data_ScZnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnIr2
_chemical_formula_sum   'Sc1 Zn1 Ir2'
_cell_volume   63.57
_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  Sc2  1  0.0  0.0  0.88  1.0
  Zn  Zn3  1  0.65  0.65  0.52  1.0
  Ir  Ir0  1  0.0  0.0  0.63  1.0
  Ir  Ir1  1  0.65  0.65  0.55  1.0

data_ScZnIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScZnIr2
_chemical_formula_sum   'Sc2 Zn2 Ir4'
_cell_volume   127.15
_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  0.88  1.0
  Zn  Zn1  2  0.15  0.5  0.52  1.0
  Ir  Ir2  2  0.0  0.0  0.63  1.0
  Ir  Ir3  2  0.15  0.5  0.55  1.0

Sc Zn Ir Ir
Sc Zn Ir Ir 0 2 o o o 1 3 o o o 1 2 + + o 2 3 - - o 
IrScZnIr is beta oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two iridium;zinc molecules and two IrSc clusters. In each IrSc cluster, Sc(1) is bonded in a single-bond geometry to one Ir(1) atom. The Sc(1)-Ir(1) bond length is 1.45 Å. Ir(1) is bonded in a single-bond geometry to one Sc(1) atom.