data_Zn2BOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   145.37
_cell_angle_beta   136.66
_cell_angle_gamma   56.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2BOs
_chemical_formula_sum   'Zn2 B1 Os1'
_cell_volume   47.78
_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
  Zn  Zn2  1  0.0  0.84  0.43  1.0
  Zn  Zn3  1  0.48  0.0  0.96  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.38  1.0

data_Zn2BOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.68
_cell_length_c   4.98
_cell_angle_alpha   111.67
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2BOs
_chemical_formula_sum   'Zn2 B1 Os1'
_cell_volume   47.78
_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
  Zn  Zn0  1  0.0  0.96  0.47  1.0
  Zn  Zn1  1  0.16  0.59  0.59  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.38  0.38  1.0

Zn Zn B Os
Zn Zn B Os 0 3 o + o 0 1 o + o 0 2 o + + 1 3 o o o 1 3 + o + 2 3 o o o 
OsZn2B crystallizes in the triclinic P1 space group. Os(1) is bonded in a distorted single-bond geometry to one Zn(1), one Zn(2), and one B(1) atom. The Os(1)-Zn(1) bond length is 0.99 Å. The Os(1)-Zn(2) bond length is 1.79 Å. The Os(1)-B(1) bond length is 1.91 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Os(1) and two equivalent B(1) atoms. There is one shorter (2.24 Å) and one longer (2.71 Å) Zn(1)-B(1) bond length. In the second Zn site, Zn(2) is bonded in a 1-coordinate geometry to one Os(1) and two equivalent B(1) atoms. There is one shorter (2.43 Å) and one longer (2.56 Å) Zn(2)-B(1) bond length. B(1) is bonded in a 5-coordinate geometry to one Os(1), two equivalent Zn(1), and two equivalent Zn(2) atoms.