data_TcHgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   4.88
_cell_angle_alpha   90.78
_cell_angle_beta   90.78
_cell_angle_gamma   42.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgB2
_chemical_formula_sum   'Tc1 Hg1 B2'
_cell_volume   57.41
_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
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.83  0.0  0.44  1.0
  B  B0  1  0.26  0.0  0.0  1.0
  B  B1  1  0.41  0.0  0.88  1.0

data_TcHgB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.16
_cell_length_c   4.88
_cell_angle_alpha   90.78
_cell_angle_beta   90.0
_cell_angle_gamma   111.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgB2
_chemical_formula_sum   'Tc1 Hg1 B2'
_cell_volume   57.41
_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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.17  0.56  1.0
  B  B2  1  0.0  0.59  0.12  1.0
  B  B3  1  0.0  0.74  1.0  1.0

Tc Hg B B
TcHgB2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TcHgB2 cluster. Tc(1) is bonded in a distorted single-bond geometry to one Hg(1) and one B(1) atom. The Tc(1)-Hg(1) bond length is 2.26 Å. The Tc(1)-B(1) bond length is 1.07 Å. Hg(1) is bonded in a 1-coordinate geometry to one Tc(1) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted bent 150 degrees geometry to one Tc(1) and one B(2) atom. The B(1)-B(2) bond length is 0.88 Å. In the second B site, B(2) is bonded in a distorted single-bond geometry to one B(1) atom.