data_VFe14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75
_cell_length_b   8.75
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe14
_chemical_formula_sum   'V2 Fe28'
_cell_volume   353.41
_cell_formula_units_Z   2
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  V28  1  0.37  0.37  0.31  1.0
  V  V29  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.1  0.1  0.46  1.0
  Fe  Fe1  1  0.65  0.65  0.46  1.0
  Fe  Fe2  1  0.02  0.73  0.15  1.0
  Fe  Fe3  1  0.73  0.02  0.15  1.0
  Fe  Fe4  1  0.02  0.73  0.47  1.0
  Fe  Fe5  1  0.73  0.02  0.47  1.0
  Fe  Fe6  1  0.1  0.1  0.16  1.0
  Fe  Fe7  1  0.65  0.65  0.16  1.0
  Fe  Fe8  1  0.91  0.65  0.31  1.0
  Fe  Fe9  1  0.84  0.1  0.31  1.0
  Fe  Fe10  1  0.48  0.53  0.0  1.0
  Fe  Fe11  1  0.27  0.22  0.0  1.0
  Fe  Fe12  1  0.22  0.27  0.0  1.0
  Fe  Fe13  1  0.53  0.48  0.0  1.0
  Fe  Fe14  1  0.65  0.91  0.31  1.0
  Fe  Fe15  1  0.1  0.84  0.31  1.0
  Fe  Fe16  1  0.52  0.3  0.31  1.0
  Fe  Fe17  1  0.23  0.45  0.31  1.0
  Fe  Fe18  1  0.08  0.15  0.0  1.0
  Fe  Fe19  1  0.67  0.6  0.0  1.0
  Fe  Fe20  1  0.6  0.67  0.0  1.0
  Fe  Fe21  1  0.15  0.08  0.0  1.0
  Fe  Fe22  1  0.3  0.52  0.31  1.0
  Fe  Fe23  1  0.45  0.23  0.31  1.0
  Fe  Fe24  1  0.85  0.89  0.31  1.0
  Fe  Fe25  1  0.89  0.85  0.31  1.0
  Fe  Fe26  1  0.48  0.48  0.0  1.0
  Fe  Fe27  1  0.27  0.27  0.0  1.0

data_VFe14
_symmetry_space_group_name_H-M   Cm
_cell_length_a   12.37
_cell_length_b   12.37
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VFe14
_chemical_formula_sum   'V4 Fe56'
_cell_volume   706.82
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  V  V1  2  0.37  0.0  0.31  1.0
  Fe  Fe2  4  0.01  0.47  0.0  1.0
  Fe  Fe3  4  0.11  0.03  0.0  1.0
  Fe  Fe4  4  0.14  0.47  0.0  1.0
  Fe  Fe5  4  0.24  0.03  0.0  1.0
  Fe  Fe6  4  0.28  0.37  0.31  1.0
  Fe  Fe7  4  0.34  0.11  0.31  1.0
  Fe  Fe8  4  0.37  0.35  0.15  1.0
  Fe  Fe9  4  0.37  0.35  0.47  1.0
  Fe  Fe10  4  0.37  0.48  0.31  1.0
  Fe  Fe11  4  0.41  0.11  0.31  1.0
  Fe  Fe12  4  0.47  0.37  0.31  1.0
  Fe  Fe13  2  0.1  0.0  0.16  1.0
  Fe  Fe14  2  0.1  0.0  0.46  1.0
  Fe  Fe15  2  0.15  0.5  0.16  1.0
  Fe  Fe16  2  0.15  0.5  0.46  1.0
  Fe  Fe17  2  0.27  0.0  0.0  1.0
  Fe  Fe18  2  0.48  0.0  0.0  1.0

V V Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe
VFe10VFe14(Fe)4 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Fe clusters, two VFe10 clusters, and two VFe14 clusters. In each Fe cluster, there are three inequivalent Fe sites. In the first Fe site, Fe(6) is bonded in a 3-coordinate geometry to one Fe(2) and two equivalent Fe(14) atoms. The Fe(6)-Fe(2) bond length is 1.37 Å. Both Fe(6)-Fe(14) bond lengths are 0.87 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(6) atom. In the third Fe site, Fe(14) is bonded in a 2-coordinate geometry to one Fe(14) and one Fe(6) atom. The Fe(14)-Fe(14) bond length is 0.84 Å. In each VFe10 cluster, V(1) is bonded in an octahedral geometry to two equivalent Fe(16,17) and four equivalent Fe(11,12) atoms. Both V(1)-Fe(16,17) bond lengths are 1.93 Å. All V(1)-Fe(11,12) bond lengths are 1.47 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(11,12) is bonded in a 2-coordinate geometry to one V(1) and one Fe(11,12) atom. The Fe(11,12)-Fe(11,12) bond length is 0.84 Å. In the second Fe site, Fe(9,10) is bonded in a 1-coordinate geometry to one Fe(16,17) atom. The Fe(9,10)-Fe(16,17) bond length is 0.48 Å. In the third Fe site, Fe(16,17) is bonded in a distorted L-shaped geometry to one V(1) and two equivalent Fe(9,10) atoms. In each VFe14 cluster, V(2) is bonded in a 3-coordinate geometry to one Fe(5), two equivalent Fe(13), and two equivalent Fe(8) atoms. The V(2)-Fe(5) bond length is 1.45 Å. Both V(2)-Fe(13) bond lengths are 1.47 Å. Both V(2)-Fe(8) bond lengths are 2.19 Å. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Fe(5) atom. The Fe(1)-Fe(5) bond length is 1.37 Å. In the second Fe site, Fe(3) is bonded in a 4-coordinate geometry to one Fe(15), one Fe(4), one Fe(7), and one Fe(8) atom. The Fe(3)-Fe(15) bond length is 1.75 Å. The Fe(3)-Fe(4) bond length is 1.48 Å. The Fe(3)-Fe(7) bond length is 1.43 Å. The Fe(3)-Fe(8) bond length is 1.43 Å. In the third Fe site, Fe(4) is bonded in a 4-coordinate geometry to one Fe(15), one Fe(3), one Fe(7), and one Fe(8) atom. The Fe(4)-Fe(15) bond length is 1.75 Å. The Fe(4)-Fe(7) bond length is 1.43 Å. The Fe(4)-Fe(8) bond length is 1.43 Å. In the fourth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one V(2), one Fe(1), and two equivalent Fe(13) atoms. Both Fe(5)-Fe(13) bond lengths are 0.87 Å. In the fifth Fe site, Fe(7) is bonded in a 3-coordinate geometry to one Fe(15), one Fe(3), and one Fe(4) atom. The Fe(7)-Fe(15) bond length is 1.83 Å. In the sixth Fe site, Fe(8) is bonded in a 4-coordinate geometry to one V(2), one Fe(15), one Fe(3), and one Fe(4) atom. The Fe(8)-Fe(15) bond length is 1.83 Å. In the seventh Fe site, Fe(13) is bonded in a 2-coordinate geometry to one V(2), one Fe(13), and one Fe(5) atom. The Fe(13)-Fe(13) bond length is 0.84 Å. In the eighth Fe site, Fe(15) is bonded in a single-bond geometry to one Fe(15), one Fe(3), one Fe(4), one Fe(7), and one Fe(8) atom. The Fe(15)-Fe(15) bond length is 0.50 Å.