The crystal structure described by TbFe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Tb(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1) and nine equivalent Fe(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent Tb(1) and six equivalent Fe(2) atoms to form a mixture of face, corner, and edge-sharing FeTb6Fe6 cuboctahedra. In the second Fe site, Fe(2) is bonded to six equivalent Tb(1), two equivalent Fe(1), and four equivalent Fe(2) atoms to form a mixture of face, corner, and edge-sharing FeTb6Fe6 cuboctahedra. is represented by the CIF card [CIF]
data_TbFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   5.194
_cell_length_c   8.410
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   196.509
_cell_formula_units_Z   4
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  0.333  0.667  0.437  1.0
  Tb  Tb1  1  0.667  0.333  0.563  1.0
  Tb  Tb2  1  0.667  0.333  0.937  1.0
  Tb  Tb3  1  0.333  0.667  0.063  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.835  0.165  0.250  1.0
  Fe  Fe7  1  0.835  0.671  0.250  1.0
  Fe  Fe8  1  0.329  0.165  0.250  1.0
  Fe  Fe9  1  0.165  0.835  0.750  1.0
  Fe  Fe10  1  0.165  0.329  0.750  1.0
  Fe  Fe11  1  0.671  0.835  0.750  1.0
[/CIF]
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The crystal structure described by TbFe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Tb(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1) and nine equivalent Fe(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent Tb(1) and six equivalent Fe(2) atoms to form a mixture of face, corner, and edge-sharing FeTb6Fe6 cuboctahedra. In the second Fe site, Fe(2) is bonded to six equivalent Tb(1), two equivalent Fe(1), and four equivalent Fe(2) atoms to form a mixture of face, corner, and edge-sharing FeTb6Fe6 cuboctahedra. is represented by the CIF card [CIF]
data_TbFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   5.194
_cell_length_c   8.410
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   196.509
_cell_formula_units_Z   4
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  0.333  0.667  0.437  1.0
  Tb  Tb1  1  0.667  0.333  0.563  1.0
  Tb  Tb2  1  0.667  0.333  0.937  1.0
  Tb  Tb3  1  0.333  0.667  0.063  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.835  0.165  0.250  1.0
  Fe  Fe7  1  0.835  0.671  0.250  1.0
  Fe  Fe8  1  0.329  0.165  0.250  1.0
  Fe  Fe9  1  0.165  0.835  0.750  1.0
  Fe  Fe10  1  0.165  0.329  0.750  1.0
  Fe  Fe11  1  0.671  0.835  0.750  1.0
[/CIF]
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