The compound described by Tb2Fe3Al is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Tb(1) is bonded in a 12-coordinate geometry to nine equivalent Fe(1) and three equivalent Al(1) atoms. Fe(1) is bonded to six equivalent Tb(1), four equivalent Fe(1), and two equivalent Al(1) atoms to form FeTb6Al2Fe4 cuboctahedra that share corners with four equivalent Al(1)Tb6Fe6 cuboctahedra, corners with fourteen equivalent Fe(1)Tb6Al2Fe4 cuboctahedra, edges with six equivalent Fe(1)Tb6Al2Fe4 cuboctahedra, faces with six equivalent Al(1)Tb6Fe6 cuboctahedra, and faces with twelve equivalent Fe(1)Tb6Al2Fe4 cuboctahedra. Al(1) is bonded to six equivalent Tb(1) and six equivalent Fe(1) atoms to form AlTb6Fe6 cuboctahedra that share corners with six equivalent Al(1)Tb6Fe6 cuboctahedra, corners with twelve equivalent Fe(1)Tb6Al2Fe4 cuboctahedra, edges with six equivalent Al(1)Tb6Fe6 cuboctahedra, and faces with eighteen equivalent Fe(1)Tb6Al2Fe4 cuboctahedra. is represented by the CIF card [CIF]
data_Tb2AlFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.208
_cell_length_c   5.208
_cell_angle_alpha   60.299
_cell_angle_beta   60.299
_cell_angle_gamma   60.299
_symmetry_Int_Tables_number   1
_cell_volume   100.555
_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
  Tb  Tb0  1  0.623  0.623  0.623  1.0
  Tb  Tb1  1  0.377  0.377  0.377  1.0
  Al  Al2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.000  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by Tb2Fe3Al is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Tb(1) is bonded in a 12-coordinate geometry to nine equivalent Fe(1) and three equivalent Al(1) atoms. Fe(1) is bonded to six equivalent Tb(1), four equivalent Fe(1), and two equivalent Al(1) atoms to form FeTb6Al2Fe4 cuboctahedra that share corners with four equivalent Al(1)Tb6Fe6 cuboctahedra, corners with fourteen equivalent Fe(1)Tb6Al2Fe4 cuboctahedra, edges with six equivalent Fe(1)Tb6Al2Fe4 cuboctahedra, faces with six equivalent Al(1)Tb6Fe6 cuboctahedra, and faces with twelve equivalent Fe(1)Tb6Al2Fe4 cuboctahedra. Al(1) is bonded to six equivalent Tb(1) and six equivalent Fe(1) atoms to form AlTb6Fe6 cuboctahedra that share corners with six equivalent Al(1)Tb6Fe6 cuboctahedra, corners with twelve equivalent Fe(1)Tb6Al2Fe4 cuboctahedra, edges with six equivalent Al(1)Tb6Fe6 cuboctahedra, and faces with eighteen equivalent Fe(1)Tb6Al2Fe4 cuboctahedra. is represented by the CIF card [CIF]
data_Tb2AlFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.208
_cell_length_c   5.208
_cell_angle_alpha   60.299
_cell_angle_beta   60.299
_cell_angle_gamma   60.299
_symmetry_Int_Tables_number   1
_cell_volume   100.555
_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
  Tb  Tb0  1  0.623  0.623  0.623  1.0
  Tb  Tb1  1  0.377  0.377  0.377  1.0
  Al  Al2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.000  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
[/CIF]
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