data_HfAlIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28
_cell_length_b   9.28
_cell_length_c   9.28
_cell_angle_alpha   17.84
_cell_angle_beta   17.84
_cell_angle_gamma   17.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlIr2
_chemical_formula_sum   'Hf1 Al1 Ir2'
_cell_volume   65.4
_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
  Hf  Hf1  1  0.0  0.0  0.48  1.0
  Al  Al0  1  0.0  0.0  0.94  1.0
  Ir  Ir2  1  0.0  0.0  0.3  1.0
  Ir  Ir3  1  0.0  0.0  0.73  1.0

data_HfAlIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   2.88
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAlIr2
_chemical_formula_sum   'Hf2 Al2 Ir4'
_cell_volume   130.8
_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
  Hf  Hf0  2  0.0  0.0  0.52  1.0
  Al  Al1  2  0.0  0.0  0.06  1.0
  Ir  Ir2  2  0.0  0.0  0.27  1.0
  Ir  Ir3  2  0.0  0.0  0.7  1.0

Hf Al Ir Ir
Hf Al Ir Ir 0 2 o o o 0 3 o o o 1 3 o o o 
HfIr2Al is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfIr2Al clusters. Hf(1) is bonded in a distorted linear geometry to one Ir(1) and one Ir(2) atom. The Hf(1)-Ir(1) bond length is 1.67 Å. The Hf(1)-Ir(2) bond length is 2.29 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Hf(1) atom. In the second Ir site, Ir(2) is bonded in a linear geometry to one Hf(1) and one Al(1) atom. The Ir(2)-Al(1) bond length is 1.92 Å. Al(1) is bonded in a single-bond geometry to one Ir(2) atom.