data_K2Ba
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01
_cell_length_b   11.01
_cell_length_c   11.01
_cell_angle_alpha   156.92
_cell_angle_beta   156.92
_cell_angle_gamma   32.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Ba
_chemical_formula_sum   'K2 Ba1'
_cell_volume   204.84
_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  K1  1  0.0  0.0  0.06  1.0
  K  K2  1  0.0  0.0  0.05  1.0
  Ba  Ba0  1  0.0  0.0  0.0  1.0

data_K2Ba
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   106.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2Ba
_chemical_formula_sum   'K4 Ba2'
_cell_volume   409.68
_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  0.05  0.0  0.05  1.0
  K  K1  2  0.06  0.0  0.06  1.0
  Ba  Ba2  2  0.0  0.0  0.0  1.0

K K Ba
K2Ba is Cyanogen Chloride-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two K2Ba clusters. There are two inequivalent K sites. In the first K site, K(1) is bonded in a single-bond geometry to one K(2) atom. The K(1)-K(2) bond length is 0.12 Å. In the second K site, K(2) is bonded in a linear geometry to one K(1) and one Ba(1) atom. The K(2)-Ba(1) bond length is 0.58 Å. Ba(1) is bonded in a single-bond geometry to one K(2) atom.