data_HfAlIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlIr2
_chemical_formula_sum   'Hf1 Al1 Ir2'
_cell_volume   65.87
_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  0.49  0.49  0.72  1.0
  Al  Al0  1  0.0  0.0  0.43  1.0
  Ir  Ir2  1  0.0  0.0  0.02  1.0
  Ir  Ir3  1  0.49  0.49  0.02  1.0

data_HfAlIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAlIr2
_chemical_formula_sum   'Hf2 Al2 Ir4'
_cell_volume   131.74
_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  0.49  0.0  0.72  1.0
  Al  Al1  2  0.0  0.0  0.43  1.0
  Ir  Ir2  2  0.0  0.0  0.02  1.0
  Ir  Ir3  2  0.49  0.0  0.02  1.0

Hf Al Ir Ir
HfIr2Al crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a single-bond geometry to one Ir(2) and four equivalent Al(1) atoms. The Hf(1)-Ir(2) bond length is 2.23 Å. There are a spread of Hf(1)-Al(1) bond distances ranging from 2.98-3.06 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to four equivalent Ir(2) and one Al(1) atom to form a mixture of distorted corner and edge-sharing IrAlIr4 square pyramids. There are a spread of Ir(1)-Ir(2) bond distances ranging from 2.05-2.16 Å. The Ir(1)-Al(1) bond length is 2.99 Å. In the second Ir site, Ir(2) is bonded to one Hf(1) and four equivalent Ir(1) atoms to form a mixture of distorted corner and edge-sharing IrHfIr4 square pyramids. Al(1) is bonded in a 9-coordinate geometry to four equivalent Hf(1), one Ir(1), and four equivalent Al(1) atoms. All Al(1)-Al(1) bond lengths are 2.97 Å.