The crystal structure described by Nb5Ir7 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 9-coordinate geometry to one Ir(5), two equivalent Ir(2), two equivalent Ir(4), and four equivalent Ir(3) atoms. In the second Nb site, Nb(2) is bonded in a 8-coordinate geometry to two equivalent Ir(1), two equivalent Ir(3), and four equivalent Ir(4) atoms. In the third Nb site, Nb(3) is bonded to four equivalent Ir(1) and four equivalent Ir(4) atoms to form distorted NbIr8 cuboctahedra that share corners with four equivalent Nb(3)Ir8 cuboctahedra, corners with four equivalent Ir(3)Nb6Ir6 cuboctahedra, edges with two equivalent Nb(3)Ir8 cuboctahedra, and faces with two equivalent Nb(3)Ir8 cuboctahedra. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to four equivalent Nb(2) and four equivalent Nb(3) atoms. In the second Ir site, Ir(2) is bonded to four equivalent Nb(1) and two equivalent Ir(3) atoms to form distorted IrNb4Ir2 cuboctahedra that share corners with four equivalent Ir(3)Nb6Ir6 cuboctahedra, corners with six equivalent Ir(4)Nb8Ir cuboctahedra, edges with two equivalent Ir(2)Nb4Ir2 cuboctahedra, edges with two equivalent Ir(4)Nb8Ir cuboctahedra, and edges with eight equivalent Ir(3)Nb6Ir6 cuboctahedra. In the third Ir site, Ir(3) is bonded to two equivalent Nb(2), four equivalent Nb(1), one Ir(2), one Ir(4), two equivalent Ir(3), and two equivalent Ir(5) atoms to form distorted IrNb6Ir6 cuboctahedra that share corners with two equivalent Nb(3)Ir8 cuboctahedra, corners with two equivalent Ir(2)Nb4Ir2 cuboctahedra, corners with eight equivalent Ir(3)Nb6Ir6 cuboctahedra, edges with two equivalent Ir(3)Nb6Ir6 cuboctahedra, edges with two equivalent Ir(4)Nb8Ir cuboctahedra, edges with four equivalent Ir(2)Nb4Ir2 cuboctahedra, faces with three equivalent Ir(3)Nb6Ir6 cuboctahedra, and faces with four equivalent Ir(4)Nb8Ir cuboctahedra. In the fourth Ir site, Ir(4) is bonded to two equivalent Nb(1), two equivalent Nb(3), four equivalent Nb(2), and one Ir(3) atom to form distorted IrNb8Ir cuboctahedra that share corners with three equivalent Ir(2)Nb4Ir2 cuboctahedra, corners with six equivalent Ir(4)Nb8Ir cuboctahedra,  an edgeedge with one Ir(2)Nb4Ir2 cuboctahedra, edges with two equivalent Ir(3)Nb6Ir6 cuboctahedra, edges with three equivalent Ir(4)Nb8Ir cuboctahedra, faces with two equivalent Ir(4)Nb8Ir cuboctahedra, and faces with four equivalent Ir(3)Nb6Ir6 cuboctahedra. In the fifth Ir site, Ir(5) is bonded in a distorted water-like geometry to two equivalent Nb(1) and four equivalent Ir(3) atoms. is represented by the CIF card [CIF]
data_Nb5Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.854
_cell_length_b   4.863
_cell_length_c   13.774
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.141
_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  0.000  0.692  0.340  1.0
  Nb  Nb1  1  0.000  0.330  0.166  1.0
  Nb  Nb2  1  0.000  0.692  0.660  1.0
  Nb  Nb3  1  0.000  0.330  0.834  1.0
  Nb  Nb4  1  0.000  0.953  0.000  1.0
  Ir  Ir5  1  0.500  0.463  0.000  1.0
  Ir  Ir6  1  0.500  0.510  0.500  1.0
  Ir  Ir7  1  0.500  0.178  0.336  1.0
  Ir  Ir8  1  0.500  0.826  0.170  1.0
  Ir  Ir9  1  0.500  0.178  0.664  1.0
  Ir  Ir10  1  0.500  0.826  0.830  1.0
  Ir  Ir11  1  0.000  0.022  0.500  1.0
[/CIF]
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The crystal structure described by Nb5Ir7 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 9-coordinate geometry to one Ir(5), two equivalent Ir(2), two equivalent Ir(4), and four equivalent Ir(3) atoms. In the second Nb site, Nb(2) is bonded in a 8-coordinate geometry to two equivalent Ir(1), two equivalent Ir(3), and four equivalent Ir(4) atoms. In the third Nb site, Nb(3) is bonded to four equivalent Ir(1) and four equivalent Ir(4) atoms to form distorted NbIr8 cuboctahedra that share corners with four equivalent Nb(3)Ir8 cuboctahedra, corners with four equivalent Ir(3)Nb6Ir6 cuboctahedra, edges with two equivalent Nb(3)Ir8 cuboctahedra, and faces with two equivalent Nb(3)Ir8 cuboctahedra. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to four equivalent Nb(2) and four equivalent Nb(3) atoms. In the second Ir site, Ir(2) is bonded to four equivalent Nb(1) and two equivalent Ir(3) atoms to form distorted IrNb4Ir2 cuboctahedra that share corners with four equivalent Ir(3)Nb6Ir6 cuboctahedra, corners with six equivalent Ir(4)Nb8Ir cuboctahedra, edges with two equivalent Ir(2)Nb4Ir2 cuboctahedra, edges with two equivalent Ir(4)Nb8Ir cuboctahedra, and edges with eight equivalent Ir(3)Nb6Ir6 cuboctahedra. In the third Ir site, Ir(3) is bonded to two equivalent Nb(2), four equivalent Nb(1), one Ir(2), one Ir(4), two equivalent Ir(3), and two equivalent Ir(5) atoms to form distorted IrNb6Ir6 cuboctahedra that share corners with two equivalent Nb(3)Ir8 cuboctahedra, corners with two equivalent Ir(2)Nb4Ir2 cuboctahedra, corners with eight equivalent Ir(3)Nb6Ir6 cuboctahedra, edges with two equivalent Ir(3)Nb6Ir6 cuboctahedra, edges with two equivalent Ir(4)Nb8Ir cuboctahedra, edges with four equivalent Ir(2)Nb4Ir2 cuboctahedra, faces with three equivalent Ir(3)Nb6Ir6 cuboctahedra, and faces with four equivalent Ir(4)Nb8Ir cuboctahedra. In the fourth Ir site, Ir(4) is bonded to two equivalent Nb(1), two equivalent Nb(3), four equivalent Nb(2), and one Ir(3) atom to form distorted IrNb8Ir cuboctahedra that share corners with three equivalent Ir(2)Nb4Ir2 cuboctahedra, corners with six equivalent Ir(4)Nb8Ir cuboctahedra,  an edgeedge with one Ir(2)Nb4Ir2 cuboctahedra, edges with two equivalent Ir(3)Nb6Ir6 cuboctahedra, edges with three equivalent Ir(4)Nb8Ir cuboctahedra, faces with two equivalent Ir(4)Nb8Ir cuboctahedra, and faces with four equivalent Ir(3)Nb6Ir6 cuboctahedra. In the fifth Ir site, Ir(5) is bonded in a distorted water-like geometry to two equivalent Nb(1) and four equivalent Ir(3) atoms. is represented by the CIF card [CIF]
data_Nb5Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.854
_cell_length_b   4.863
_cell_length_c   13.774
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.141
_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  0.000  0.692  0.340  1.0
  Nb  Nb1  1  0.000  0.330  0.166  1.0
  Nb  Nb2  1  0.000  0.692  0.660  1.0
  Nb  Nb3  1  0.000  0.330  0.834  1.0
  Nb  Nb4  1  0.000  0.953  0.000  1.0
  Ir  Ir5  1  0.500  0.463  0.000  1.0
  Ir  Ir6  1  0.500  0.510  0.500  1.0
  Ir  Ir7  1  0.500  0.178  0.336  1.0
  Ir  Ir8  1  0.500  0.826  0.170  1.0
  Ir  Ir9  1  0.500  0.178  0.664  1.0
  Ir  Ir10  1  0.500  0.826  0.830  1.0
  Ir  Ir11  1  0.000  0.022  0.500  1.0
[/CIF]
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