data_Hf3Tc4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.04
_cell_length_b   12.04
_cell_length_c   12.04
_cell_angle_alpha   164.74
_cell_angle_beta   164.74
_cell_angle_gamma   21.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Tc4
_chemical_formula_sum   'Hf3 Tc4'
_cell_volume   120.78
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.93  1.0
  Hf  Hf2  1  0.0  0.0  0.72  1.0
  Tc  Tc3  1  0.0  0.0  0.15  1.0
  Tc  Tc4  1  0.0  0.0  0.13  1.0
  Tc  Tc5  1  0.0  0.0  0.51  1.0
  Tc  Tc6  1  0.0  0.0  0.49  1.0

data_Hf3Tc4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   12.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf3Tc4
_chemical_formula_sum   'Hf6 Tc8'
_cell_volume   241.56
_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
  Hf  Hf0  2  0.0  0.0  0.0  1.0
  Hf  Hf1  2  0.0  0.0  0.07  1.0
  Hf  Hf2  2  0.0  0.0  0.28  1.0
  Tc  Tc3  2  0.0  0.0  0.49  1.0
  Tc  Tc4  2  0.0  0.0  0.51  1.0
  Tc  Tc5  2  0.0  0.0  0.85  1.0
  Tc  Tc6  2  0.0  0.0  0.87  1.0

Hf Hf Hf Tc Tc Tc Tc
Hf Hf Hf Tc Tc Tc Tc 0 1 o o - 1 2 o o o 2 6 o o o 2 5 o o o 3 4 o o o 5 6 o o o 
(HfTc)2HfTc2 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfTc clusters and two HfTc2 clusters. In each HfTc cluster, there are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a linear geometry to one Hf(2) and one Tc(2) atom. The Hf(1)-Hf(2) bond length is 0.87 Å. The Hf(1)-Tc(2) bond length is 1.60 Å. In the second Hf site, Hf(2) is bonded in a single-bond geometry to one Hf(1) atom. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to 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 a linear geometry to one Hf(1) and one Tc(1) atom. In each HfTc2 cluster, Hf(3) is bonded in a distorted single-bond geometry to one Tc(3) atom. The Hf(3)-Tc(3) bond length is 2.47 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(3) is bonded in a distorted linear geometry to one Hf(3) and one Tc(4) atom. The Tc(3)-Tc(4) bond length is 0.23 Å. In the second Tc site, Tc(4) is bonded in a single-bond geometry to one Tc(3) atom.