data_BaV2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.88
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   101.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Tc
_chemical_formula_sum   'Ba1 V2 Tc1'
_cell_volume   87.67
_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
  Ba  Ba0  1  0.19  0.94  0.71  1.0
  V  V2  1  0.58  0.94  0.33  1.0
  V  V3  1  0.22  0.0  0.05  1.0
  Tc  Tc1  1  0.47  0.0  0.32  1.0

data_BaV2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.88
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   101.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Tc
_chemical_formula_sum   'Ba1 V2 Tc1'
_cell_volume   87.67
_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
  Ba  Ba0  1  0.19  0.94  0.71  1.0
  V  V1  1  0.22  0.0  0.05  1.0
  V  V2  1  0.58  0.94  0.33  1.0
  Tc  Tc3  1  0.47  0.0  0.32  1.0

Ba V V Tc
BaV2Tc crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaV2Tc cluster. Ba(1) is bonded in a 1-coordinate geometry to one V(2) atom. The Ba(1)-V(2) bond length is 2.53 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one Tc(1) atom. The V(1)-Tc(1) bond length is 0.40 Å. In the second V site, V(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Tc(1) atom. The V(2)-Tc(1) bond length is 2.06 Å. Tc(1) is bonded in a single-bond geometry to one V(1) and one V(2) atom.