data_Li2TcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcIr
_chemical_formula_sum   'Li2 Tc1 Ir1'
_cell_volume   59.05
_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  0.0  0.29  1.0
  Li  Li2  1  0.41  0.41  0.88  1.0
  Tc  Tc3  1  0.0  0.0  0.86  1.0
  Ir  Ir0  1  0.41  0.41  0.52  1.0

data_Li2TcIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2TcIr
_chemical_formula_sum   'Li4 Tc2 Ir2'
_cell_volume   118.1
_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
  Li  Li0  2  0.0  0.0  0.29  1.0
  Li  Li1  2  0.41  0.0  0.88  1.0
  Tc  Tc2  2  0.0  0.0  0.86  1.0
  Ir  Ir3  2  0.41  0.0  0.52  1.0

Li Li Tc Ir
Li2TcIr crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 9-coordinate geometry to four equivalent Li(1), one Tc(1), and four equivalent Ir(1) atoms. All Li(1)-Li(1) bond lengths are 2.82 Å. The Li(1)-Tc(1) bond length is 3.25 Å. There are a spread of Li(1)-Ir(1) bond distances ranging from 2.35-2.89 Å. In the second Li site, Li(2) is bonded to four equivalent Tc(1) and one Ir(1) atom to form a mixture of distorted corner and edge-sharing LiTc4Ir square pyramids. There are a spread of Li(2)-Tc(1) bond distances ranging from 1.65-2.36 Å. The Li(2)-Ir(1) bond length is 2.63 Å. Tc(1) is bonded in a 4-coordinate geometry to one Li(1) and four equivalent Li(2) atoms. Ir(1) is bonded in a 5-coordinate geometry to one Li(2) and four equivalent Li(1) atoms.