data_Si2IrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   3.33
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   99.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2IrCl
_chemical_formula_sum   'Si2 Ir1 Cl1'
_cell_volume   64.09
_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
  Si  Si2  1  0.36  0.66  0.82  1.0
  Si  Si3  1  0.34  0.66  0.02  1.0
  Ir  Ir1  1  0.85  0.0  0.42  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Si2IrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.33
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   99.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2IrCl
_chemical_formula_sum   'Si2 Ir1 Cl1'
_cell_volume   64.09
_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
  Si  Si0  1  0.34  0.66  0.02  1.0
  Si  Si1  1  0.36  0.66  0.82  1.0
  Ir  Ir2  1  0.85  0.0  0.42  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Si Si Ir Cl
IrSi2Cl crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 7-coordinate geometry to four equivalent Ir(1), one Si(1), one Si(2), and one Cl(1) atom. There are two shorter (2.81 Å) and two longer (3.33 Å) Ir(1)-Ir(1) bond lengths. The Ir(1)-Si(1) bond length is 3.11 Å. The Ir(1)-Si(2) bond length is 3.11 Å. The Ir(1)-Cl(1) bond length is 3.02 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one Ir(1), one Si(2), and two equivalent Cl(1) atoms. The Si(1)-Si(2) bond length is 1.43 Å. There is one shorter (2.06 Å) and one longer (2.30 Å) Si(1)-Cl(1) bond length. In the second Si site, Si(2) is bonded in a distorted single-bond geometry to one Ir(1), one Si(1), and one Cl(1) atom. The Si(2)-Cl(1) bond length is 1.46 Å. Cl(1) is bonded in a distorted single-bond geometry to one Ir(1), one Si(2), and two equivalent Si(1) atoms.