data_Tl2TcAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcAs
_chemical_formula_sum   'Tl2 Tc1 As1'
_cell_volume   82.68
_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
  Tl  Tl2  1  0.82  0.82  0.59  1.0
  Tl  Tl3  1  0.82  0.82  0.62  1.0
  Tc  Tc1  1  0.0  0.0  0.11  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Tl2TcAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2TcAs
_chemical_formula_sum   'Tl4 Tc2 As2'
_cell_volume   165.37
_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
  Tl  Tl0  2  0.32  0.5  0.59  1.0
  Tl  Tl1  2  0.32  0.5  0.62  1.0
  Tc  Tc2  2  0.0  0.0  0.11  1.0
  As  As3  2  0.0  0.0  0.0  1.0

Tl Tl Tc As
Tl Tl Tc As 0 1 o o o 2 3 o o o 
TcTl2As is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TcTl2As clusters. Tc(1) is bonded in a single-bond geometry to one As(1) atom. The Tc(1)-As(1) bond length is 0.67 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Tl(2) atom. The Tl(1)-Tl(2) bond length is 0.18 Å. In the second Tl site, Tl(2) is bonded in a distorted bent 150 degrees geometry to one Tl(1) and one As(1) atom. The Tl(2)-As(1) bond length is 2.52 Å. As(1) is bonded in a distorted single-bond geometry to one Tc(1) and one Tl(2) atom.