The structure described by Tb(VFe2)4 crystallizes in the tetragonal I4/mmm space group. Tb(1) is bonded in a 20-coordinate geometry to four equivalent V(1), eight equivalent Fe(1), and eight equivalent Fe(2) atoms. V(1) is bonded in a 10-coordinate geometry to one Tb(1), one V(1), four equivalent Fe(1), and four equivalent Fe(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Tb(1), four equivalent V(1), two equivalent Fe(1), and four equivalent Fe(2) atoms to form a mixture of distorted corner, edge, and face-sharing FeTb2V4Fe6 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Tb(1), four equivalent V(1), two equivalent Fe(2), and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb(VFe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.712
_cell_length_b   6.452
_cell_length_c   6.452
_cell_angle_alpha   82.336
_cell_angle_beta   68.581
_cell_angle_gamma   68.581
_symmetry_Int_Tables_number   1
_cell_volume   170.007
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.000  0.357  0.643  1.0
  V  V2  1  0.000  0.643  0.357  1.0
  V  V3  1  0.643  0.357  0.357  1.0
  V  V4  1  0.357  0.643  0.643  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  Fe  Fe6  1  0.500  0.000  0.500  1.0
  Fe  Fe7  1  0.500  0.500  0.000  1.0
  Fe  Fe8  1  0.000  0.500  0.000  1.0
  Fe  Fe9  1  0.500  0.773  0.227  1.0
  Fe  Fe10  1  0.500  0.227  0.773  1.0
  Fe  Fe11  1  0.727  0.773  0.773  1.0
  Fe  Fe12  1  0.273  0.227  0.227  1.0
[/CIF]
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The structure described by Tb(VFe2)4 crystallizes in the tetragonal I4/mmm space group. Tb(1) is bonded in a 20-coordinate geometry to four equivalent V(1), eight equivalent Fe(1), and eight equivalent Fe(2) atoms. V(1) is bonded in a 10-coordinate geometry to one Tb(1), one V(1), four equivalent Fe(1), and four equivalent Fe(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Tb(1), four equivalent V(1), two equivalent Fe(1), and four equivalent Fe(2) atoms to form a mixture of distorted corner, edge, and face-sharing FeTb2V4Fe6 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Tb(1), four equivalent V(1), two equivalent Fe(2), and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb(VFe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.712
_cell_length_b   6.452
_cell_length_c   6.452
_cell_angle_alpha   82.336
_cell_angle_beta   68.581
_cell_angle_gamma   68.581
_symmetry_Int_Tables_number   1
_cell_volume   170.007
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.000  0.357  0.643  1.0
  V  V2  1  0.000  0.643  0.357  1.0
  V  V3  1  0.643  0.357  0.357  1.0
  V  V4  1  0.357  0.643  0.643  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  Fe  Fe6  1  0.500  0.000  0.500  1.0
  Fe  Fe7  1  0.500  0.500  0.000  1.0
  Fe  Fe8  1  0.000  0.500  0.000  1.0
  Fe  Fe9  1  0.500  0.773  0.227  1.0
  Fe  Fe10  1  0.500  0.227  0.773  1.0
  Fe  Fe11  1  0.727  0.773  0.773  1.0
  Fe  Fe12  1  0.273  0.227  0.227  1.0
[/CIF]
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