data_TcRu2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcRu2Au
_chemical_formula_sum   'Tc1 Ru2 Au1'
_cell_volume   60.35
_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
  Ru  Ru1  1  0.38  0.38  0.08  1.0
  Ru  Ru2  1  0.38  0.38  0.83  1.0
  Au  Au0  1  0.0  0.0  0.95  1.0

data_TcRu2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcRu2Au
_chemical_formula_sum   'Tc2 Ru4 Au2'
_cell_volume   120.69
_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
  Tc  Tc0  2  0.0  0.0  0.0  1.0
  Ru  Ru1  2  0.38  0.0  0.08  1.0
  Ru  Ru2  2  0.38  0.0  0.83  1.0
  Au  Au3  2  0.0  0.0  0.95  1.0

Tc Ru Ru Au
TcRu2Au crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TcRu2Au clusters. Tc(1) is bonded in a single-bond geometry to one Ru(1) and one Au(1) atom. The Tc(1)-Ru(1) bond length is 1.62 Å. The Tc(1)-Au(1) bond length is 0.36 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 1-coordinate geometry to one Tc(1) atom. In the second Ru site, Ru(2) is bonded in a 1-coordinate geometry to one Au(1) atom. The Ru(2)-Au(1) bond length is 1.79 Å. Au(1) is bonded in a single-bond geometry to one Tc(1) and one Ru(2) atom.