The crystal structure described by Ce2FeAl3 is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Ce(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1) and nine equivalent Al(1) atoms. Fe(1) is bonded to six equivalent Ce(1) and six equivalent Al(1) atoms to form FeCe6Al6 cuboctahedra that share corners with six equivalent Fe(1)Ce6Al6 cuboctahedra, corners with twelve equivalent Al(1)Ce6Al4Fe2 cuboctahedra, edges with six equivalent Fe(1)Ce6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Ce6Al4Fe2 cuboctahedra. Al(1) is bonded to six equivalent Ce(1), two equivalent Fe(1), and four equivalent Al(1) atoms to form AlCe6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(1)Ce6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Ce6Al4Fe2 cuboctahedra, edges with six equivalent Al(1)Ce6Al4Fe2 cuboctahedra, faces with six equivalent Fe(1)Ce6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Ce6Al4Fe2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.478
_cell_length_b   5.478
_cell_length_c   5.478
_cell_angle_alpha   60.578
_cell_angle_beta   60.578
_cell_angle_gamma   60.578
_symmetry_Int_Tables_number   1
_cell_volume   117.737
_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
  Ce  Ce0  1  0.626  0.626  0.626  1.0
  Ce  Ce1  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 crystal structure described by Ce2FeAl3 is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Ce(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1) and nine equivalent Al(1) atoms. Fe(1) is bonded to six equivalent Ce(1) and six equivalent Al(1) atoms to form FeCe6Al6 cuboctahedra that share corners with six equivalent Fe(1)Ce6Al6 cuboctahedra, corners with twelve equivalent Al(1)Ce6Al4Fe2 cuboctahedra, edges with six equivalent Fe(1)Ce6Al6 cuboctahedra, and faces with eighteen equivalent Al(1)Ce6Al4Fe2 cuboctahedra. Al(1) is bonded to six equivalent Ce(1), two equivalent Fe(1), and four equivalent Al(1) atoms to form AlCe6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(1)Ce6Al6 cuboctahedra, corners with fourteen equivalent Al(1)Ce6Al4Fe2 cuboctahedra, edges with six equivalent Al(1)Ce6Al4Fe2 cuboctahedra, faces with six equivalent Fe(1)Ce6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Ce6Al4Fe2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.478
_cell_length_b   5.478
_cell_length_c   5.478
_cell_angle_alpha   60.578
_cell_angle_beta   60.578
_cell_angle_gamma   60.578
_symmetry_Int_Tables_number   1
_cell_volume   117.737
_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
  Ce  Ce0  1  0.626  0.626  0.626  1.0
  Ce  Ce1  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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