The material described by Tb(VFe5)2 crystallizes in the orthorhombic Immm space group. Tb(1) is bonded in a 20-coordinate geometry to two equivalent V(1), two equivalent Fe(4), four equivalent Fe(1), four equivalent Fe(2), and eight equivalent Fe(3) atoms. V(1) is bonded in a 14-coordinate geometry to one Tb(1), one V(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Tb(1), two equivalent V(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(3) atoms to form a mixture of distorted corner, edge, and face-sharing FeTb2V2Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Tb(1), two equivalent V(1), two equivalent Fe(1), two equivalent Fe(4), and four equivalent Fe(3) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Tb(1), two equivalent V(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form a mixture of distorted corner, edge, and face-sharing FeTb2V2Fe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Tb(1), four equivalent V(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. is represented by the CIF card [CIF]
data_Tb(VFe5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.678
_cell_length_b   6.424
_cell_length_c   6.424
_cell_angle_alpha   97.330
_cell_angle_beta   111.352
_cell_angle_gamma   68.648
_symmetry_Int_Tables_number   1
_cell_volume   167.423
_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  0.359  0.359  1.0
  V  V2  1  0.000  0.641  0.641  1.0
  Fe  Fe3  1  0.725  0.775  0.225  1.0
  Fe  Fe4  1  0.275  0.225  0.775  1.0
  Fe  Fe5  1  0.500  0.771  0.771  1.0
  Fe  Fe6  1  0.500  0.229  0.229  1.0
  Fe  Fe7  1  0.500  0.000  0.500  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.500  0.000  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.641  0.359  0.641  1.0
  Fe  Fe12  1  0.359  0.641  0.359  1.0
[/CIF]
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The material described by Tb(VFe5)2 crystallizes in the orthorhombic Immm space group. Tb(1) is bonded in a 20-coordinate geometry to two equivalent V(1), two equivalent Fe(4), four equivalent Fe(1), four equivalent Fe(2), and eight equivalent Fe(3) atoms. V(1) is bonded in a 14-coordinate geometry to one Tb(1), one V(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Tb(1), two equivalent V(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(3) atoms to form a mixture of distorted corner, edge, and face-sharing FeTb2V2Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Tb(1), two equivalent V(1), two equivalent Fe(1), two equivalent Fe(4), and four equivalent Fe(3) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Tb(1), two equivalent V(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form a mixture of distorted corner, edge, and face-sharing FeTb2V2Fe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Tb(1), four equivalent V(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. is represented by the CIF card [CIF]
data_Tb(VFe5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.678
_cell_length_b   6.424
_cell_length_c   6.424
_cell_angle_alpha   97.330
_cell_angle_beta   111.352
_cell_angle_gamma   68.648
_symmetry_Int_Tables_number   1
_cell_volume   167.423
_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  0.359  0.359  1.0
  V  V2  1  0.000  0.641  0.641  1.0
  Fe  Fe3  1  0.725  0.775  0.225  1.0
  Fe  Fe4  1  0.275  0.225  0.775  1.0
  Fe  Fe5  1  0.500  0.771  0.771  1.0
  Fe  Fe6  1  0.500  0.229  0.229  1.0
  Fe  Fe7  1  0.500  0.000  0.500  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.500  0.000  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.641  0.359  0.641  1.0
  Fe  Fe12  1  0.359  0.641  0.359  1.0
[/CIF]
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