The structure described by HC(NH2)2PbI3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmm2 space group. The structure consists of one iminomethanaminium molecule inside a PbI3 framework. In the PbI3 framework, Pb(1) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are three inequivalent I sites. In the first I site, I(2) is bonded in a linear geometry to two equivalent Pb(1) atoms. In the second I site, I(3) is bonded in a linear geometry to two equivalent Pb(1) atoms. In the third I site, I(1) is bonded in a linear geometry to two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_H5PbCI3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.352
_cell_length_b   6.488
_cell_length_c   6.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.033
_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  0.267  0.500  0.701  1.0
  H  H1  1  0.267  0.500  0.299  1.0
  H  H2  1  0.692  0.500  0.500  1.0
  H  H3  1  0.518  0.500  0.191  1.0
  H  H4  1  0.518  0.500  0.809  1.0
  Pb  Pb5  1  0.965  0.000  0.000  1.0
  C  C6  1  0.520  0.500  0.500  1.0
  I  I7  1  0.984  0.000  0.500  1.0
  I  I8  1  0.463  0.000  0.000  1.0
  I  I9  1  0.921  0.500  0.000  1.0
  N  N10  1  0.427  0.500  0.320  1.0
  N  N11  1  0.427  0.500  0.680  1.0
[/CIF]
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The structure described by HC(NH2)2PbI3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmm2 space group. The structure consists of one iminomethanaminium molecule inside a PbI3 framework. In the PbI3 framework, Pb(1) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are three inequivalent I sites. In the first I site, I(2) is bonded in a linear geometry to two equivalent Pb(1) atoms. In the second I site, I(3) is bonded in a linear geometry to two equivalent Pb(1) atoms. In the third I site, I(1) is bonded in a linear geometry to two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_H5PbCI3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.352
_cell_length_b   6.488
_cell_length_c   6.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.033
_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  0.267  0.500  0.701  1.0
  H  H1  1  0.267  0.500  0.299  1.0
  H  H2  1  0.692  0.500  0.500  1.0
  H  H3  1  0.518  0.500  0.191  1.0
  H  H4  1  0.518  0.500  0.809  1.0
  Pb  Pb5  1  0.965  0.000  0.000  1.0
  C  C6  1  0.520  0.500  0.500  1.0
  I  I7  1  0.984  0.000  0.500  1.0
  I  I8  1  0.463  0.000  0.000  1.0
  I  I9  1  0.921  0.500  0.000  1.0
  N  N10  1  0.427  0.500  0.320  1.0
  N  N11  1  0.427  0.500  0.680  1.0
[/CIF]
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