data_TaVIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12
_cell_length_b   9.12
_cell_length_c   9.12
_cell_angle_alpha   17.6
_cell_angle_beta   17.6
_cell_angle_gamma   17.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVIr2
_chemical_formula_sum   'Ta1 V1 Ir2'
_cell_volume   60.6
_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
  Ta  Ta2  1  0.0  0.0  0.47  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.88  1.0
  Ir  Ir1  1  0.0  0.0  0.06  1.0

data_TaVIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   2.79
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   100.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaVIr2
_chemical_formula_sum   'Ta2 V2 Ir4'
_cell_volume   121.2
_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
  Ta  Ta0  2  0.0  0.0  0.53  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.0  0.0  0.12  1.0
  Ir  Ir3  2  0.0  0.0  0.94  1.0

Ta V Ir Ir
TaVIr2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to six Ta(1,1); one Ir(1); and one Ir(2) atom to form a mixture of corner and edge-sharing TaTa6Ir2 hexagonal bipyramids. All Ta(1)-Ta(1,1) bond lengths are 2.79 Å. The Ta(1)-Ir(1) bond length is 3.75 Å. The Ta(1)-Ir(2) bond length is 3.75 Å. In the second Ta site, Ta(1) is bonded to six Ta(1,1); one Ir(1); and one Ir(2) atom to form a mixture of corner and edge-sharing TaTa6Ir2 hexagonal bipyramids. Both Ta(1)-Ta(1) bond lengths are 2.79 Å. The Ta(1)-Ir(1) bond length is 3.75 Å. The Ta(1)-Ir(2) bond length is 3.75 Å. V(1) is bonded in a linear geometry to one Ir(1) and one Ir(2) atom. The V(1)-Ir(1) bond length is 1.11 Å. The V(1)-Ir(2) bond length is 0.51 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Ta(1) and one V(1) atom. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Ta(1) and one V(1) atom.