data_VFe6Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   10.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe6Tc
_chemical_formula_sum   'V4 Fe24 Tc4'
_cell_volume   362.21
_cell_formula_units_Z   4
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  0.56  0.49  0.0  1.0
  V  V29  1  0.56  0.51  0.0  1.0
  V  V30  1  0.0  0.0  0.59  1.0
  V  V31  1  0.0  0.0  0.49  1.0
  Fe  Fe0  1  0.56  0.47  0.56  1.0
  Fe  Fe1  1  0.78  0.74  0.82  1.0
  Fe  Fe2  1  0.35  0.26  0.82  1.0
  Fe  Fe3  1  0.56  0.53  0.56  1.0
  Fe  Fe4  1  0.35  0.74  0.82  1.0
  Fe  Fe5  1  0.78  0.26  0.82  1.0
  Fe  Fe6  1  0.0  0.0  0.04  1.0
  Fe  Fe7  1  0.35  0.26  0.3  1.0
  Fe  Fe8  1  0.35  0.74  0.3  1.0
  Fe  Fe9  1  0.56  0.47  0.52  1.0
  Fe  Fe10  1  0.78  0.74  0.78  1.0
  Fe  Fe11  1  0.35  0.26  0.78  1.0
  Fe  Fe12  1  0.56  0.53  0.52  1.0
  Fe  Fe13  1  0.35  0.74  0.78  1.0
  Fe  Fe14  1  0.78  0.26  0.78  1.0
  Fe  Fe15  1  0.0  0.0  0.0  1.0
  Fe  Fe16  1  0.35  0.26  0.26  1.0
  Fe  Fe17  1  0.35  0.74  0.26  1.0
  Fe  Fe18  1  0.56  0.0  0.04  1.0
  Fe  Fe19  1  0.78  0.26  0.3  1.0
  Fe  Fe20  1  0.78  0.74  0.3  1.0
  Fe  Fe21  1  0.56  0.0  0.0  1.0
  Fe  Fe22  1  0.78  0.26  0.26  1.0
  Fe  Fe23  1  0.78  0.74  0.26  1.0
  Tc  Tc24  1  0.56  0.48  0.04  1.0
  Tc  Tc25  1  0.56  0.52  0.04  1.0
  Tc  Tc26  1  0.56  0.0  0.59  1.0
  Tc  Tc27  1  0.56  0.0  0.49  1.0

data_VFe6Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   10.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe6Tc
_chemical_formula_sum   'V4 Fe24 Tc4'
_cell_volume   362.21
_cell_formula_units_Z   4
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  0.49  1.0
  V  V1  1  0.0  0.0  0.59  1.0
  V  V2  1  0.56  0.49  0.0  1.0
  V  V3  1  0.56  0.51  0.0  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Fe  Fe5  1  0.0  0.0  0.04  1.0
  Fe  Fe6  1  0.35  0.26  0.26  1.0
  Fe  Fe7  1  0.35  0.26  0.82  1.0
  Fe  Fe8  1  0.35  0.74  0.26  1.0
  Fe  Fe9  1  0.35  0.74  0.82  1.0
  Fe  Fe10  1  0.35  0.26  0.3  1.0
  Fe  Fe11  1  0.35  0.26  0.78  1.0
  Fe  Fe12  1  0.35  0.74  0.3  1.0
  Fe  Fe13  1  0.35  0.74  0.78  1.0
  Fe  Fe14  1  0.56  0.0  0.0  1.0
  Fe  Fe15  1  0.56  0.0  0.04  1.0
  Fe  Fe16  1  0.56  0.47  0.52  1.0
  Fe  Fe17  1  0.56  0.47  0.56  1.0
  Fe  Fe18  1  0.56  0.53  0.52  1.0
  Fe  Fe19  1  0.56  0.53  0.56  1.0
  Fe  Fe20  1  0.78  0.26  0.3  1.0
  Fe  Fe21  1  0.78  0.26  0.78  1.0
  Fe  Fe22  1  0.78  0.74  0.3  1.0
  Fe  Fe23  1  0.78  0.74  0.78  1.0
  Fe  Fe24  1  0.78  0.26  0.26  1.0
  Fe  Fe25  1  0.78  0.26  0.82  1.0
  Fe  Fe26  1  0.78  0.74  0.26  1.0
  Fe  Fe27  1  0.78  0.74  0.82  1.0
  Tc  Tc28  1  0.56  0.0  0.49  1.0
  Tc  Tc29  1  0.56  0.0  0.59  1.0
  Tc  Tc30  1  0.56  0.48  0.04  1.0
  Tc  Tc31  1  0.56  0.52  0.04  1.0

V V 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 Tc Tc Tc Tc
VVTcTc(Fe)12 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of ten iron molecules, one vanadium molecule, one Fe cluster, one Tc cluster, and one VTc cluster. In the Fe cluster, there are two inequivalent Fe sites. In the first Fe site, Fe(1,10) is bonded in a distorted L-shaped geometry to one Fe(1,10) and one Fe(4,13) atom. The Fe(1,10)-Fe(1,10) bond length is 0.39 Å. The Fe(1,10)-Fe(4,13) bond length is 0.32 Å. In the second Fe site, Fe(4,13) is bonded in an L-shaped geometry to one Fe(1,10) and one Fe(4,13) atom. The Fe(4,13)-Fe(4,13) bond length is 0.39 Å. In the Tc cluster, Tc(3,4) is bonded in a distorted single-bond geometry to one Tc(3,4) atom. The Tc(3,4)-Tc(3,4) bond length is 1.00 Å. In the VTc cluster, there are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted L-shaped geometry to one V(2) and one Tc(1) atom. The V(1)-V(2) bond length is 0.14 Å. The V(1)-Tc(1) bond length is 0.42 Å. In the second V site, V(2) is bonded in a distorted L-shaped geometry to one V(1) and one Tc(2) atom. The V(2)-Tc(2) bond length is 0.42 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in an L-shaped geometry to one V(1) and one Tc(2) atom. The Tc(1)-Tc(2) bond length is 0.23 Å. In the second Tc site, Tc(2) is bonded in an L-shaped geometry to one V(2) and one Tc(1) atom.