data_KTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   4.98
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcIr2
_chemical_formula_sum   'K1 Tc1 Ir2'
_cell_volume   68.77
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.36  0.49  0.0  1.0
  Ir  Ir0  1  0.36  0.0  0.53  1.0
  Ir  Ir1  1  0.0  0.49  0.53  1.0

data_KTcIr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.73
_cell_length_b   4.98
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KTcIr2
_chemical_formula_sum   'K1 Tc1 Ir2'
_cell_volume   68.77
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.36  0.5  -0.0  1.0
  Ir  Ir2  1  0.0  0.5  0.53  1.0
  Ir  Ir3  1  0.36  0.0  0.53  1.0

K Tc Ir Ir
KTcIr2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 4-coordinate geometry to four equivalent Tc(1) and two equivalent Ir(1) atoms. There are a spread of K(1)-Tc(1) bond distances ranging from 2.64-3.07 Å. There is one shorter (2.57 Å) and one longer (2.86 Å) K(1)-Ir(1) bond length. Tc(1) is bonded in a 10-coordinate geometry to four equivalent K(1), two equivalent Tc(1), and four equivalent Ir(2) atoms. Both Tc(1)-Tc(1) bond lengths are 2.73 Å. There are a spread of Tc(1)-Ir(2) bond distances ranging from 2.57-3.20 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 2-coordinate geometry to two equivalent K(1) atoms. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to four equivalent Tc(1) atoms.