data_K2BaTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.22
_cell_length_c   12.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaTi
_chemical_formula_sum   'K2 Ba1 Ti1'
_cell_volume   207.88
_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  0.1  1.0
  K  K2  1  0.04  0.11  0.38  1.0
  Ba  Ba0  1  0.04  0.11  0.76  1.0
  Ti  Ti3  1  0.0  0.0  0.87  1.0

data_K2BaTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.22
_cell_length_c   12.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaTi
_chemical_formula_sum   'K2 Ba1 Ti1'
_cell_volume   207.88
_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  K0  1  0.0  0.0  0.1  1.0
  K  K1  1  0.04  0.11  0.38  1.0
  Ba  Ba2  1  0.04  0.11  0.76  1.0
  Ti  Ti3  1  0.0  0.0  0.87  1.0

K K Ba Ti
K2BaTi crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a single-bond geometry to one K(2) and one Ti(1) atom. The K(1)-K(2) bond length is 3.42 Å. The K(1)-Ti(1) bond length is 2.79 Å. In the second K site, K(2) is bonded to one K(1), four equivalent K(2), and one Ba(1) atom to form a mixture of edge and corner-sharing KK5Ba octahedra. The corner-sharing octahedra are not tilted. There are two shorter (4.08 Å) and two longer (4.22 Å) K(2)-K(2) bond lengths. The K(2)-Ba(1) bond length is 4.57 Å. Ba(1) is bonded in a single-bond geometry to one K(2) and one Ti(1) atom. The Ba(1)-Ti(1) bond length is 1.40 Å. Ti(1) is bonded in a distorted single-bond geometry to one K(1) and one Ba(1) atom.