The material described by CN2H5SnI3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the orthorhombic Amm2 space group. The structure consists of two iminomethanaminium molecules inside a SnI3 framework. In the SnI3 framework, Sn(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are two inequivalent I sites. In the first I site, I(2) is bonded in a linear geometry to two equivalent Sn(1) atoms. In the second I site, I(1) is bonded in a linear geometry to two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_SnH5CI3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.318
_cell_length_b   6.318
_cell_length_c   6.555
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.588
_symmetry_Int_Tables_number   1
_cell_volume   261.406
_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
  Sn  Sn0  1  0.618  0.382  0.500  1.0
  H  H1  1  0.265  0.735  0.192  1.0
  H  H2  1  0.265  0.735  0.808  1.0
  H  H3  1  0.092  0.908  0.306  1.0
  H  H4  1  0.092  0.908  0.694  1.0
  H  H5  1  0.967  0.033  0.000  1.0
  C  C6  1  0.087  0.913  0.000  1.0
  I  I7  1  0.631  0.871  0.500  1.0
  I  I8  1  0.129  0.369  0.500  1.0
  I  I9  1  0.621  0.379  0.000  1.0
  N  N10  1  0.153  0.847  0.177  1.0
  N  N11  1  0.153  0.847  0.823  1.0
[/CIF]
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The material described by CN2H5SnI3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the orthorhombic Amm2 space group. The structure consists of two iminomethanaminium molecules inside a SnI3 framework. In the SnI3 framework, Sn(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are two inequivalent I sites. In the first I site, I(2) is bonded in a linear geometry to two equivalent Sn(1) atoms. In the second I site, I(1) is bonded in a linear geometry to two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_SnH5CI3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.318
_cell_length_b   6.318
_cell_length_c   6.555
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.588
_symmetry_Int_Tables_number   1
_cell_volume   261.406
_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
  Sn  Sn0  1  0.618  0.382  0.500  1.0
  H  H1  1  0.265  0.735  0.192  1.0
  H  H2  1  0.265  0.735  0.808  1.0
  H  H3  1  0.092  0.908  0.306  1.0
  H  H4  1  0.092  0.908  0.694  1.0
  H  H5  1  0.967  0.033  0.000  1.0
  C  C6  1  0.087  0.913  0.000  1.0
  I  I7  1  0.631  0.871  0.500  1.0
  I  I8  1  0.129  0.369  0.500  1.0
  I  I9  1  0.621  0.379  0.000  1.0
  N  N10  1  0.153  0.847  0.177  1.0
  N  N11  1  0.153  0.847  0.823  1.0
[/CIF]
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