data_K2BaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaTc
_chemical_formula_sum   'K2 Ba1 Tc1'
_cell_volume   182.75
_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  0.44  0.44  0.11  1.0
  K  K2  1  0.44  0.44  0.58  1.0
  Ba  Ba0  1  0.0  0.0  0.84  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_K2BaTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2BaTc
_chemical_formula_sum   'K4 Ba2 Tc2'
_cell_volume   365.5
_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  0.44  0.0  0.11  1.0
  K  K1  2  0.44  0.0  0.58  1.0
  Ba  Ba2  2  0.0  0.0  0.84  1.0
  Tc  Tc3  2  0.0  0.0  0.0  1.0

K K Ba Tc
K K Ba Tc 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o o - 0 2 o + - 0 2 + o - 0 1 o o - 0 1 o o o 1 3 o o + 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 2 3 o o + 
K2BaTc crystallizes in the monoclinic Cm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent K(2) and four equivalent Tc(1) atoms. There is one shorter (3.64 Å) and one longer (4.04 Å) K(1)-K(2) bond length. There are a spread of K(1)-Tc(1) bond distances ranging from 3.13-3.96 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent K(1) and four equivalent Ba(1) atoms. There are a spread of K(2)-Ba(1) bond distances ranging from 3.64-4.37 Å. Ba(1) is bonded in a single-bond geometry to four equivalent K(2) and one Tc(1) atom. The Ba(1)-Tc(1) bond length is 1.21 Å. Tc(1) is bonded in a single-bond geometry to four equivalent K(1) and one Ba(1) atom.