data_V2SiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.57
_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  0.88  0.0  0.19  1.0
  V  V3  1  0.0  0.0  0.35  1.0
  Si  Si1  1  0.0  0.0  0.86  1.0
  Ir  Ir0  1  0.88  0.0  0.45  1.0

data_V2SiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.57
_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  V0  1  0.0  0.0  0.35  1.0
  V  V1  1  0.88  0.0  0.19  1.0
  Si  Si2  1  0.0  0.0  0.86  1.0
  Ir  Ir3  1  0.88  0.0  0.45  1.0

V V Si Ir
V2IrSi crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Si(1) atom. The V(1)-V(2) bond length is 1.25 Å. The V(1)-Si(1) bond length is 2.38 Å. In the second V site, V(2) is bonded in a single-bond geometry to one V(1) and one Ir(1) atom. The V(2)-Ir(1) bond length is 0.79 Å. Ir(1) is bonded in a single-bond geometry to one V(2) and one Si(1) atom. The Ir(1)-Si(1) bond length is 2.98 Å. Si(1) is bonded in a 6-coordinate geometry to one V(1), one Ir(1), and four equivalent Si(1) atoms. All Si(1)-Si(1) bond lengths are 2.74 Å.