivalent Fe(1)U6Al6 cuboctahedra, and faces with twelve equivalent Al(1)U6Al4Fe2 cuboctahedra. is represented by the CIF file [CIF]
data_U2Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.191
_cell_length_c   5.418
_cell_angle_alpha   90.000
_cell_angle_beta   61.373
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   105.331
_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  0.478  0.739  0.783  1.0
  U  U1  1  0.022  0.011  0.967  1.0
  Al  Al2  1  0.250  0.375  0.375  1.0
  Al  Al3  1  0.250  0.875  0.375  1.0
  Al  Al4  1  0.750  0.375  0.375  1.0
  Fe  Fe5  1  0.750  0.375  0.875  1.0
[/CIF]
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