The material structure described by Lu2FeAl3 crystallizes in the trigonal R-3m space group. Lu(1) is bonded in a 16-coordinate geometry to four equivalent Lu(1), three equivalent Fe(1), and nine equivalent Al(1) atoms. Fe(1) is bonded to six equivalent Lu(1) and six equivalent Al(1) atoms to form FeLu6Al6 cuboctahedra that share corners with six equivalent Fe(1)Lu6Al6 cuboctahedra, corners with twelve equivalent Al(1)Lu6Al4Fe2 cuboctahedra, edges with six equivalent Fe(1)Lu6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Lu6Al4Fe2 cuboctahedra. Al(1) is bonded to six equivalent Lu(1), two equivalent Fe(1), and four equivalent Al(1) atoms to form AlLu6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(1)Lu6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Lu6Al4Fe2 cuboctahedra, edges with six equivalent Al(1)Lu6Al4Fe2 cuboctahedra, faces with six equivalent Fe(1)Lu6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Lu6Al4Fe2 cuboctahedra. is represented by the CIF card [CIF]
data_Lu2Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   5.321
_cell_length_c   5.321
_cell_angle_alpha   61.426
_cell_angle_beta   61.426
_cell_angle_gamma   61.426
_symmetry_Int_Tables_number   1
_cell_volume   109.954
_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
  Lu  Lu0  1  0.626  0.626  0.626  1.0
  Lu  Lu1  1  0.374  0.374  0.374  1.0
  Al  Al2  1  0.000  0.500  0.000  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  Al  Al4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Lu2FeAl3 crystallizes in the trigonal R-3m space group. Lu(1) is bonded in a 16-coordinate geometry to four equivalent Lu(1), three equivalent Fe(1), and nine equivalent Al(1) atoms. Fe(1) is bonded to six equivalent Lu(1) and six equivalent Al(1) atoms to form FeLu6Al6 cuboctahedra that share corners with six equivalent Fe(1)Lu6Al6 cuboctahedra, corners with twelve equivalent Al(1)Lu6Al4Fe2 cuboctahedra, edges with six equivalent Fe(1)Lu6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Lu6Al4Fe2 cuboctahedra. Al(1) is bonded to six equivalent Lu(1), two equivalent Fe(1), and four equivalent Al(1) atoms to form AlLu6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(1)Lu6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Lu6Al4Fe2 cuboctahedra, edges with six equivalent Al(1)Lu6Al4Fe2 cuboctahedra, faces with six equivalent Fe(1)Lu6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Lu6Al4Fe2 cuboctahedra. is represented by the CIF card [CIF]
data_Lu2Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   5.321
_cell_length_c   5.321
_cell_angle_alpha   61.426
_cell_angle_beta   61.426
_cell_angle_gamma   61.426
_symmetry_Int_Tables_number   1
_cell_volume   109.954
_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
  Lu  Lu0  1  0.626  0.626  0.626  1.0
  Lu  Lu1  1  0.374  0.374  0.374  1.0
  Al  Al2  1  0.000  0.500  0.000  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  Al  Al4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
[/CIF]
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