data_ScVIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScVIr2
_chemical_formula_sum   'Sc1 V1 Ir2'
_cell_volume   64.25
_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
  Sc  Sc2  1  0.0  0.0  0.81  1.0
  V  V3  1  0.05  0.0  0.58  1.0
  Ir  Ir0  1  0.0  0.0  0.17  1.0
  Ir  Ir1  1  0.05  0.0  0.62  1.0

data_ScVIr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScVIr2
_chemical_formula_sum   'Sc1 V1 Ir2'
_cell_volume   64.27
_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
  Sc  Sc0  1  0.0  0.0  0.81  1.0
  V  V1  1  0.05  0.0  0.58  1.0
  Ir  Ir2  1  0.0  0.0  0.17  1.0
  Ir  Ir3  1  0.05  0.0  0.62  1.0

Sc V Ir Ir
ScVIr2 crystallizes in the monoclinic Pm space group. Sc(1) is bonded in a distorted single-bond geometry to one Ir(1) and one Ir(2) atom. The Sc(1)-Ir(1) bond length is 2.70 Å. The Sc(1)-Ir(2) bond length is 1.41 Å. V(1) is bonded in a single-bond geometry to one Ir(1) and one Ir(2) atom. The V(1)-Ir(1) bond length is 3.05 Å. The V(1)-Ir(2) bond length is 0.31 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one Sc(1), one V(1), and four equivalent Ir(1) atoms to form a mixture of distorted corner and edge-sharing IrScVIr4 octahedra. The corner-sharing octahedra are not tilted. All Ir(1)-Ir(1) bond lengths are 2.94 Å. In the second Ir site, Ir(2) is bonded in a distorted linear geometry to one Sc(1) and one V(1) atom.