data_V2SnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2SnIr
_chemical_formula_sum   'V2 Sn1 Ir1'
_cell_volume   63.34
_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  0.05  0.0  0.03  1.0
  V  V3  1  0.0  0.0  0.42  1.0
  Sn  Sn1  1  0.0  0.0  0.79  1.0
  Ir  Ir0  1  0.05  0.0  0.91  1.0

data_V2SnIr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   V2SnIr
_chemical_formula_sum   'V2 Sn1 Ir1'
_cell_volume   63.39
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.42  1.0
  V  V1  1  0.05  0.0  0.03  1.0
  Sn  Sn2  1  0.0  0.0  0.79  1.0
  Ir  Ir3  1  0.05  0.0  0.91  1.0

V V Sn Ir
V2IrSn crystallizes in the monoclinic Pm 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 Ir(1) atom. The V(1)-V(2) bond length is 2.79 Å. The V(1)-Ir(1) bond length is 0.89 Å. In the second V site, V(2) is bonded to one V(1), four equivalent V(2), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing VV5Sn octahedra. The corner-sharing octahedra are not tilted. All V(2)-V(2) bond lengths are 2.96 Å. The V(2)-Sn(1) bond length is 2.72 Å. Ir(1) is bonded in a linear geometry to one V(1) and one Sn(1) atom. The Ir(1)-Sn(1) bond length is 0.87 Å. Sn(1) is bonded in a single-bond geometry to one V(2) and one Ir(1) atom.