data_K2BaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.39
_cell_length_b   13.39
_cell_length_c   13.39
_cell_angle_alpha   16.15
_cell_angle_beta   16.15
_cell_angle_gamma   16.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaIr
_chemical_formula_sum   'K2 Ba1 Ir1'
_cell_volume   162.16
_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  0.94  1.0
  K  K3  1  0.0  0.0  0.71  1.0
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.83  1.0

data_K2BaIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.52
_cell_length_b   3.76
_cell_length_c   13.39
_cell_angle_alpha   90.0
_cell_angle_beta   99.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2BaIr
_chemical_formula_sum   'K4 Ba2 Ir2'
_cell_volume   324.33
_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
  K  K0  2  0.0  0.0  0.06  1.0
  K  K1  2  0.0  0.0  0.29  1.0
  Ba  Ba2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.17  1.0

K K Ba Ir
K2BaIr is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two K2BaIr clusters. There are two inequivalent K sites. In the first K site, K(1) is bonded in a linear geometry to one Ba(1) and one Ir(1) atom. The K(1)-Ba(1) bond length is 0.86 Å. The K(1)-Ir(1) bond length is 1.48 Å. In the second K site, K(2) is bonded in a single-bond geometry to one Ir(1) atom. The K(2)-Ir(1) bond length is 1.48 Å. Ba(1) is bonded in a single-bond geometry to one K(1) atom. Ir(1) is bonded in a linear geometry to one K(1) and one K(2) atom.