data_HfScTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   21.57
_cell_angle_beta   21.57
_cell_angle_gamma   21.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScTc2
_chemical_formula_sum   'Hf1 Sc1 Tc2'
_cell_volume   70.99
_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  0.35  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.14  1.0
  Tc  Tc3  1  0.0  0.0  0.56  1.0

data_HfScTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   3.16
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   102.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfScTc2
_chemical_formula_sum   'Hf2 Sc2 Tc4'
_cell_volume   141.98
_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  0.65  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  -0.0  0.0  0.44  1.0
  Tc  Tc3  2  -0.0  0.0  0.86  1.0

Hf Sc Tc Tc
ScHfTc2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScHfTc2 clusters. Sc(1) is bonded in a single-bond geometry to one Tc(1) atom. The Sc(1)-Tc(1) bond length is 1.20 Å. Hf(1) is bonded in a linear geometry to one Tc(1) and one Tc(2) atom. The Hf(1)-Tc(1) bond length is 1.74 Å. The Hf(1)-Tc(2) bond length is 1.74 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a linear geometry to one Sc(1) and one Hf(1) atom. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Hf(1) atom.