data_K2IrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2IrBr
_chemical_formula_sum   'K2 Ir1 Br1'
_cell_volume   132.27
_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  0.88  0.0  1.0  1.0
  K  K3  1  0.0  0.88  1.0  1.0
  Ir  Ir1  1  0.88  0.88  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_K2IrBr
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   4.0
_cell_length_b   8.14
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   K2IrBr
_chemical_formula_sum   'K4 Ir2 Br2'
_cell_volume   264.55
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.0  0.06  0.94  1.0
  Ir  Ir1  2  0.0  0.0  0.88  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

K K Ir Br
K K Ir Br 0 2 o - + 0 3 + o + 1 2 - o + 1 3 o + + 
K2IrBr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two K2IrBr clusters. K(1) is bonded in an L-shaped geometry to one Ir(1) and one Br(1) atom. The K(1)-Ir(1) bond length is 0.71 Å. The K(1)-Br(1) bond length is 0.71 Å. Ir(1) is bonded in an L-shaped geometry to two equivalent K(1) atoms. Br(1) is bonded in an L-shaped geometry to two equivalent K(1) atoms.