The structure described by IrNb is Tetraauricupride-like structured and crystallizes in the orthorhombic Pmma space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to four equivalent Ir(1) and four equivalent Ir(2) atoms to form a mixture of distorted corner, face, and edge-sharing NbIr8 cuboctahedra. In the second Nb site, Nb(2) is bonded to two equivalent Ir(1) and six equivalent Ir(2) atoms to form a mixture of distorted corner, face, and edge-sharing NbIr8 cuboctahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded to two equivalent Nb(1) and six equivalent Nb(2) atoms to form a mixture of distorted corner, face, and edge-sharing IrNb8 cuboctahedra. In the second Ir site, Ir(1) is bonded to four equivalent Nb(1) and four equivalent Nb(2) atoms to form a mixture of distorted corner, face, and edge-sharing IrNb8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.870
_cell_length_b   4.859
_cell_length_c   13.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.660
_cell_formula_units_Z   6
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  0.000  0.045  0.250  1.0
  Nb  Nb1  1  0.000  0.955  0.750  1.0
  Nb  Nb2  1  0.000  0.330  0.585  1.0
  Nb  Nb3  1  0.000  0.670  0.415  1.0
  Nb  Nb4  1  0.000  0.330  0.915  1.0
  Nb  Nb5  1  0.000  0.670  0.085  1.0
  Ir  Ir6  1  0.500  0.535  0.250  1.0
  Ir  Ir7  1  0.500  0.465  0.750  1.0
  Ir  Ir8  1  0.500  0.828  0.583  1.0
  Ir  Ir9  1  0.500  0.172  0.417  1.0
  Ir  Ir10  1  0.500  0.828  0.917  1.0
  Ir  Ir11  1  0.500  0.172  0.083  1.0
[/CIF]
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The structure described by IrNb is Tetraauricupride-like structured and crystallizes in the orthorhombic Pmma space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to four equivalent Ir(1) and four equivalent Ir(2) atoms to form a mixture of distorted corner, face, and edge-sharing NbIr8 cuboctahedra. In the second Nb site, Nb(2) is bonded to two equivalent Ir(1) and six equivalent Ir(2) atoms to form a mixture of distorted corner, face, and edge-sharing NbIr8 cuboctahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded to two equivalent Nb(1) and six equivalent Nb(2) atoms to form a mixture of distorted corner, face, and edge-sharing IrNb8 cuboctahedra. In the second Ir site, Ir(1) is bonded to four equivalent Nb(1) and four equivalent Nb(2) atoms to form a mixture of distorted corner, face, and edge-sharing IrNb8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.870
_cell_length_b   4.859
_cell_length_c   13.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.660
_cell_formula_units_Z   6
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  0.000  0.045  0.250  1.0
  Nb  Nb1  1  0.000  0.955  0.750  1.0
  Nb  Nb2  1  0.000  0.330  0.585  1.0
  Nb  Nb3  1  0.000  0.670  0.415  1.0
  Nb  Nb4  1  0.000  0.330  0.915  1.0
  Nb  Nb5  1  0.000  0.670  0.085  1.0
  Ir  Ir6  1  0.500  0.535  0.250  1.0
  Ir  Ir7  1  0.500  0.465  0.750  1.0
  Ir  Ir8  1  0.500  0.828  0.583  1.0
  Ir  Ir9  1  0.500  0.172  0.417  1.0
  Ir  Ir10  1  0.500  0.828  0.917  1.0
  Ir  Ir11  1  0.500  0.172  0.083  1.0
[/CIF]
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