The material structure described by Ti(PbN)4 crystallizes in the monoclinic C2/c space group. Ti(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Pb site, Pb(2) is bonded in a distorted T-shaped geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 1-coordinate geometry to one Ti(1), two equivalent Pb(1), and two equivalent Pb(2) atoms. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), one Pb(2), and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_Ti(PbN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.867
_cell_length_b   8.299
_cell_length_c   9.435
_cell_angle_alpha   63.940
_cell_angle_beta   74.689
_cell_angle_gamma   52.826
_symmetry_Int_Tables_number   1
_cell_volume   384.888
_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
  Ti  Ti0  1  0.750  0.789  0.750  1.0
  Ti  Ti1  1  0.250  0.211  0.250  1.0
  Pb  Pb2  1  0.741  0.623  0.127  1.0
  Pb  Pb3  1  0.259  0.377  0.873  1.0
  Pb  Pb4  1  0.790  0.293  0.958  1.0
  Pb  Pb5  1  0.210  0.707  0.042  1.0
  Pb  Pb6  1  0.710  0.541  0.542  1.0
  Pb  Pb7  1  0.290  0.459  0.458  1.0
  Pb  Pb8  1  0.241  0.009  0.626  1.0
  Pb  Pb9  1  0.759  0.991  0.374  1.0
  N  N10  1  0.960  0.592  0.636  1.0
  N  N11  1  0.040  0.408  0.364  1.0
  N  N12  1  0.959  0.724  0.898  1.0
  N  N13  1  0.041  0.276  0.102  1.0
  N  N14  1  0.540  0.688  0.864  1.0
  N  N15  1  0.460  0.312  0.136  1.0
  N  N16  1  0.459  0.919  0.398  1.0
  N  N17  1  0.541  0.081  0.602  1.0
[/CIF]
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The material structure described by Ti(PbN)4 crystallizes in the monoclinic C2/c space group. Ti(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Pb site, Pb(2) is bonded in a distorted T-shaped geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 1-coordinate geometry to one Ti(1), two equivalent Pb(1), and two equivalent Pb(2) atoms. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), one Pb(2), and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_Ti(PbN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.867
_cell_length_b   8.299
_cell_length_c   9.435
_cell_angle_alpha   63.940
_cell_angle_beta   74.689
_cell_angle_gamma   52.826
_symmetry_Int_Tables_number   1
_cell_volume   384.888
_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
  Ti  Ti0  1  0.750  0.789  0.750  1.0
  Ti  Ti1  1  0.250  0.211  0.250  1.0
  Pb  Pb2  1  0.741  0.623  0.127  1.0
  Pb  Pb3  1  0.259  0.377  0.873  1.0
  Pb  Pb4  1  0.790  0.293  0.958  1.0
  Pb  Pb5  1  0.210  0.707  0.042  1.0
  Pb  Pb6  1  0.710  0.541  0.542  1.0
  Pb  Pb7  1  0.290  0.459  0.458  1.0
  Pb  Pb8  1  0.241  0.009  0.626  1.0
  Pb  Pb9  1  0.759  0.991  0.374  1.0
  N  N10  1  0.960  0.592  0.636  1.0
  N  N11  1  0.040  0.408  0.364  1.0
  N  N12  1  0.959  0.724  0.898  1.0
  N  N13  1  0.041  0.276  0.102  1.0
  N  N14  1  0.540  0.688  0.864  1.0
  N  N15  1  0.460  0.312  0.136  1.0
  N  N16  1  0.459  0.919  0.398  1.0
  N  N17  1  0.541  0.081  0.602  1.0
[/CIF]
.