The material structure described by Nb3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing NbN4 tetrahedra. In the second Nb site, Nb(2) is bonded in a 4-coordinate geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the third Nb site, Nb(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form corner-sharing NbN4 tetrahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a single-bond geometry to one N(2) atom. In the second Pb site, Pb(2) is bonded in a distorted single-bond geometry to one N(5) atom. In the third Pb site, Pb(3) is bonded in a single-bond geometry to one N(3) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Nb(2), one Nb(3), and one Pb(1) atom. In the third N site, N(3) is bonded in a distorted T-shaped geometry to two equivalent Nb(1) and one Pb(3) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Nb(3) and two equivalent Nb(2) atoms. In the fifth N site, N(5) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(3), and one Pb(2) atom. is represented by the CIF file [CIF]
data_Nb3Pb3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.380
_cell_length_b   7.957
_cell_length_c   9.248
_cell_angle_alpha   104.978
_cell_angle_beta   96.234
_cell_angle_gamma   104.064
_symmetry_Int_Tables_number   1
_cell_volume   432.536
_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
  Nb  Nb0  1  0.918  0.301  0.961  1.0
  Nb  Nb1  1  0.082  0.699  0.039  1.0
  Nb  Nb2  1  0.671  0.985  0.622  1.0
  Nb  Nb3  1  0.329  0.015  0.378  1.0
  Nb  Nb4  1  0.101  0.924  0.713  1.0
  Nb  Nb5  1  0.899  0.076  0.287  1.0
  Pb  Pb6  1  0.747  0.454  0.512  1.0
  Pb  Pb7  1  0.253  0.546  0.488  1.0
  Pb  Pb8  1  0.518  0.792  0.875  1.0
  Pb  Pb9  1  0.482  0.208  0.125  1.0
  Pb  Pb10  1  0.526  0.651  0.221  1.0
  Pb  Pb11  1  0.474  0.349  0.779  1.0
  N  N12  1  0.966  0.129  0.770  1.0
  N  N13  1  0.034  0.871  0.230  1.0
  N  N14  1  0.818  0.787  0.583  1.0
  N  N15  1  0.182  0.213  0.417  1.0
  N  N16  1  0.800  0.518  0.963  1.0
  N  N17  1  0.200  0.482  0.037  1.0
  N  N18  1  0.323  0.950  0.571  1.0
  N  N19  1  0.677  0.050  0.429  1.0
  N  N20  1  0.147  0.817  0.879  1.0
  N  N21  1  0.853  0.183  0.121  1.0
[/CIF]
.
The material structure described by Nb3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing NbN4 tetrahedra. In the second Nb site, Nb(2) is bonded in a 4-coordinate geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the third Nb site, Nb(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form corner-sharing NbN4 tetrahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a single-bond geometry to one N(2) atom. In the second Pb site, Pb(2) is bonded in a distorted single-bond geometry to one N(5) atom. In the third Pb site, Pb(3) is bonded in a single-bond geometry to one N(3) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Nb(2), one Nb(3), and one Pb(1) atom. In the third N site, N(3) is bonded in a distorted T-shaped geometry to two equivalent Nb(1) and one Pb(3) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Nb(3) and two equivalent Nb(2) atoms. In the fifth N site, N(5) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(3), and one Pb(2) atom. is represented by the CIF file [CIF]
data_Nb3Pb3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.380
_cell_length_b   7.957
_cell_length_c   9.248
_cell_angle_alpha   104.978
_cell_angle_beta   96.234
_cell_angle_gamma   104.064
_symmetry_Int_Tables_number   1
_cell_volume   432.536
_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
  Nb  Nb0  1  0.918  0.301  0.961  1.0
  Nb  Nb1  1  0.082  0.699  0.039  1.0
  Nb  Nb2  1  0.671  0.985  0.622  1.0
  Nb  Nb3  1  0.329  0.015  0.378  1.0
  Nb  Nb4  1  0.101  0.924  0.713  1.0
  Nb  Nb5  1  0.899  0.076  0.287  1.0
  Pb  Pb6  1  0.747  0.454  0.512  1.0
  Pb  Pb7  1  0.253  0.546  0.488  1.0
  Pb  Pb8  1  0.518  0.792  0.875  1.0
  Pb  Pb9  1  0.482  0.208  0.125  1.0
  Pb  Pb10  1  0.526  0.651  0.221  1.0
  Pb  Pb11  1  0.474  0.349  0.779  1.0
  N  N12  1  0.966  0.129  0.770  1.0
  N  N13  1  0.034  0.871  0.230  1.0
  N  N14  1  0.818  0.787  0.583  1.0
  N  N15  1  0.182  0.213  0.417  1.0
  N  N16  1  0.800  0.518  0.963  1.0
  N  N17  1  0.200  0.482  0.037  1.0
  N  N18  1  0.323  0.950  0.571  1.0
  N  N19  1  0.677  0.050  0.429  1.0
  N  N20  1  0.147  0.817  0.879  1.0
  N  N21  1  0.853  0.183  0.121  1.0
[/CIF]
.