data_V2SiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66
_cell_length_b   8.66
_cell_length_c   8.66
_cell_angle_alpha   18.03
_cell_angle_beta   18.03
_cell_angle_gamma   18.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2SiIr
_chemical_formula_sum   'V2 Si1 Ir1'
_cell_volume   54.37
_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  V2  1  0.0  0.0  0.13  1.0
  V  V3  1  0.0  0.0  0.43  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.78  1.0

data_V2SiIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   2.71
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   100.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2SiIr
_chemical_formula_sum   'V4 Si2 Ir2'
_cell_volume   108.74
_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
  V  V0  2  -0.0  0.0  0.57  1.0
  V  V1  2  0.0  0.0  0.87  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.22  1.0

V V Si Ir
V2IrSi crystallizes in the monoclinic Cm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one V(2) and one Si(1) atom. The V(1)-V(2) bond length is 2.61 Å. The V(1)-Si(1) bond length is 1.12 Å. In the second V site, V(2) is bonded to one V(1), six equivalent V(2), and one Ir(1) atom to form a mixture of distorted edge and corner-sharing VV7Ir hexagonal bipyramids. All V(2)-V(2) bond lengths are 2.71 Å. The V(2)-Ir(1) bond length is 3.03 Å. Ir(1) is bonded in a distorted single-bond geometry to one V(2) and one Si(1) atom. The Ir(1)-Si(1) bond length is 1.90 Å. Si(1) is bonded in a distorted linear geometry to one V(1) and one Ir(1) atom.