data_Sr2HfIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfIr
_chemical_formula_sum   'Sr2 Hf1 Ir1'
_cell_volume   124.33
_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
  Sr  Sr2  1  0.0  0.0  0.94  1.0
  Sr  Sr3  1  0.79  0.79  0.95  1.0
  Hf  Hf0  1  0.0  0.0  0.68  1.0
  Ir  Ir1  1  0.79  0.79  0.63  1.0

data_Sr2HfIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2HfIr
_chemical_formula_sum   'Sr4 Hf2 Ir2'
_cell_volume   248.65
_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
  Sr  Sr0  2  0.0  0.0  0.94  1.0
  Sr  Sr1  2  0.29  0.5  0.95  1.0
  Hf  Hf2  2  0.0  0.0  0.68  1.0
  Ir  Ir3  2  0.29  0.5  0.63  1.0

Sr Sr Hf Ir
Sr2HfIr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sr2HfIr clusters. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted L-shaped geometry to one Sr(2) and one Hf(1) atom. The Sr(1)-Sr(2) bond length is 1.05 Å. The Sr(1)-Hf(1) bond length is 2.60 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one Sr(1) atom. Hf(1) is bonded in a single-bond geometry to one Sr(1) and one Ir(1) atom. The Hf(1)-Ir(1) bond length is 1.15 Å. Ir(1) is bonded in a single-bond geometry to one Hf(1) atom.