data_CrIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr2Cl
_chemical_formula_sum   'Cr1 Ir2 Cl1'
_cell_volume   62.51
_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
  Cr  Cr1  1  0.37  0.37  0.29  1.0
  Ir  Ir2  1  0.0  0.0  0.08  1.0
  Ir  Ir3  1  0.37  0.37  0.66  1.0
  Cl  Cl0  1  0.0  0.0  0.85  1.0

data_CrIr2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrIr2Cl
_chemical_formula_sum   'Cr2 Ir4 Cl2'
_cell_volume   125.03
_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
  Cr  Cr0  2  0.37  0.0  0.29  1.0
  Ir  Ir1  2  0.0  0.0  0.08  1.0
  Ir  Ir2  2  0.37  0.0  0.66  1.0
  Cl  Cl3  2  0.0  0.0  0.85  1.0

Cr Ir Ir Cl
CrIr2Cl crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a 9-coordinate geometry to four equivalent Cr(1), one Ir(2), and four equivalent Ir(1) atoms. All Cr(1)-Cr(1) bond lengths are 2.74 Å. The Cr(1)-Ir(2) bond length is 3.03 Å. There are a spread of Cr(1)-Ir(1) bond distances ranging from 2.29-3.03 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 1-coordinate geometry to four equivalent Cr(1) and one Cl(1) atom. The Ir(1)-Cl(1) bond length is 1.89 Å. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one Cr(1) and one Cl(1) atom. The Ir(2)-Cl(1) bond length is 2.17 Å. Cl(1) is bonded in a 2-coordinate geometry to one Ir(1) and one Ir(2) atom.