data_BiIr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   150.49
_cell_angle_beta   129.34
_cell_angle_gamma   59.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2Os
_chemical_formula_sum   'Bi1 Ir2 Os1'
_cell_volume   69.75
_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
  Bi  Bi0  1  0.0  0.0  0.94  1.0
  Ir  Ir1  1  0.0  0.44  0.65  1.0
  Ir  Ir2  1  0.45  0.0  0.28  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_BiIr2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.87
_cell_length_c   5.69
_cell_angle_alpha   115.33
_cell_angle_beta   104.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2Os
_chemical_formula_sum   'Bi1 Ir2 Os1'
_cell_volume   69.75
_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
  Bi  Bi0  1  0.06  0.06  0.06  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.17  0.72  0.17  1.0
  Ir  Ir3  1  0.35  0.78  0.78  1.0

Bi Ir Ir Os
OsIr2Bi crystallizes in the triclinic P1 space group. Os(1) is bonded in a single-bond geometry to one Ir(2), two equivalent Ir(1), and one Bi(1) atom. The Os(1)-Ir(2) bond length is 1.98 Å. There is one shorter (1.78 Å) and one longer (1.98 Å) Os(1)-Ir(1) bond length. The Os(1)-Bi(1) bond length is 0.36 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted water-like geometry to two equivalent Os(1) and two equivalent Ir(2) atoms. There is one shorter (2.52 Å) and one longer (3.28 Å) Ir(1)-Ir(2) bond length. In the second Ir site, Ir(2) is bonded in a 7-coordinate geometry to one Os(1), two equivalent Ir(1), two equivalent Ir(2), and two equivalent Bi(1) atoms. Both Ir(2)-Ir(2) bond lengths are 2.90 Å. There is one shorter (2.01 Å) and one longer (2.98 Å) Ir(2)-Bi(1) bond length. Bi(1) is bonded in a single-bond geometry to one Os(1) and two equivalent Ir(2) atoms.