The compound described by IrV crystallizes in the monoclinic C2/m space group. There are five inequivalent V sites. In the first V site, V(1) is bonded in a 8-coordinate geometry to one V(5), one Ir(1), one Ir(3), two equivalent Ir(2), two equivalent Ir(5), and two equivalent Ir(6) atoms. In the second V site, V(2) is bonded in a 8-coordinate geometry to one V(5), one Ir(1), one Ir(3), two equivalent Ir(4), two equivalent Ir(5), and two equivalent Ir(6) atoms. In the third V site, V(3) is bonded in a distorted body-centered cubic geometry to two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(5), and two equivalent Ir(6) atoms. In the fourth V site, V(4) is bonded in a 8-coordinate geometry to two equivalent Ir(1), two equivalent Ir(4), two equivalent Ir(5), and two equivalent Ir(6) atoms. In the fifth V site, V(5) is bonded to one V(1), one V(2), two equivalent V(5), one Ir(1), one Ir(2), one Ir(3), one Ir(4), two equivalent Ir(5), and two equivalent Ir(6) atoms to form a mixture of distorted face and corner-sharing VV4Ir8 cuboctahedra. There are six inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(4), and two equivalent V(5) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to two equivalent V(3), two equivalent V(5), and four equivalent V(1) atoms. In the third Ir site, Ir(3) is bonded in a 8-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), and two equivalent V(5) atoms. In the fourth Ir site, Ir(4) is bonded in a 8-coordinate geometry to two equivalent V(4), two equivalent V(5), and four equivalent V(2) atoms. In the fifth Ir site, Ir(5) is bonded in a 8-coordinate geometry to one V(3), one V(4), two equivalent V(1), two equivalent V(2), and two equivalent V(5) atoms. In the sixth Ir site, Ir(6) is bonded in a 8-coordinate geometry to one V(3), one V(4), two equivalent V(1), two equivalent V(2), and two equivalent V(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_VIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.784
_cell_length_b   6.633
_cell_length_c   6.642
_cell_angle_alpha   114.637
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   111.472
_cell_formula_units_Z   4
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
  Ir  Ir0  1  1.000  0.359  0.105  1.0
  Ir  Ir1  1  0.000  0.895  0.641  1.0
  Ir  Ir2  1  1.000  0.105  0.359  1.0
  Ir  Ir3  1  0.000  0.641  0.895  1.0
  V  V4  1  0.500  0.728  0.272  1.0
  V  V5  1  0.500  1.000  1.000  1.0
  V  V6  1  0.500  0.500  0.500  1.0
  V  V7  1  0.500  0.272  0.728  1.0
[/CIF]
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The compound described by IrV crystallizes in the monoclinic C2/m space group. There are five inequivalent V sites. In the first V site, V(1) is bonded in a 8-coordinate geometry to one V(5), one Ir(1), one Ir(3), two equivalent Ir(2), two equivalent Ir(5), and two equivalent Ir(6) atoms. In the second V site, V(2) is bonded in a 8-coordinate geometry to one V(5), one Ir(1), one Ir(3), two equivalent Ir(4), two equivalent Ir(5), and two equivalent Ir(6) atoms. In the third V site, V(3) is bonded in a distorted body-centered cubic geometry to two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(5), and two equivalent Ir(6) atoms. In the fourth V site, V(4) is bonded in a 8-coordinate geometry to two equivalent Ir(1), two equivalent Ir(4), two equivalent Ir(5), and two equivalent Ir(6) atoms. In the fifth V site, V(5) is bonded to one V(1), one V(2), two equivalent V(5), one Ir(1), one Ir(2), one Ir(3), one Ir(4), two equivalent Ir(5), and two equivalent Ir(6) atoms to form a mixture of distorted face and corner-sharing VV4Ir8 cuboctahedra. There are six inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(4), and two equivalent V(5) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to two equivalent V(3), two equivalent V(5), and four equivalent V(1) atoms. In the third Ir site, Ir(3) is bonded in a 8-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), and two equivalent V(5) atoms. In the fourth Ir site, Ir(4) is bonded in a 8-coordinate geometry to two equivalent V(4), two equivalent V(5), and four equivalent V(2) atoms. In the fifth Ir site, Ir(5) is bonded in a 8-coordinate geometry to one V(3), one V(4), two equivalent V(1), two equivalent V(2), and two equivalent V(5) atoms. In the sixth Ir site, Ir(6) is bonded in a 8-coordinate geometry to one V(3), one V(4), two equivalent V(1), two equivalent V(2), and two equivalent V(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_VIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.784
_cell_length_b   6.633
_cell_length_c   6.642
_cell_angle_alpha   114.637
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   111.472
_cell_formula_units_Z   4
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
  Ir  Ir0  1  1.000  0.359  0.105  1.0
  Ir  Ir1  1  0.000  0.895  0.641  1.0
  Ir  Ir2  1  1.000  0.105  0.359  1.0
  Ir  Ir3  1  0.000  0.641  0.895  1.0
  V  V4  1  0.500  0.728  0.272  1.0
  V  V5  1  0.500  1.000  1.000  1.0
  V  V6  1  0.500  0.500  0.500  1.0
  V  V7  1  0.500  0.272  0.728  1.0
[/CIF]
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