data_V5Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   70.53
_cell_angle_beta   54.74
_cell_angle_gamma   54.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Fe3
_chemical_formula_sum   'V5 Fe3'
_cell_volume   94.56
_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
  V  V3  1  0.0  0.0  0.0  1.0
  V  V4  1  0.43  0.03  0.06  1.0
  V  V5  1  0.0  0.03  0.03  1.0
  V  V6  1  0.87  0.03  0.03  1.0
  V  V7  1  0.43  0.03  0.0  1.0
  Fe  Fe0  1  0.87  0.06  0.06  1.0
  Fe  Fe1  1  0.43  0.06  0.03  1.0
  Fe  Fe2  1  0.43  0.0  0.03  1.0

data_V5Fe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Fe3
_chemical_formula_sum   'V5 Fe3'
_cell_volume   94.56
_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
  V  V0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.1  0.97  0.07  1.0
  V  V2  1  0.51  0.94  0.48  1.0
  V  V3  1  0.56  -0.0  0.54  1.0
  V  V4  1  0.97  0.97  0.94  1.0
  Fe  Fe5  1  0.07  0.94  0.01  1.0
  Fe  Fe6  1  0.54  0.97  0.48  1.0
  Fe  Fe7  1  0.54  0.97  0.54  1.0

V V V V V Fe Fe Fe
FeV3(FeV)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one FeV cluster and one FeV3 cluster. In the FeV cluster, V(2,5) is bonded in an L-shaped geometry to two equivalent Fe(2,3) atoms. There is one shorter (0.17 Å) and one longer (0.24 Å) V(2,5)-Fe(2,3) bond length. Fe(2,3) is bonded in an L-shaped geometry to two equivalent V(2,5) atoms. In the FeV3 cluster, there are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted L-shaped geometry to one V(3) and one Fe(1) atom. The V(1)-V(3) bond length is 0.24 Å. The V(1)-Fe(1) bond length is 0.53 Å. In the second V site, V(3) is bonded in a distorted single-bond geometry to one V(1) atom. In the third V site, V(4) is bonded in a single-bond geometry to one Fe(1) atom. The V(4)-Fe(1) bond length is 0.24 Å. Fe(1) is bonded in a distorted L-shaped geometry to one V(1) and one V(4) atom.