The compound described by Nd3IrO7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(1), one O(5), one O(6), one O(7), two equivalent O(2), and two equivalent O(3) atoms. In the third Nd site, Nd(3) is bonded to one O(1), one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted NdO7 pentagonal bipyramids that share  a cornercorner with one Ir(1)O6 octahedra,  a cornercorner with one Ir(2)O6 octahedra,  an edgeedge with one Ir(1)O6 octahedra,  an edgeedge with one Ir(2)O6 octahedra, and edges with two equivalent Nd(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 29-38°. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form IrO6 octahedra that share corners with two equivalent Ir(2)O6 octahedra, corners with two equivalent Nd(3)O7 pentagonal bipyramids, and edges with two equivalent Nd(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. In the second Ir site, Ir(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form IrO6 octahedra that share corners with two equivalent Ir(1)O6 octahedra, corners with two equivalent Nd(3)O7 pentagonal bipyramids, and edges with two equivalent Nd(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Nd(2), two equivalent Nd(3), and one Ir(1) atom. In the second O site, O(6) is bonded to one Nd(2), one Nd(3), and two equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with two equivalent O(6)Nd4 tetrahedra, corners with four equivalent O(7)Nd4 tetrahedra, corners with two equivalent O(1)Nd2Ir2 trigonal pyramids, corners with two equivalent O(3)Nd3Ir trigonal pyramids, corners with two equivalent O(4)Nd3Ir trigonal pyramids,  an edgeedge with one O(7)Nd4 tetrahedra,  an edgeedge with one O(3)Nd3Ir trigonal pyramid, and  an edgeedge with one O(4)Nd3Ir trigonal pyramid. In the third O site, O(7) is bonded to one Nd(2), one Nd(3), and two equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with two equivalent O(7)Nd4 tetrahedra, corners with four equivalent O(6)Nd4 tetrahedra, corners with two equivalent O(1)Nd2Ir2 trigonal pyramids, corners with two equivalent O(3)Nd3Ir trigonal pyramids, corners with two equivalent O(4)Nd3Ir trigonal pyramids,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(3)Nd3Ir trigonal pyramid, and  an edgeedge with one O(4)Nd3Ir trigonal pyramid. In the fourth O site, O(1) is bonded to one Nd(2), one Nd(3), one Ir(1), and one Ir(2) atom to form distorted ONd2Ir2 trigonal pyramids that share corners with two equivalent O(6)Nd4 tetrahedra, corners with two equivalent O(7)Nd4 tetrahedra, corners with two equivalent O(1)Nd2Ir2 trigonal pyramids, corners with two equivalent O(3)Nd3Ir trigonal pyramids, corners with two equivalent O(4)Nd3Ir trigonal pyramids,  an edgeedge with one O(3)Nd3Ir trigonal pyramid, and  an edgeedge with one O(4)Nd3Ir trigonal pyramid. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Ir(2) atom. In the sixth O site, O(3) is bonded to one Nd(1), two equivalent Nd(2), and one Ir(1) atom to form ONd3Ir trigonal pyramids that share corners with two equivalent O(6)Nd4 tetrahedra, corners with two equivalent O(7)Nd4 tetrahedra,  a cornercorner with one O(3)Nd3Ir trigonal pyramid,  a cornercorner with one O(4)Nd3Ir trigonal pyramid, corners with two equivalent O(1)Nd2Ir2 trigonal pyramids,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(7)Nd4 tetrahedra,  an edgeedge with one O(1)Nd2Ir2 trigonal pyramid, and  an edgeedge with one O(3)Nd3Ir trigonal pyramid. In the seventh O site, O(4) is bonded to one Nd(1), two equivalent Nd(3), and one Ir(2) atom to form distorted ONd3Ir trigonal pyramids that share corners with two equivalent O(6)Nd4 tetrahedra, corners with two equivalent O(7)Nd4 tetrahedra,  a cornercorner with one O(3)Nd3Ir trigonal pyramid, corners with two equivalent O(1)Nd2Ir2 trigonal pyramids, corners with three equivalent O(4)Nd3Ir trigonal pyramids,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(7)Nd4 tetrahedra, and  an edgeedge with one O(1)Nd2Ir2 trigonal pyramid. is represented by the CIF card [CIF]
data_Nd3IrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.644
_cell_length_b   7.505
_cell_length_c   12.485
_cell_angle_alpha   90.000
_cell_angle_beta   98.779
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   615.318
_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
  Nd  Nd0  1  0.225  0.501  0.755  1.0
  Nd  Nd1  1  0.275  0.001  0.745  1.0
  Nd  Nd2  1  0.775  0.499  0.245  1.0
  Nd  Nd3  1  0.725  0.999  0.255  1.0
  Nd  Nd4  1  0.073  0.741  0.485  1.0
  Nd  Nd5  1  0.427  0.241  0.015  1.0
  Nd  Nd6  1  0.927  0.259  0.515  1.0
  Nd  Nd7  1  0.573  0.759  0.985  1.0
  Nd  Nd8  1  0.737  0.755  0.708  1.0
  Nd  Nd9  1  0.763  0.255  0.792  1.0
  Nd  Nd10  1  0.263  0.245  0.292  1.0
  Nd  Nd11  1  0.237  0.745  0.208  1.0
  Ir  Ir12  1  0.500  0.500  0.500  1.0
  Ir  Ir13  1  0.000  0.000  0.000  1.0
  Ir  Ir14  1  0.000  0.500  0.000  1.0
  Ir  Ir15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.956  0.750  0.050  1.0
  O  O17  1  0.544  0.250  0.450  1.0
  O  O18  1  0.044  0.250  0.950  1.0
  O  O19  1  0.456  0.750  0.550  1.0
  O  O20  1  0.278  0.542  0.983  1.0
  O  O21  1  0.222  0.042  0.517  1.0
  O  O22  1  0.722  0.458  0.017  1.0
  O  O23  1  0.778  0.958  0.483  1.0
  O  O24  1  0.774  0.540  0.446  1.0
  O  O25  1  0.726  0.040  0.054  1.0
  O  O26  1  0.226  0.460  0.554  1.0
  O  O27  1  0.274  0.960  0.946  1.0
  O  O28  1  0.918  0.541  0.838  1.0
  O  O29  1  0.582  0.041  0.662  1.0
  O  O30  1  0.082  0.459  0.162  1.0
  O  O31  1  0.418  0.959  0.338  1.0
  O  O32  1  0.340  0.548  0.362  1.0
  O  O33  1  0.160  0.048  0.138  1.0
  O  O34  1  0.660  0.452  0.638  1.0
  O  O35  1  0.840  0.952  0.862  1.0
  O  O36  1  0.563  0.736  0.170  1.0
  O  O37  1  0.937  0.236  0.330  1.0
  O  O38  1  0.437  0.264  0.830  1.0
  O  O39  1  0.063  0.764  0.670  1.0
  O  O40  1  0.963  0.775  0.301  1.0
  O  O41  1  0.537  0.275  0.199  1.0
  O  O42  1  0.037  0.225  0.699  1.0
  O  O43  1  0.463  0.725  0.801  1.0
[/CIF]
.
The compound described by Nd3IrO7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(1), one O(5), one O(6), one O(7), two equivalent O(2), and two equivalent O(3) atoms. In the third Nd site, Nd(3) is bonded to one O(1), one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted NdO7 pentagonal bipyramids that share  a cornercorner with one Ir(1)O6 octahedra,  a cornercorner with one Ir(2)O6 octahedra,  an edgeedge with one Ir(1)O6 octahedra,  an edgeedge with one Ir(2)O6 octahedra, and edges with two equivalent Nd(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 29-38°. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form IrO6 octahedra that share corners with two equivalent Ir(2)O6 octahedra, corners with two equivalent Nd(3)O7 pentagonal bipyramids, and edges with two equivalent Nd(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. In the second Ir site, Ir(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form IrO6 octahedra that share corners with two equivalent Ir(1)O6 octahedra, corners with two equivalent Nd(3)O7 pentagonal bipyramids, and edges with two equivalent Nd(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Nd(2), two equivalent Nd(3), and one Ir(1) atom. In the second O site, O(6) is bonded to one Nd(2), one Nd(3), and two equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with two equivalent O(6)Nd4 tetrahedra, corners with four equivalent O(7)Nd4 tetrahedra, corners with two equivalent O(1)Nd2Ir2 trigonal pyramids, corners with two equivalent O(3)Nd3Ir trigonal pyramids, corners with two equivalent O(4)Nd3Ir trigonal pyramids,  an edgeedge with one O(7)Nd4 tetrahedra,  an edgeedge with one O(3)Nd3Ir trigonal pyramid, and  an edgeedge with one O(4)Nd3Ir trigonal pyramid. In the third O site, O(7) is bonded to one Nd(2), one Nd(3), and two equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with two equivalent O(7)Nd4 tetrahedra, corners with four equivalent O(6)Nd4 tetrahedra, corners with two equivalent O(1)Nd2Ir2 trigonal pyramids, corners with two equivalent O(3)Nd3Ir trigonal pyramids, corners with two equivalent O(4)Nd3Ir trigonal pyramids,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(3)Nd3Ir trigonal pyramid, and  an edgeedge with one O(4)Nd3Ir trigonal pyramid. In the fourth O site, O(1) is bonded to one Nd(2), one Nd(3), one Ir(1), and one Ir(2) atom to form distorted ONd2Ir2 trigonal pyramids that share corners with two equivalent O(6)Nd4 tetrahedra, corners with two equivalent O(7)Nd4 tetrahedra, corners with two equivalent O(1)Nd2Ir2 trigonal pyramids, corners with two equivalent O(3)Nd3Ir trigonal pyramids, corners with two equivalent O(4)Nd3Ir trigonal pyramids,  an edgeedge with one O(3)Nd3Ir trigonal pyramid, and  an edgeedge with one O(4)Nd3Ir trigonal pyramid. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Ir(2) atom. In the sixth O site, O(3) is bonded to one Nd(1), two equivalent Nd(2), and one Ir(1) atom to form ONd3Ir trigonal pyramids that share corners with two equivalent O(6)Nd4 tetrahedra, corners with two equivalent O(7)Nd4 tetrahedra,  a cornercorner with one O(3)Nd3Ir trigonal pyramid,  a cornercorner with one O(4)Nd3Ir trigonal pyramid, corners with two equivalent O(1)Nd2Ir2 trigonal pyramids,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(7)Nd4 tetrahedra,  an edgeedge with one O(1)Nd2Ir2 trigonal pyramid, and  an edgeedge with one O(3)Nd3Ir trigonal pyramid. In the seventh O site, O(4) is bonded to one Nd(1), two equivalent Nd(3), and one Ir(2) atom to form distorted ONd3Ir trigonal pyramids that share corners with two equivalent O(6)Nd4 tetrahedra, corners with two equivalent O(7)Nd4 tetrahedra,  a cornercorner with one O(3)Nd3Ir trigonal pyramid, corners with two equivalent O(1)Nd2Ir2 trigonal pyramids, corners with three equivalent O(4)Nd3Ir trigonal pyramids,  an edgeedge with one O(6)Nd4 tetrahedra,  an edgeedge with one O(7)Nd4 tetrahedra, and  an edgeedge with one O(1)Nd2Ir2 trigonal pyramid. is represented by the CIF card [CIF]
data_Nd3IrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.644
_cell_length_b   7.505
_cell_length_c   12.485
_cell_angle_alpha   90.000
_cell_angle_beta   98.779
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   615.318
_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
  Nd  Nd0  1  0.225  0.501  0.755  1.0
  Nd  Nd1  1  0.275  0.001  0.745  1.0
  Nd  Nd2  1  0.775  0.499  0.245  1.0
  Nd  Nd3  1  0.725  0.999  0.255  1.0
  Nd  Nd4  1  0.073  0.741  0.485  1.0
  Nd  Nd5  1  0.427  0.241  0.015  1.0
  Nd  Nd6  1  0.927  0.259  0.515  1.0
  Nd  Nd7  1  0.573  0.759  0.985  1.0
  Nd  Nd8  1  0.737  0.755  0.708  1.0
  Nd  Nd9  1  0.763  0.255  0.792  1.0
  Nd  Nd10  1  0.263  0.245  0.292  1.0
  Nd  Nd11  1  0.237  0.745  0.208  1.0
  Ir  Ir12  1  0.500  0.500  0.500  1.0
  Ir  Ir13  1  0.000  0.000  0.000  1.0
  Ir  Ir14  1  0.000  0.500  0.000  1.0
  Ir  Ir15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.956  0.750  0.050  1.0
  O  O17  1  0.544  0.250  0.450  1.0
  O  O18  1  0.044  0.250  0.950  1.0
  O  O19  1  0.456  0.750  0.550  1.0
  O  O20  1  0.278  0.542  0.983  1.0
  O  O21  1  0.222  0.042  0.517  1.0
  O  O22  1  0.722  0.458  0.017  1.0
  O  O23  1  0.778  0.958  0.483  1.0
  O  O24  1  0.774  0.540  0.446  1.0
  O  O25  1  0.726  0.040  0.054  1.0
  O  O26  1  0.226  0.460  0.554  1.0
  O  O27  1  0.274  0.960  0.946  1.0
  O  O28  1  0.918  0.541  0.838  1.0
  O  O29  1  0.582  0.041  0.662  1.0
  O  O30  1  0.082  0.459  0.162  1.0
  O  O31  1  0.418  0.959  0.338  1.0
  O  O32  1  0.340  0.548  0.362  1.0
  O  O33  1  0.160  0.048  0.138  1.0
  O  O34  1  0.660  0.452  0.638  1.0
  O  O35  1  0.840  0.952  0.862  1.0
  O  O36  1  0.563  0.736  0.170  1.0
  O  O37  1  0.937  0.236  0.330  1.0
  O  O38  1  0.437  0.264  0.830  1.0
  O  O39  1  0.063  0.764  0.670  1.0
  O  O40  1  0.963  0.775  0.301  1.0
  O  O41  1  0.537  0.275  0.199  1.0
  O  O42  1  0.037  0.225  0.699  1.0
  O  O43  1  0.463  0.725  0.801  1.0
[/CIF]
.