The structure described by TbFe3 crystallizes in the trigonal R-3m space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 18-coordinate geometry to six equivalent Fe(2) and twelve equivalent Fe(3) atoms. In the second Tb site, Tb(2) is bonded in a 12-coordinate geometry to three equivalent Fe(1) and nine equivalent Fe(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent Tb(2) and six equivalent Fe(3) atoms to form FeTb6Fe6 cuboctahedra that share corners with twelve equivalent Fe(3)Tb5Fe7 cuboctahedra, edges with six equivalent Fe(1)Tb6Fe6 cuboctahedra, and faces with eighteen equivalent Fe(3)Tb5Fe7 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Tb(1) and six equivalent Fe(3) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Tb(1), three equivalent Tb(2), one Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms to form FeTb5Fe7 cuboctahedra that share corners with two equivalent Fe(1)Tb6Fe6 cuboctahedra, corners with fifteen equivalent Fe(3)Tb5Fe7 cuboctahedra, edges with eight equivalent Fe(3)Tb5Fe7 cuboctahedra, faces with three equivalent Fe(1)Tb6Fe6 cuboctahedra, and faces with eleven equivalent Fe(3)Tb5Fe7 cuboctahedra. is represented by the CIF file [CIF]
data_TbFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.650
_cell_length_b   8.650
_cell_length_c   8.650
_cell_angle_alpha   34.804
_cell_angle_beta   34.804
_cell_angle_gamma   34.804
_symmetry_Int_Tables_number   1
_cell_volume   188.187
_cell_formula_units_Z   3
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  0.000  0.000  0.000  1.0
  Tb  Tb1  1  0.142  0.142  0.142  1.0
  Tb  Tb2  1  0.858  0.858  0.858  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  Fe  Fe4  1  0.333  0.333  0.333  1.0
  Fe  Fe5  1  0.667  0.667  0.667  1.0
  Fe  Fe6  1  0.083  0.579  0.579  1.0
  Fe  Fe7  1  0.579  0.579  0.083  1.0
  Fe  Fe8  1  0.579  0.083  0.579  1.0
  Fe  Fe9  1  0.421  0.917  0.421  1.0
  Fe  Fe10  1  0.917  0.421  0.421  1.0
  Fe  Fe11  1  0.421  0.421  0.917  1.0
[/CIF]
.
The structure described by TbFe3 crystallizes in the trigonal R-3m space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 18-coordinate geometry to six equivalent Fe(2) and twelve equivalent Fe(3) atoms. In the second Tb site, Tb(2) is bonded in a 12-coordinate geometry to three equivalent Fe(1) and nine equivalent Fe(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent Tb(2) and six equivalent Fe(3) atoms to form FeTb6Fe6 cuboctahedra that share corners with twelve equivalent Fe(3)Tb5Fe7 cuboctahedra, edges with six equivalent Fe(1)Tb6Fe6 cuboctahedra, and faces with eighteen equivalent Fe(3)Tb5Fe7 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Tb(1) and six equivalent Fe(3) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Tb(1), three equivalent Tb(2), one Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms to form FeTb5Fe7 cuboctahedra that share corners with two equivalent Fe(1)Tb6Fe6 cuboctahedra, corners with fifteen equivalent Fe(3)Tb5Fe7 cuboctahedra, edges with eight equivalent Fe(3)Tb5Fe7 cuboctahedra, faces with three equivalent Fe(1)Tb6Fe6 cuboctahedra, and faces with eleven equivalent Fe(3)Tb5Fe7 cuboctahedra. is represented by the CIF file [CIF]
data_TbFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.650
_cell_length_b   8.650
_cell_length_c   8.650
_cell_angle_alpha   34.804
_cell_angle_beta   34.804
_cell_angle_gamma   34.804
_symmetry_Int_Tables_number   1
_cell_volume   188.187
_cell_formula_units_Z   3
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  0.000  0.000  0.000  1.0
  Tb  Tb1  1  0.142  0.142  0.142  1.0
  Tb  Tb2  1  0.858  0.858  0.858  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  Fe  Fe4  1  0.333  0.333  0.333  1.0
  Fe  Fe5  1  0.667  0.667  0.667  1.0
  Fe  Fe6  1  0.083  0.579  0.579  1.0
  Fe  Fe7  1  0.579  0.579  0.083  1.0
  Fe  Fe8  1  0.579  0.083  0.579  1.0
  Fe  Fe9  1  0.421  0.917  0.421  1.0
  Fe  Fe10  1  0.917  0.421  0.421  1.0
  Fe  Fe11  1  0.421  0.421  0.917  1.0
[/CIF]
.