data_KPtBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   3.97
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   104.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPtBr2
_chemical_formula_sum   'K1 Pt1 Br2'
_cell_volume   120.8
_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  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.46  0.0  0.28  1.0
  Br  Br0  1  0.77  0.98  0.78  1.0
  Br  Br1  1  0.16  0.98  0.79  1.0

data_KPtBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.63
_cell_length_c   6.79
_cell_angle_alpha   104.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPtBr2
_chemical_formula_sum   'K1 Pt1 Br2'
_cell_volume   120.8
_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  0.0  1.0
  Pt  Pt1  1  0.0  0.54  0.72  1.0
  Br  Br2  1  0.02  0.23  0.22  1.0
  Br  Br3  1  0.02  0.84  0.21  1.0

K Pt Br Br
K Pt Br Br 0 2 - - - 0 3 o - - 0 1 o o o 2 3 + o o 
KPtBr2 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KPtBr2 cluster. K(1) is bonded in a 2-coordinate geometry to one Pt(1), one Br(1), and one Br(2) atom. The K(1)-Pt(1) bond length is 2.50 Å. The K(1)-Br(1) bond length is 1.62 Å. The K(1)-Br(2) bond length is 1.75 Å. Pt(1) is bonded in a 1-coordinate geometry to one K(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one K(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one K(1) atom.