The structure described by Fe3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(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 FeN4 tetrahedra. In the second Fe site, Fe(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. In the third Fe site, Fe(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing FeN4 tetrahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted L-shaped geometry to one N(2) and one N(3) atom. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to one N(3) and one N(5) atom. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), and one Pb(3) atom. In the second N site, N(2) is bonded in a distorted L-shaped geometry to one Fe(2), one Fe(3), one Pb(1), and one Pb(3) atom. In the third N site, N(3) is bonded in a distorted L-shaped geometry to two equivalent Fe(1), one Pb(1), one Pb(2), and two equivalent Pb(3) atoms. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Fe(3), two equivalent Fe(2), and one Pb(3) atom. In the fifth N site, N(5) is bonded in a distorted bent 150 degrees geometry to one Fe(1), one Fe(3), and one Pb(2) atom. is represented by the CIF card [CIF]
data_Fe3Pb3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.660
_cell_length_b   7.512
_cell_length_c   8.255
_cell_angle_alpha   105.722
_cell_angle_beta   101.368
_cell_angle_gamma   95.415
_symmetry_Int_Tables_number   1
_cell_volume   327.177
_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
  Fe  Fe0  1  0.925  0.323  0.980  1.0
  Fe  Fe1  1  0.075  0.677  0.020  1.0
  Fe  Fe2  1  0.683  0.986  0.593  1.0
  Fe  Fe3  1  0.317  0.014  0.407  1.0
  Fe  Fe4  1  0.101  0.936  0.731  1.0
  Fe  Fe5  1  0.899  0.064  0.269  1.0
  Pb  Pb6  1  0.768  0.457  0.577  1.0
  Pb  Pb7  1  0.232  0.543  0.423  1.0
  Pb  Pb8  1  0.614  0.826  0.876  1.0
  Pb  Pb9  1  0.386  0.174  0.124  1.0
  Pb  Pb10  1  0.675  0.654  0.230  1.0
  Pb  Pb11  1  0.325  0.346  0.770  1.0
  N  N12  1  0.931  0.150  0.779  1.0
  N  N13  1  0.069  0.850  0.221  1.0
  N  N14  1  0.830  0.786  0.589  1.0
  N  N15  1  0.170  0.214  0.411  1.0
  N  N16  1  0.772  0.522  0.927  1.0
  N  N17  1  0.228  0.478  0.073  1.0
  N  N18  1  0.354  0.966  0.617  1.0
  N  N19  1  0.646  0.034  0.383  1.0
  N  N20  1  0.157  0.807  0.888  1.0
  N  N21  1  0.843  0.193  0.112  1.0
[/CIF]
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The structure described by Fe3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(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 FeN4 tetrahedra. In the second Fe site, Fe(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. In the third Fe site, Fe(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing FeN4 tetrahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted L-shaped geometry to one N(2) and one N(3) atom. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to one N(3) and one N(5) atom. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), and one Pb(3) atom. In the second N site, N(2) is bonded in a distorted L-shaped geometry to one Fe(2), one Fe(3), one Pb(1), and one Pb(3) atom. In the third N site, N(3) is bonded in a distorted L-shaped geometry to two equivalent Fe(1), one Pb(1), one Pb(2), and two equivalent Pb(3) atoms. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Fe(3), two equivalent Fe(2), and one Pb(3) atom. In the fifth N site, N(5) is bonded in a distorted bent 150 degrees geometry to one Fe(1), one Fe(3), and one Pb(2) atom. is represented by the CIF card [CIF]
data_Fe3Pb3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.660
_cell_length_b   7.512
_cell_length_c   8.255
_cell_angle_alpha   105.722
_cell_angle_beta   101.368
_cell_angle_gamma   95.415
_symmetry_Int_Tables_number   1
_cell_volume   327.177
_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
  Fe  Fe0  1  0.925  0.323  0.980  1.0
  Fe  Fe1  1  0.075  0.677  0.020  1.0
  Fe  Fe2  1  0.683  0.986  0.593  1.0
  Fe  Fe3  1  0.317  0.014  0.407  1.0
  Fe  Fe4  1  0.101  0.936  0.731  1.0
  Fe  Fe5  1  0.899  0.064  0.269  1.0
  Pb  Pb6  1  0.768  0.457  0.577  1.0
  Pb  Pb7  1  0.232  0.543  0.423  1.0
  Pb  Pb8  1  0.614  0.826  0.876  1.0
  Pb  Pb9  1  0.386  0.174  0.124  1.0
  Pb  Pb10  1  0.675  0.654  0.230  1.0
  Pb  Pb11  1  0.325  0.346  0.770  1.0
  N  N12  1  0.931  0.150  0.779  1.0
  N  N13  1  0.069  0.850  0.221  1.0
  N  N14  1  0.830  0.786  0.589  1.0
  N  N15  1  0.170  0.214  0.411  1.0
  N  N16  1  0.772  0.522  0.927  1.0
  N  N17  1  0.228  0.478  0.073  1.0
  N  N18  1  0.354  0.966  0.617  1.0
  N  N19  1  0.646  0.034  0.383  1.0
  N  N20  1  0.157  0.807  0.888  1.0
  N  N21  1  0.843  0.193  0.112  1.0
[/CIF]
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