The crystal structure described by Nb3V3Ir2 crystallizes in the trigonal R32 space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent V(1) and four equivalent Ir(1) atoms. V(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1) and four equivalent Ir(1) atoms. Ir(1) is bonded to six equivalent Nb(1) and six equivalent V(1) atoms to form a mixture of edge and face-sharing IrNb6V6 cuboctahedra. is represented by the CIF card [CIF]
data_Nb3V3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.998
_cell_length_b   4.998
_cell_length_c   4.998
_cell_angle_alpha   89.883
_cell_angle_beta   90.117
_cell_angle_gamma   90.117
_symmetry_Int_Tables_number   1
_cell_volume   124.881
_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
  Nb  Nb0  1  0.503  0.750  0.003  1.0
  Nb  Nb1  1  0.250  0.003  0.497  1.0
  Nb  Nb2  1  0.997  0.497  0.750  1.0
  V  V3  1  0.503  0.250  0.003  1.0
  V  V4  1  0.750  0.003  0.497  1.0
  V  V5  1  0.997  0.497  0.250  1.0
  Ir  Ir6  1  0.504  0.496  0.496  1.0
  Ir  Ir7  1  0.996  0.004  0.004  1.0
[/CIF]
.
The crystal structure described by Nb3V3Ir2 crystallizes in the trigonal R32 space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent V(1) and four equivalent Ir(1) atoms. V(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1) and four equivalent Ir(1) atoms. Ir(1) is bonded to six equivalent Nb(1) and six equivalent V(1) atoms to form a mixture of edge and face-sharing IrNb6V6 cuboctahedra. is represented by the CIF card [CIF]
data_Nb3V3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.998
_cell_length_b   4.998
_cell_length_c   4.998
_cell_angle_alpha   89.883
_cell_angle_beta   90.117
_cell_angle_gamma   90.117
_symmetry_Int_Tables_number   1
_cell_volume   124.881
_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
  Nb  Nb0  1  0.503  0.750  0.003  1.0
  Nb  Nb1  1  0.250  0.003  0.497  1.0
  Nb  Nb2  1  0.997  0.497  0.750  1.0
  V  V3  1  0.503  0.250  0.003  1.0
  V  V4  1  0.750  0.003  0.497  1.0
  V  V5  1  0.997  0.497  0.250  1.0
  Ir  Ir6  1  0.504  0.496  0.496  1.0
  Ir  Ir7  1  0.996  0.004  0.004  1.0
[/CIF]
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