data_Ti2VIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   146.0
_cell_angle_beta   128.58
_cell_angle_gamma   63.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VIr
_chemical_formula_sum   'Ti2 V1 Ir1'
_cell_volume   59.83
_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
  Ti  Ti1  1  0.0  0.24  0.19  1.0
  Ti  Ti2  1  0.51  0.0  0.22  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.41  1.0

data_Ti2VIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.49
_cell_length_c   5.17
_cell_angle_alpha   115.71
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VIr
_chemical_formula_sum   'Ti2 V1 Ir1'
_cell_volume   59.83
_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
  Ti  Ti0  1  0.3  0.78  0.3  1.0
  Ti  Ti1  1  0.81  0.05  0.05  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.59  0.59  0.59  1.0

Ti Ti V Ir
Ti2VIr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2VIr cluster. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one V(1) atom. The Ti(1)-V(1) bond length is 0.71 Å. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to one Ir(1) atom. The Ti(2)-Ir(1) bond length is 2.06 Å. V(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Ir(1) atom. The V(1)-Ir(1) bond length is 2.11 Å. Ir(1) is bonded in a 2-coordinate geometry to one Ti(2) and one V(1) atom.