The material structure described by PbN3S2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four PbN3S2 clusters. Pb(1) is bonded in a 3-coordinate geometry to one N(2), one N(3), and one S(1) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one Pb(1) and one S(2) atom. In the third N site, N(3) is bonded in a single-bond geometry to one Pb(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one Pb(1) and one N(1) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PbS2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.010
_cell_length_b   6.275
_cell_length_c   16.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.958
_symmetry_Int_Tables_number   1
_cell_volume   622.654
_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
  Pb  Pb0  1  0.303  0.223  0.565  1.0
  Pb  Pb1  1  0.197  0.777  0.065  1.0
  Pb  Pb2  1  0.697  0.777  0.435  1.0
  Pb  Pb3  1  0.803  0.223  0.935  1.0
  S  S4  1  0.196  0.641  0.559  1.0
  S  S5  1  0.304  0.359  0.059  1.0
  S  S6  1  0.804  0.359  0.441  1.0
  S  S7  1  0.696  0.641  0.941  1.0
  S  S8  1  0.531  0.621  0.679  1.0
  S  S9  1  0.969  0.379  0.179  1.0
  S  S10  1  0.469  0.379  0.321  1.0
  S  S11  1  0.031  0.621  0.821  1.0
  N  N12  1  0.362  0.760  0.628  1.0
  N  N13  1  0.138  0.240  0.128  1.0
  N  N14  1  0.638  0.240  0.372  1.0
  N  N15  1  0.862  0.760  0.872  1.0
  N  N16  1  0.531  0.383  0.660  1.0
  N  N17  1  0.969  0.617  0.160  1.0
  N  N18  1  0.469  0.617  0.340  1.0
  N  N19  1  0.031  0.383  0.840  1.0
  N  N20  1  0.017  0.131  0.662  1.0
  N  N21  1  0.483  0.869  0.162  1.0
  N  N22  1  0.983  0.869  0.338  1.0
  N  N23  1  0.517  0.131  0.838  1.0
[/CIF]
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The material structure described by PbN3S2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four PbN3S2 clusters. Pb(1) is bonded in a 3-coordinate geometry to one N(2), one N(3), and one S(1) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one Pb(1) and one S(2) atom. In the third N site, N(3) is bonded in a single-bond geometry to one Pb(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one Pb(1) and one N(1) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PbS2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.010
_cell_length_b   6.275
_cell_length_c   16.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.958
_symmetry_Int_Tables_number   1
_cell_volume   622.654
_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
  Pb  Pb0  1  0.303  0.223  0.565  1.0
  Pb  Pb1  1  0.197  0.777  0.065  1.0
  Pb  Pb2  1  0.697  0.777  0.435  1.0
  Pb  Pb3  1  0.803  0.223  0.935  1.0
  S  S4  1  0.196  0.641  0.559  1.0
  S  S5  1  0.304  0.359  0.059  1.0
  S  S6  1  0.804  0.359  0.441  1.0
  S  S7  1  0.696  0.641  0.941  1.0
  S  S8  1  0.531  0.621  0.679  1.0
  S  S9  1  0.969  0.379  0.179  1.0
  S  S10  1  0.469  0.379  0.321  1.0
  S  S11  1  0.031  0.621  0.821  1.0
  N  N12  1  0.362  0.760  0.628  1.0
  N  N13  1  0.138  0.240  0.128  1.0
  N  N14  1  0.638  0.240  0.372  1.0
  N  N15  1  0.862  0.760  0.872  1.0
  N  N16  1  0.531  0.383  0.660  1.0
  N  N17  1  0.969  0.617  0.160  1.0
  N  N18  1  0.469  0.617  0.340  1.0
  N  N19  1  0.031  0.383  0.840  1.0
  N  N20  1  0.017  0.131  0.662  1.0
  N  N21  1  0.483  0.869  0.162  1.0
  N  N22  1  0.983  0.869  0.338  1.0
  N  N23  1  0.517  0.131  0.838  1.0
[/CIF]
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