The material structure described by CNSnI3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. The structure consists of one hydrogen cyanide molecule 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 0-3°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a linear geometry to two equivalent Sn(1) atoms. In the second I site, I(2) is bonded in a linear geometry to two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_SnCI3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.003
_cell_length_b   6.003
_cell_length_c   5.926
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.520
_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  0.000  0.000  0.950  1.0
  C  C1  1  0.500  0.500  0.308  1.0
  I  I2  1  0.500  0.000  0.963  1.0
  I  I3  1  0.000  0.500  0.963  1.0
  I  I4  1  0.000  0.000  0.462  1.0
  N  N5  1  0.500  0.500  0.508  1.0
[/CIF]
.
The material structure described by CNSnI3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. The structure consists of one hydrogen cyanide molecule 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 0-3°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a linear geometry to two equivalent Sn(1) atoms. In the second I site, I(2) is bonded in a linear geometry to two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_SnCI3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.003
_cell_length_b   6.003
_cell_length_c   5.926
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.520
_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  0.000  0.000  0.950  1.0
  C  C1  1  0.500  0.500  0.308  1.0
  I  I2  1  0.500  0.000  0.963  1.0
  I  I3  1  0.000  0.500  0.963  1.0
  I  I4  1  0.000  0.000  0.462  1.0
  N  N5  1  0.500  0.500  0.508  1.0
[/CIF]
.