The structure described by CN2H5PbCl3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmm2 space group. The structure consists of one iminomethanaminium molecule inside a PbCl3 framework. In the PbCl3 framework, Pb(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form corner-sharing PbCl6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a linear geometry to two equivalent Pb(1) atoms. In the second Cl site, Cl(2) is bonded in a linear geometry to two equivalent Pb(1) atoms. In the third Cl site, Cl(3) is bonded in a linear geometry to two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_H5PbCN2Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   5.981
_cell_length_c   5.936
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.203
_cell_formula_units_Z   1
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
  H  H0  1  0.752  0.281  0.500  1.0
  H  H1  1  0.752  0.719  0.500  1.0
  H  H2  1  0.280  0.500  0.500  1.0
  H  H3  1  0.467  0.831  0.500  1.0
  H  H4  1  0.467  0.169  0.500  1.0
  Pb  Pb5  1  0.045  0.000  0.000  1.0
  C  C6  1  0.471  0.500  0.500  1.0
  N  N7  1  0.575  0.695  0.500  1.0
  N  N8  1  0.575  0.305  0.500  1.0
  Cl  Cl9  1  0.030  0.500  0.000  1.0
  Cl  Cl10  1  0.540  0.000  0.000  1.0
  Cl  Cl11  1  0.078  0.000  0.500  1.0
[/CIF]
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The structure described by CN2H5PbCl3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmm2 space group. The structure consists of one iminomethanaminium molecule inside a PbCl3 framework. In the PbCl3 framework, Pb(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form corner-sharing PbCl6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a linear geometry to two equivalent Pb(1) atoms. In the second Cl site, Cl(2) is bonded in a linear geometry to two equivalent Pb(1) atoms. In the third Cl site, Cl(3) is bonded in a linear geometry to two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_H5PbCN2Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   5.981
_cell_length_c   5.936
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.203
_cell_formula_units_Z   1
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
  H  H0  1  0.752  0.281  0.500  1.0
  H  H1  1  0.752  0.719  0.500  1.0
  H  H2  1  0.280  0.500  0.500  1.0
  H  H3  1  0.467  0.831  0.500  1.0
  H  H4  1  0.467  0.169  0.500  1.0
  Pb  Pb5  1  0.045  0.000  0.000  1.0
  C  C6  1  0.471  0.500  0.500  1.0
  N  N7  1  0.575  0.695  0.500  1.0
  N  N8  1  0.575  0.305  0.500  1.0
  Cl  Cl9  1  0.030  0.500  0.000  1.0
  Cl  Cl10  1  0.540  0.000  0.000  1.0
  Cl  Cl11  1  0.078  0.000  0.500  1.0
[/CIF]
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