The material described by Al2Pb3N4 crystallizes in the monoclinic C2/c space group. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of edge and corner-sharing AlN4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted T-shaped geometry to one N(1) and two equivalent N(2) atoms. In the second Pb site, Pb(2) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Al(1), one Pb(1), and one Pb(2) atom. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Al(1) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_Al2Pb3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.273
_cell_length_b   8.837
_cell_length_c   5.697
_cell_angle_alpha   90.000
_cell_angle_beta   77.593
_cell_angle_gamma   122.282
_symmetry_Int_Tables_number   1
_cell_volume   340.540
_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
  Al  Al0  1  0.480  0.136  0.578  1.0
  Al  Al1  1  0.520  0.656  0.922  1.0
  Al  Al2  1  0.520  0.864  0.422  1.0
  Al  Al3  1  0.480  0.344  0.078  1.0
  Pb  Pb4  1  0.255  0.877  0.130  1.0
  Pb  Pb5  1  0.745  0.622  0.370  1.0
  Pb  Pb6  1  0.745  0.123  0.870  1.0
  Pb  Pb7  1  0.255  0.378  0.630  1.0
  Pb  Pb8  1  0.000  0.632  0.750  1.0
  Pb  Pb9  1  0.000  0.368  0.250  1.0
  N  N10  1  0.297  0.895  0.525  1.0
  N  N11  1  0.703  0.598  0.975  1.0
  N  N12  1  0.703  0.105  0.475  1.0
  N  N13  1  0.297  0.402  0.025  1.0
  N  N14  1  0.481  0.164  0.909  1.0
  N  N15  1  0.519  0.683  0.591  1.0
  N  N16  1  0.519  0.836  0.091  1.0
  N  N17  1  0.481  0.317  0.409  1.0
[/CIF]
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The material described by Al2Pb3N4 crystallizes in the monoclinic C2/c space group. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of edge and corner-sharing AlN4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted T-shaped geometry to one N(1) and two equivalent N(2) atoms. In the second Pb site, Pb(2) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Al(1), one Pb(1), and one Pb(2) atom. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Al(1) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_Al2Pb3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.273
_cell_length_b   8.837
_cell_length_c   5.697
_cell_angle_alpha   90.000
_cell_angle_beta   77.593
_cell_angle_gamma   122.282
_symmetry_Int_Tables_number   1
_cell_volume   340.540
_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
  Al  Al0  1  0.480  0.136  0.578  1.0
  Al  Al1  1  0.520  0.656  0.922  1.0
  Al  Al2  1  0.520  0.864  0.422  1.0
  Al  Al3  1  0.480  0.344  0.078  1.0
  Pb  Pb4  1  0.255  0.877  0.130  1.0
  Pb  Pb5  1  0.745  0.622  0.370  1.0
  Pb  Pb6  1  0.745  0.123  0.870  1.0
  Pb  Pb7  1  0.255  0.378  0.630  1.0
  Pb  Pb8  1  0.000  0.632  0.750  1.0
  Pb  Pb9  1  0.000  0.368  0.250  1.0
  N  N10  1  0.297  0.895  0.525  1.0
  N  N11  1  0.703  0.598  0.975  1.0
  N  N12  1  0.703  0.105  0.475  1.0
  N  N13  1  0.297  0.402  0.025  1.0
  N  N14  1  0.481  0.164  0.909  1.0
  N  N15  1  0.519  0.683  0.591  1.0
  N  N16  1  0.519  0.836  0.091  1.0
  N  N17  1  0.481  0.317  0.409  1.0
[/CIF]
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