data_KNb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.23
_cell_length_b   11.23
_cell_length_c   11.23
_cell_angle_alpha   14.97
_cell_angle_beta   14.97
_cell_angle_gamma   14.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2Os
_chemical_formula_sum   'K1 Nb2 Os1'
_cell_volume   82.28
_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
  Nb  Nb1  1  0.0  0.0  0.54  1.0
  Nb  Nb2  1  0.0  0.0  0.77  1.0
  Os  Os3  1  0.0  0.0  0.65  1.0

data_KNb2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   2.93
_cell_length_c   11.23
_cell_angle_alpha   90.0
_cell_angle_beta   98.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNb2Os
_chemical_formula_sum   'K2 Nb4 Os2'
_cell_volume   164.57
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  2  -0.0  0.0  0.46  1.0
  Nb  Nb2  2  -0.0  0.0  0.23  1.0
  Os  Os3  2  -0.0  0.0  0.35  1.0

K Nb Nb Os
KNb2Os is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KNb2Os clusters. K(1) is bonded in a single-bond geometry to one Nb(2) atom. The K(1)-Nb(2) bond length is 2.63 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Os(1) atom. The Nb(1)-Os(1) bond length is 1.25 Å. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one K(1) and one Os(1) atom. The Nb(2)-Os(1) bond length is 1.25 Å. Os(1) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom.