data_BaHfTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48
_cell_length_b   9.48
_cell_length_c   9.48
_cell_angle_alpha   19.81
_cell_angle_beta   19.81
_cell_angle_gamma   19.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHfTc2
_chemical_formula_sum   'Ba1 Hf1 Tc2'
_cell_volume   85.51
_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  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.93  1.0
  Tc  Tc2  1  0.0  0.0  0.23  1.0
  Tc  Tc3  1  0.0  0.0  0.63  1.0

data_BaHfTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.65
_cell_length_b   3.26
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   101.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaHfTc2
_chemical_formula_sum   'Ba2 Hf2 Tc4'
_cell_volume   171.03
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Hf  Hf1  2  0.0  0.0  0.07  1.0
  Tc  Tc2  2  0.0  0.0  0.37  1.0
  Tc  Tc3  2  0.0  0.0  0.77  1.0

Ba Hf Tc Tc
BaHfTc2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaHfTc2 clusters. Ba(1) is bonded in a distorted single-bond geometry to one Hf(1) and one Tc(1) atom. The Ba(1)-Hf(1) bond length is 0.64 Å. The Ba(1)-Tc(1) bond length is 2.20 Å. Hf(1) is bonded in a single-bond geometry to one Ba(1) and one Tc(2) atom. The Hf(1)-Tc(2) bond length is 2.85 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one Ba(1) atom. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Hf(1) atom.