data_Li2TcCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   157.69
_cell_angle_beta   155.54
_cell_angle_gamma   33.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcCl
_chemical_formula_sum   'Li2 Tc1 Cl1'
_cell_volume   63.07
_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
  Li  Li1  1  0.0  0.56  0.27  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.56  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.13  1.0

data_Li2TcCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.13
_cell_length_c   7.38
_cell_angle_alpha   102.23
_cell_angle_beta   101.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcCl
_chemical_formula_sum   'Li2 Tc1 Cl1'
_cell_volume   63.07
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.44  0.7  0.7  1.0
  Tc  Tc2  1  0.44  0.24  0.24  1.0
  Cl  Cl3  1  0.0  0.13  0.13  1.0

Li Li Tc Cl
Li Li Tc Cl 0 0 + o + 0 0 o + + 0 1 o + + 0 1 o o o 0 3 o o o 1 3 o o o 2 3 o + + 
Li2TcCl crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Li(2), four equivalent Li(1), and one Tc(1) atom to form a mixture of distorted corner and edge-sharing LiLi6Tc hexagonal pyramids. There is one shorter (2.47 Å) and one longer (2.74 Å) Li(1)-Li(2) bond length. There are two shorter (2.85 Å) and two longer (3.13 Å) Li(1)-Li(1) bond lengths. The Li(1)-Tc(1) bond length is 3.38 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to two equivalent Li(1) and one Cl(1) atom. The Li(2)-Cl(1) bond length is 0.94 Å. Tc(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and two equivalent Cl(1) atoms. There is one shorter (1.37 Å) and one longer (1.96 Å) Tc(1)-Cl(1) bond length. Cl(1) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent Tc(1) atoms.