data_NbTc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39
_cell_length_b   8.39
_cell_length_c   8.39
_cell_angle_alpha   20.93
_cell_angle_beta   20.93
_cell_angle_gamma   20.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc2Cl
_chemical_formula_sum   'Nb1 Tc2 Cl1'
_cell_volume   65.9
_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
  Nb  Nb1  1  0.0  0.0  0.3  1.0
  Tc  Tc2  1  0.0  0.0  0.1  1.0
  Tc  Tc3  1  0.0  0.0  0.5  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_NbTc2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   3.05
_cell_length_c   8.39
_cell_angle_alpha   90.0
_cell_angle_beta   102.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbTc2Cl
_chemical_formula_sum   'Nb2 Tc4 Cl2'
_cell_volume   131.8
_cell_formula_units_Z   2
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
  Nb  Nb0  2  0.0  0.0  0.7  1.0
  Tc  Tc1  2  0.0  0.0  0.5  1.0
  Tc  Tc2  2  0.0  0.0  0.9  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Nb Tc Tc Cl
NbTc2Cl is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbTc2Cl clusters. Nb(1) is bonded in a linear geometry to one Tc(1) and one Tc(2) atom. The Nb(1)-Tc(1) bond length is 1.69 Å. The Nb(1)-Tc(2) bond length is 1.69 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted single-bond geometry to one Nb(1) and one Cl(1) atom. The Tc(1)-Cl(1) bond length is 0.83 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Nb(1) atom. Cl(1) is bonded in a single-bond geometry to one Tc(1) atom.