data_TcHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.91
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg3
_chemical_formula_sum   'Tc1 Hg3'
_cell_volume   79.7
_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  0.8  1.0
  Hg  Hg0  1  0.0  0.46  0.07  1.0
  Hg  Hg1  1  0.51  0.46  0.6  1.0
  Hg  Hg2  1  0.51  0.0  0.46  1.0

data_TcHg3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.91
_cell_length_b   3.03
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TcHg3
_chemical_formula_sum   'Tc1 Hg3'
_cell_volume   79.7
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.8  1.0
  Hg  Hg1  1  0.0  0.5  0.46  1.0
  Hg  Hg2  1  0.46  0.0  0.07  1.0
  Hg  Hg3  1  0.46  0.5  0.6  1.0

Tc Hg Hg Hg
Tc Hg Hg Hg 0 3 - o o 0 3 o o o 0 2 - o o 0 2 o o o 0 2 o - o 0 2 - - o 0 0 + o o 0 1 o o + 0 1 o - + 1 3 - o o 1 3 o o o 1 2 - o - 1 2 - o o 1 2 o o - 1 2 o o o 1 1 + o o 2 2 + o o 2 3 o o o 2 3 o + o 
TcHg3 is beta Plutonium-derived structured and crystallizes in the triclinic P1 space group. Tc(1) is bonded in a 10-coordinate geometry to two equivalent Tc(1), two equivalent Hg(1), two equivalent Hg(3), and four equivalent Hg(2) atoms. Both Tc(1)-Tc(1) bond lengths are 3.03 Å. There is one shorter (2.67 Å) and one longer (3.03 Å) Tc(1)-Hg(1) bond length. There is one shorter (2.34 Å) and one longer (2.40 Å) Tc(1)-Hg(3) bond length. There are a spread of Tc(1)-Hg(2) bond distances ranging from 2.89-3.27 Å. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to two equivalent Tc(1) and four equivalent Hg(2) atoms. There are a spread of Hg(1)-Hg(2) bond distances ranging from 2.92-3.23 Å. In the second Hg site, Hg(2) is bonded to four equivalent Tc(1), two equivalent Hg(2), two equivalent Hg(3), and four equivalent Hg(1) atoms to form a mixture of distorted corner, edge, and face-sharing HgTc4Hg8 cuboctahedra. Both Hg(2)-Hg(2) bond lengths are 3.03 Å. There is one shorter (2.37 Å) and one longer (2.77 Å) Hg(2)-Hg(3) bond length. In the third Hg site, Hg(3) is bonded in a 2-coordinate geometry to two equivalent Tc(1) and two equivalent Hg(2) atoms.