data_VIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74
_cell_length_b   8.74
_cell_length_c   8.74
_cell_angle_alpha   18.77
_cell_angle_beta   18.77
_cell_angle_gamma   18.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIr2Cl
_chemical_formula_sum   'V1 Ir2 Cl1'
_cell_volume   60.47
_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
  V  V3  1  0.0  0.0  0.88  1.0
  Ir  Ir1  1  0.0  0.0  0.51  1.0
  Ir  Ir2  1  0.0  0.0  0.25  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_VIr2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   2.85
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   100.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VIr2Cl
_chemical_formula_sum   'V2 Ir4 Cl2'
_cell_volume   120.93
_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
  V  V0  2  0.0  0.0  0.12  1.0
  Ir  Ir1  2  0.0  0.0  0.49  1.0
  Ir  Ir2  2  0.0  0.0  0.75  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

V Ir Ir Cl
V Ir Ir Cl 0 3 o o + 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 2 3 o o o 
VIr2Cl crystallizes in the monoclinic Cm space group. V(1) is bonded in a single-bond geometry to one Ir(1) and one Cl(1) atom. The V(1)-Ir(1) bond length is 3.22 Å. The V(1)-Cl(1) bond length is 1.03 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one V(1), one Ir(2), and six equivalent Ir(1) atoms to form a mixture of distorted corner and edge-sharing IrVIr7 hexagonal bipyramids. The Ir(1)-Ir(2) bond length is 2.30 Å. All Ir(1)-Ir(1) bond lengths are 2.85 Å. In the second Ir site, Ir(2) is bonded in a distorted single-bond geometry to one Ir(1) and one Cl(1) atom. The Ir(2)-Cl(1) bond length is 2.19 Å. Cl(1) is bonded in a single-bond geometry to one V(1) and one Ir(2) atom.