data_K2BaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   11.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaRh
_chemical_formula_sum   'K2 Ba1 Rh1'
_cell_volume   181.25
_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  0.05  1.0
  K  K2  1  0.01  0.01  0.75  1.0
  Ba  Ba0  1  0.01  0.01  0.32  1.0
  Rh  Rh3  1  0.0  0.0  0.06  1.0

data_K2BaRh
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   11.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   K2BaRh
_chemical_formula_sum   'K2 Ba1 Rh1'
_cell_volume   181.25
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.05  1.0
  K  K1  1  0.0  0.0  0.75  1.0
  Ba  Ba2  1  0.0  0.0  0.32  1.0
  Rh  Rh3  1  0.0  0.0  0.06  1.0

K K Ba Rh
K K Ba Rh 0 3 o o o 0 1 o o - 0 2 o o o 1 3 o o + 1 1 + o o 1 1 o + o 2 3 o o o 
K2BaRh crystallizes in the monoclinic Cm 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 Rh(1) atom. The K(1)-K(2) bond length is 3.46 Å. The K(1)-Rh(1) bond length is 0.05 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. All K(2)-K(2) bond lengths are 4.01 Å. The K(2)-Ba(1) bond length is 4.80 Å. Ba(1) is bonded in a single-bond geometry to one K(2) and one Rh(1) atom. The Ba(1)-Rh(1) bond length is 2.95 Å. Rh(1) is bonded in a single-bond geometry to one K(1) and one Ba(1) atom.