The structure described by Tm(VFe5)2 crystallizes in the orthorhombic Immm space group. Tm(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 Tm(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 Tm(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 edge, face, and corner-sharing FeTm2V2Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Tm(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 Tm(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 edge, face, and corner-sharing FeTm2V2Fe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Tm(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 file [CIF]
data_Tm(VFe5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.691
_cell_length_b   6.413
_cell_length_c   6.413
_cell_angle_alpha   97.682
_cell_angle_beta   111.455
_cell_angle_gamma   68.545
_symmetry_Int_Tables_number   1
_cell_volume   167.130
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.000  0.357  0.357  1.0
  V  V2  1  0.000  0.643  0.643  1.0
  Fe  Fe3  1  0.727  0.773  0.227  1.0
  Fe  Fe4  1  0.273  0.227  0.773  1.0
  Fe  Fe5  1  0.500  0.779  0.779  1.0
  Fe  Fe6  1  0.500  0.221  0.221  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  0.640  0.360  0.640  1.0
  Fe  Fe12  1  0.360  0.640  0.360  1.0
[/CIF]
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The structure described by Tm(VFe5)2 crystallizes in the orthorhombic Immm space group. Tm(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 Tm(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 Tm(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 edge, face, and corner-sharing FeTm2V2Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Tm(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 Tm(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 edge, face, and corner-sharing FeTm2V2Fe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Tm(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 file [CIF]
data_Tm(VFe5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.691
_cell_length_b   6.413
_cell_length_c   6.413
_cell_angle_alpha   97.682
_cell_angle_beta   111.455
_cell_angle_gamma   68.545
_symmetry_Int_Tables_number   1
_cell_volume   167.130
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.000  0.357  0.357  1.0
  V  V2  1  0.000  0.643  0.643  1.0
  Fe  Fe3  1  0.727  0.773  0.227  1.0
  Fe  Fe4  1  0.273  0.227  0.773  1.0
  Fe  Fe5  1  0.500  0.779  0.779  1.0
  Fe  Fe6  1  0.500  0.221  0.221  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  0.640  0.360  0.640  1.0
  Fe  Fe12  1  0.360  0.640  0.360  1.0
[/CIF]
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