The structure described by Nd2Ir7 crystallizes in the trigonal R-3m space group. There are six inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ir(2); three equivalent Ir(3); six Ir(4,4); and six equivalent Ir(5) atoms. In the second Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ir(2); three equivalent Ir(3); six Ir(4,4); and six equivalent Ir(5) atoms. In the third Nd site, Nd(2) is bonded in a 12-coordinate geometry to three equivalent Ir(1) and nine equivalent Ir(5) atoms. In the fourth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ir(2), three equivalent Ir(3), six equivalent Ir(4), and six equivalent Ir(5) atoms. In the fifth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ir(2); three equivalent Ir(3); six Ir(4,4); and six equivalent Ir(5) atoms. In the sixth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ir(2), three equivalent Ir(3), six equivalent Ir(4), and six equivalent Ir(5) atoms. There are eight inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to six equivalent Nd(2) and six equivalent Ir(5) atoms to form IrNd6Ir6 cuboctahedra that share corners with twelve equivalent Ir(5)Nd5Ir7 cuboctahedra, edges with six equivalent Ir(1)Nd6Ir6 cuboctahedra, and faces with eighteen equivalent Ir(5)Nd5Ir7 cuboctahedra. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1); three Ir(4,4); and three equivalent Ir(5) atoms. In the third Ir site, Ir(4) is bonded to four Nd(1,1); two equivalent Ir(2); two equivalent Ir(3); and four equivalent Ir(4) atoms to form IrNd4Ir8 cuboctahedra that share corners with four equivalent Ir(4)Nd4Ir8 cuboctahedra, corners with twelve equivalent Ir(5)Nd5Ir7 cuboctahedra, edges with two equivalent Ir(4)Nd4Ir8 cuboctahedra, edges with eight equivalent Ir(5)Nd5Ir7 cuboctahedra, faces with two equivalent Ir(5)Nd5Ir7 cuboctahedra, and faces with eight equivalent Ir(4)Nd4Ir8 cuboctahedra. In the fourth Ir site, Ir(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1); three Ir(4,4); and three equivalent Ir(5) atoms. In the fifth Ir site, Ir(4) is bonded to four Nd(1,1); two equivalent Ir(2); two equivalent Ir(3); and four Ir(4,4) atoms to form IrNd4Ir8 cuboctahedra that share corners with four equivalent Ir(4)Nd4Ir8 cuboctahedra; corners with twelve equivalent Ir(5)Nd5Ir7 cuboctahedra; edges with two equivalent Ir(4)Nd4Ir8 cuboctahedra; edges with eight equivalent Ir(5)Nd5Ir7 cuboctahedra; faces with two equivalent Ir(5)Nd5Ir7 cuboctahedra; and faces with eight Ir(4,4)Nd4Ir8 cuboctahedra. In the sixth Ir site, Ir(4) is bonded to four Nd(1,1); two equivalent Ir(2); two equivalent Ir(3); and four equivalent Ir(4) atoms to form IrNd4Ir8 cuboctahedra that share corners with four equivalent Ir(4)Nd4Ir8 cuboctahedra, corners with twelve equivalent Ir(5)Nd5Ir7 cuboctahedra, edges with two equivalent Ir(4)Nd4Ir8 cuboctahedra, edges with eight equivalent Ir(5)Nd5Ir7 cuboctahedra, faces with two equivalent Ir(5)Nd5Ir7 cuboctahedra, and faces with eight equivalent Ir(4)Nd4Ir8 cuboctahedra. In the seventh Ir site, Ir(5) is bonded to two equivalent Nd(1), three equivalent Nd(2), one Ir(1), one Ir(2), one Ir(3), and four equivalent Ir(5) atoms to form distorted IrNd5Ir7 cuboctahedra that share corners with two equivalent Ir(1)Nd6Ir6 cuboctahedra; corners with six Ir(4,4)Nd4Ir8 cuboctahedra; corners with nine equivalent Ir(5)Nd5Ir7 cuboctahedra; edges with four Ir(4,4)Nd4Ir8 cuboctahedra; edges with four equivalent Ir(5)Nd5Ir7 cuboctahedra;  a faceface with one Ir(4)Nd4Ir8 cuboctahedra; faces with three equivalent Ir(1)Nd6Ir6 cuboctahedra; and faces with ten equivalent Ir(5)Nd5Ir7 cuboctahedra. In the eighth Ir site, Ir(4) is bonded to four Nd(1,1); two equivalent Ir(2); two equivalent Ir(3); and four equivalent Ir(4) atoms to form IrNd4Ir8 cuboctahedra that share corners with four equivalent Ir(4)Nd4Ir8 cuboctahedra, corners with twelve equivalent Ir(5)Nd5Ir7 cuboctahedra, edges with two equivalent Ir(4)Nd4Ir8 cuboctahedra, edges with eight equivalent Ir(5)Nd5Ir7 cuboctahedra, faces with two equivalent Ir(5)Nd5Ir7 cuboctahedra, and faces with eight equivalent Ir(4)Nd4Ir8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.496
_cell_length_b   13.496
_cell_length_c   13.496
_cell_angle_alpha   22.821
_cell_angle_beta   22.821
_cell_angle_gamma   22.821
_symmetry_Int_Tables_number   1
_cell_volume   324.499
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.950  0.950  0.950  1.0
  Nd  Nd1  1  0.050  0.050  0.050  1.0
  Nd  Nd2  1  0.853  0.853  0.853  1.0
  Nd  Nd3  1  0.147  0.147  0.147  1.0
  Ir  Ir4  1  0.500  0.500  0.500  1.0
  Ir  Ir5  1  0.722  0.722  0.722  1.0
  Ir  Ir6  1  0.278  0.278  0.278  1.0
  Ir  Ir7  1  0.612  0.612  0.612  1.0
  Ir  Ir8  1  0.388  0.388  0.388  1.0
  Ir  Ir9  1  0.500  0.500  0.000  1.0
  Ir  Ir10  1  0.000  0.500  0.500  1.0
  Ir  Ir11  1  0.500  0.000  0.500  1.0
  Ir  Ir12  1  0.392  0.889  0.392  1.0
  Ir  Ir13  1  0.392  0.392  0.889  1.0
  Ir  Ir14  1  0.889  0.392  0.392  1.0
  Ir  Ir15  1  0.608  0.111  0.608  1.0
  Ir  Ir16  1  0.608  0.608  0.111  1.0
  Ir  Ir17  1  0.111  0.608  0.608  1.0
[/CIF]
.
The structure described by Nd2Ir7 crystallizes in the trigonal R-3m space group. There are six inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ir(2); three equivalent Ir(3); six Ir(4,4); and six equivalent Ir(5) atoms. In the second Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ir(2); three equivalent Ir(3); six Ir(4,4); and six equivalent Ir(5) atoms. In the third Nd site, Nd(2) is bonded in a 12-coordinate geometry to three equivalent Ir(1) and nine equivalent Ir(5) atoms. In the fourth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ir(2), three equivalent Ir(3), six equivalent Ir(4), and six equivalent Ir(5) atoms. In the fifth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ir(2); three equivalent Ir(3); six Ir(4,4); and six equivalent Ir(5) atoms. In the sixth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ir(2), three equivalent Ir(3), six equivalent Ir(4), and six equivalent Ir(5) atoms. There are eight inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to six equivalent Nd(2) and six equivalent Ir(5) atoms to form IrNd6Ir6 cuboctahedra that share corners with twelve equivalent Ir(5)Nd5Ir7 cuboctahedra, edges with six equivalent Ir(1)Nd6Ir6 cuboctahedra, and faces with eighteen equivalent Ir(5)Nd5Ir7 cuboctahedra. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1); three Ir(4,4); and three equivalent Ir(5) atoms. In the third Ir site, Ir(4) is bonded to four Nd(1,1); two equivalent Ir(2); two equivalent Ir(3); and four equivalent Ir(4) atoms to form IrNd4Ir8 cuboctahedra that share corners with four equivalent Ir(4)Nd4Ir8 cuboctahedra, corners with twelve equivalent Ir(5)Nd5Ir7 cuboctahedra, edges with two equivalent Ir(4)Nd4Ir8 cuboctahedra, edges with eight equivalent Ir(5)Nd5Ir7 cuboctahedra, faces with two equivalent Ir(5)Nd5Ir7 cuboctahedra, and faces with eight equivalent Ir(4)Nd4Ir8 cuboctahedra. In the fourth Ir site, Ir(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1); three Ir(4,4); and three equivalent Ir(5) atoms. In the fifth Ir site, Ir(4) is bonded to four Nd(1,1); two equivalent Ir(2); two equivalent Ir(3); and four Ir(4,4) atoms to form IrNd4Ir8 cuboctahedra that share corners with four equivalent Ir(4)Nd4Ir8 cuboctahedra; corners with twelve equivalent Ir(5)Nd5Ir7 cuboctahedra; edges with two equivalent Ir(4)Nd4Ir8 cuboctahedra; edges with eight equivalent Ir(5)Nd5Ir7 cuboctahedra; faces with two equivalent Ir(5)Nd5Ir7 cuboctahedra; and faces with eight Ir(4,4)Nd4Ir8 cuboctahedra. In the sixth Ir site, Ir(4) is bonded to four Nd(1,1); two equivalent Ir(2); two equivalent Ir(3); and four equivalent Ir(4) atoms to form IrNd4Ir8 cuboctahedra that share corners with four equivalent Ir(4)Nd4Ir8 cuboctahedra, corners with twelve equivalent Ir(5)Nd5Ir7 cuboctahedra, edges with two equivalent Ir(4)Nd4Ir8 cuboctahedra, edges with eight equivalent Ir(5)Nd5Ir7 cuboctahedra, faces with two equivalent Ir(5)Nd5Ir7 cuboctahedra, and faces with eight equivalent Ir(4)Nd4Ir8 cuboctahedra. In the seventh Ir site, Ir(5) is bonded to two equivalent Nd(1), three equivalent Nd(2), one Ir(1), one Ir(2), one Ir(3), and four equivalent Ir(5) atoms to form distorted IrNd5Ir7 cuboctahedra that share corners with two equivalent Ir(1)Nd6Ir6 cuboctahedra; corners with six Ir(4,4)Nd4Ir8 cuboctahedra; corners with nine equivalent Ir(5)Nd5Ir7 cuboctahedra; edges with four Ir(4,4)Nd4Ir8 cuboctahedra; edges with four equivalent Ir(5)Nd5Ir7 cuboctahedra;  a faceface with one Ir(4)Nd4Ir8 cuboctahedra; faces with three equivalent Ir(1)Nd6Ir6 cuboctahedra; and faces with ten equivalent Ir(5)Nd5Ir7 cuboctahedra. In the eighth Ir site, Ir(4) is bonded to four Nd(1,1); two equivalent Ir(2); two equivalent Ir(3); and four equivalent Ir(4) atoms to form IrNd4Ir8 cuboctahedra that share corners with four equivalent Ir(4)Nd4Ir8 cuboctahedra, corners with twelve equivalent Ir(5)Nd5Ir7 cuboctahedra, edges with two equivalent Ir(4)Nd4Ir8 cuboctahedra, edges with eight equivalent Ir(5)Nd5Ir7 cuboctahedra, faces with two equivalent Ir(5)Nd5Ir7 cuboctahedra, and faces with eight equivalent Ir(4)Nd4Ir8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.496
_cell_length_b   13.496
_cell_length_c   13.496
_cell_angle_alpha   22.821
_cell_angle_beta   22.821
_cell_angle_gamma   22.821
_symmetry_Int_Tables_number   1
_cell_volume   324.499
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.950  0.950  0.950  1.0
  Nd  Nd1  1  0.050  0.050  0.050  1.0
  Nd  Nd2  1  0.853  0.853  0.853  1.0
  Nd  Nd3  1  0.147  0.147  0.147  1.0
  Ir  Ir4  1  0.500  0.500  0.500  1.0
  Ir  Ir5  1  0.722  0.722  0.722  1.0
  Ir  Ir6  1  0.278  0.278  0.278  1.0
  Ir  Ir7  1  0.612  0.612  0.612  1.0
  Ir  Ir8  1  0.388  0.388  0.388  1.0
  Ir  Ir9  1  0.500  0.500  0.000  1.0
  Ir  Ir10  1  0.000  0.500  0.500  1.0
  Ir  Ir11  1  0.500  0.000  0.500  1.0
  Ir  Ir12  1  0.392  0.889  0.392  1.0
  Ir  Ir13  1  0.392  0.392  0.889  1.0
  Ir  Ir14  1  0.889  0.392  0.392  1.0
  Ir  Ir15  1  0.608  0.111  0.608  1.0
  Ir  Ir16  1  0.608  0.608  0.111  1.0
  Ir  Ir17  1  0.111  0.608  0.608  1.0
[/CIF]
.