data_V2InIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   148.03
_cell_angle_beta   128.62
_cell_angle_gamma   61.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2InIr
_chemical_formula_sum   'V2 In1 Ir1'
_cell_volume   62.06
_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  0.0  1.0
  V  V3  1  0.47  0.0  0.07  1.0
  In  In0  1  0.0  0.0  0.6  1.0
  Ir  Ir1  1  0.0  0.31  0.48  1.0

data_V2InIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.62
_cell_length_c   5.33
_cell_angle_alpha   115.69
_cell_angle_beta   105.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2InIr
_chemical_formula_sum   'V2 In1 Ir1'
_cell_volume   62.06
_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  0.0  1.0
  V  V1  1  0.0  0.07  0.6  1.0
  In  In2  1  0.0  0.6  0.6  1.0
  Ir  Ir3  1  0.69  0.17  0.17  1.0

V V In Ir
V V In Ir 0 3 o o o 0 1 o o o 0 2 o o - 1 2 o o - 1 2 + o o 1 3 + o o 2 3 o o o 
V2IrIn crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to two equivalent Ir(1) and one In(1) atom. There is one shorter (1.46 Å) and one longer (1.98 Å) V(1)-Ir(1) bond length. The V(1)-In(1) bond length is 2.14 Å. In the second V site, V(2) is bonded in a 3-coordinate geometry to one Ir(1) and two equivalent In(1) atoms. The V(2)-Ir(1) bond length is 2.46 Å. There is one shorter (2.16 Å) and one longer (2.46 Å) V(2)-In(1) bond length. Ir(1) is bonded in a 4-coordinate geometry to one V(2), two equivalent V(1), and one In(1) atom. The Ir(1)-In(1) bond length is 2.20 Å. In(1) is bonded in a 4-coordinate geometry to one V(1), two equivalent V(2), and one Ir(1) atom.