data_ScIrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.3
_cell_length_b   9.3
_cell_length_c   9.3
_cell_angle_alpha   17.31
_cell_angle_beta   17.31
_cell_angle_gamma   17.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIrOs2
_chemical_formula_sum   'Sc1 Ir1 Os2'
_cell_volume   62.2
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.74  1.0
  Os  Os1  1  0.0  0.0  0.79  1.0
  Os  Os2  1  0.0  0.0  0.69  1.0

data_ScIrOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   2.8
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   100.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScIrOs2
_chemical_formula_sum   'Sc2 Ir2 Os4'
_cell_volume   124.41
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  -0.0  0.0  0.21  1.0
  Ir  Ir2  2  0.0  0.0  0.26  1.0
  Os  Os3  2  0.0  0.0  0.31  1.0

Sc Ir Os Os
Sc Ir Os Os 0 2 o o - 1 3 o o o 1 2 o o o 
ScOs2Ir is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScOs2Ir clusters. Sc(1) is bonded in a single-bond geometry to one Os(1) atom. The Sc(1)-Os(1) bond length is 1.95 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a linear geometry to one Sc(1) and one Ir(1) atom. The Os(1)-Ir(1) bond length is 0.45 Å. In the second Os site, Os(2) is bonded in a single-bond geometry to one Ir(1) atom. The Os(2)-Ir(1) bond length is 0.45 Å. Ir(1) is bonded in a linear geometry to one Os(1) and one Os(2) atom.