The crystal structure described by PbCNSCl crystallizes in the orthorhombic Pnma space group. Pb(1) is bonded in a 8-coordinate geometry to two equivalent N(1), three equivalent S(1), and three equivalent Cl(1) atoms. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a single-bond geometry to two equivalent Pb(1) and one C(1) atom. S(1) is bonded in a single-bond geometry to three equivalent Pb(1) and one C(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to three equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PbCSNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.325
_cell_length_b   9.824
_cell_length_c   10.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   436.090
_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  0.250  0.920  0.810  1.0
  Pb  Pb1  1  0.750  0.420  0.690  1.0
  Pb  Pb2  1  0.250  0.580  0.310  1.0
  Pb  Pb3  1  0.750  0.080  0.190  1.0
  C  C4  1  0.250  0.141  0.483  1.0
  C  C5  1  0.750  0.859  0.517  1.0
  C  C6  1  0.250  0.359  0.983  1.0
  C  C7  1  0.750  0.641  0.017  1.0
  S  S8  1  0.250  0.309  0.136  1.0
  S  S9  1  0.750  0.691  0.864  1.0
  S  S10  1  0.250  0.191  0.636  1.0
  S  S11  1  0.750  0.809  0.364  1.0
  N  N12  1  0.750  0.896  0.627  1.0
  N  N13  1  0.250  0.104  0.373  1.0
  N  N14  1  0.250  0.396  0.873  1.0
  N  N15  1  0.750  0.604  0.127  1.0
  Cl  Cl16  1  0.750  0.104  0.903  1.0
  Cl  Cl17  1  0.750  0.396  0.403  1.0
  Cl  Cl18  1  0.250  0.896  0.097  1.0
  Cl  Cl19  1  0.250  0.604  0.597  1.0
[/CIF]
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The crystal structure described by PbCNSCl crystallizes in the orthorhombic Pnma space group. Pb(1) is bonded in a 8-coordinate geometry to two equivalent N(1), three equivalent S(1), and three equivalent Cl(1) atoms. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a single-bond geometry to two equivalent Pb(1) and one C(1) atom. S(1) is bonded in a single-bond geometry to three equivalent Pb(1) and one C(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to three equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PbCSNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.325
_cell_length_b   9.824
_cell_length_c   10.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   436.090
_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  0.250  0.920  0.810  1.0
  Pb  Pb1  1  0.750  0.420  0.690  1.0
  Pb  Pb2  1  0.250  0.580  0.310  1.0
  Pb  Pb3  1  0.750  0.080  0.190  1.0
  C  C4  1  0.250  0.141  0.483  1.0
  C  C5  1  0.750  0.859  0.517  1.0
  C  C6  1  0.250  0.359  0.983  1.0
  C  C7  1  0.750  0.641  0.017  1.0
  S  S8  1  0.250  0.309  0.136  1.0
  S  S9  1  0.750  0.691  0.864  1.0
  S  S10  1  0.250  0.191  0.636  1.0
  S  S11  1  0.750  0.809  0.364  1.0
  N  N12  1  0.750  0.896  0.627  1.0
  N  N13  1  0.250  0.104  0.373  1.0
  N  N14  1  0.250  0.396  0.873  1.0
  N  N15  1  0.750  0.604  0.127  1.0
  Cl  Cl16  1  0.750  0.104  0.903  1.0
  Cl  Cl17  1  0.750  0.396  0.403  1.0
  Cl  Cl18  1  0.250  0.896  0.097  1.0
  Cl  Cl19  1  0.250  0.604  0.597  1.0
[/CIF]
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