The material described by CH3NH3SnI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure consists of four methylammonium molecules inside a SnI3 framework. In the SnI3 framework, Sn(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedral tilt angles range from 13-29°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted linear geometry to two equivalent Sn(1) atoms. In the second I site, I(2) is bonded in a bent 150 degrees geometry to two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnH6CI3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.505
_cell_length_b   9.149
_cell_length_c   13.156
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1023.747
_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
  Sn  Sn0  1  0.500  0.500  0.000  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.500  0.500  0.500  1.0
  Sn  Sn3  1  0.000  0.000  0.500  1.0
  H  H4  1  0.495  0.142  0.314  1.0
  H  H5  1  0.505  0.858  0.686  1.0
  H  H6  1  0.005  0.642  0.686  1.0
  H  H7  1  0.995  0.358  0.314  1.0
  H  H8  1  0.505  0.858  0.814  1.0
  H  H9  1  0.495  0.142  0.186  1.0
  H  H10  1  0.995  0.358  0.186  1.0
  H  H11  1  0.005  0.642  0.814  1.0
  H  H12  1  0.337  0.076  0.250  1.0
  H  H13  1  0.663  0.924  0.750  1.0
  H  H14  1  0.163  0.576  0.750  1.0
  H  H15  1  0.837  0.424  0.250  1.0
  H  H16  1  0.493  0.881  0.319  1.0
  H  H17  1  0.507  0.119  0.681  1.0
  H  H18  1  0.007  0.381  0.681  1.0
  H  H19  1  0.993  0.619  0.319  1.0
  H  H20  1  0.507  0.119  0.819  1.0
  H  H21  1  0.493  0.881  0.181  1.0
  H  H22  1  0.993  0.619  0.181  1.0
  H  H23  1  0.007  0.381  0.819  1.0
  H  H24  1  0.660  0.951  0.250  1.0
  H  H25  1  0.340  0.049  0.750  1.0
  H  H26  1  0.840  0.451  0.750  1.0
  H  H27  1  0.160  0.549  0.250  1.0
  C  C28  1  0.532  0.938  0.250  1.0
  C  C29  1  0.468  0.062  0.750  1.0
  C  C30  1  0.968  0.438  0.750  1.0
  C  C31  1  0.032  0.562  0.250  1.0
  I  I32  1  0.542  0.511  0.250  1.0
  I  I33  1  0.458  0.489  0.750  1.0
  I  I34  1  0.958  0.011  0.750  1.0
  I  I35  1  0.042  0.989  0.250  1.0
  I  I36  1  0.814  0.695  0.978  1.0
  I  I37  1  0.186  0.305  0.022  1.0
  I  I38  1  0.686  0.195  0.022  1.0
  I  I39  1  0.314  0.805  0.978  1.0
  I  I40  1  0.186  0.305  0.478  1.0
  I  I41  1  0.814  0.695  0.522  1.0
  I  I42  1  0.314  0.805  0.522  1.0
  I  I43  1  0.686  0.195  0.478  1.0
  N  N44  1  0.460  0.086  0.250  1.0
  N  N45  1  0.540  0.914  0.750  1.0
  N  N46  1  0.040  0.586  0.750  1.0
  N  N47  1  0.960  0.414  0.250  1.0
[/CIF]
.
The material described by CH3NH3SnI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure consists of four methylammonium molecules inside a SnI3 framework. In the SnI3 framework, Sn(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedral tilt angles range from 13-29°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted linear geometry to two equivalent Sn(1) atoms. In the second I site, I(2) is bonded in a bent 150 degrees geometry to two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnH6CI3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.505
_cell_length_b   9.149
_cell_length_c   13.156
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1023.747
_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
  Sn  Sn0  1  0.500  0.500  0.000  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.500  0.500  0.500  1.0
  Sn  Sn3  1  0.000  0.000  0.500  1.0
  H  H4  1  0.495  0.142  0.314  1.0
  H  H5  1  0.505  0.858  0.686  1.0
  H  H6  1  0.005  0.642  0.686  1.0
  H  H7  1  0.995  0.358  0.314  1.0
  H  H8  1  0.505  0.858  0.814  1.0
  H  H9  1  0.495  0.142  0.186  1.0
  H  H10  1  0.995  0.358  0.186  1.0
  H  H11  1  0.005  0.642  0.814  1.0
  H  H12  1  0.337  0.076  0.250  1.0
  H  H13  1  0.663  0.924  0.750  1.0
  H  H14  1  0.163  0.576  0.750  1.0
  H  H15  1  0.837  0.424  0.250  1.0
  H  H16  1  0.493  0.881  0.319  1.0
  H  H17  1  0.507  0.119  0.681  1.0
  H  H18  1  0.007  0.381  0.681  1.0
  H  H19  1  0.993  0.619  0.319  1.0
  H  H20  1  0.507  0.119  0.819  1.0
  H  H21  1  0.493  0.881  0.181  1.0
  H  H22  1  0.993  0.619  0.181  1.0
  H  H23  1  0.007  0.381  0.819  1.0
  H  H24  1  0.660  0.951  0.250  1.0
  H  H25  1  0.340  0.049  0.750  1.0
  H  H26  1  0.840  0.451  0.750  1.0
  H  H27  1  0.160  0.549  0.250  1.0
  C  C28  1  0.532  0.938  0.250  1.0
  C  C29  1  0.468  0.062  0.750  1.0
  C  C30  1  0.968  0.438  0.750  1.0
  C  C31  1  0.032  0.562  0.250  1.0
  I  I32  1  0.542  0.511  0.250  1.0
  I  I33  1  0.458  0.489  0.750  1.0
  I  I34  1  0.958  0.011  0.750  1.0
  I  I35  1  0.042  0.989  0.250  1.0
  I  I36  1  0.814  0.695  0.978  1.0
  I  I37  1  0.186  0.305  0.022  1.0
  I  I38  1  0.686  0.195  0.022  1.0
  I  I39  1  0.314  0.805  0.978  1.0
  I  I40  1  0.186  0.305  0.478  1.0
  I  I41  1  0.814  0.695  0.522  1.0
  I  I42  1  0.314  0.805  0.522  1.0
  I  I43  1  0.686  0.195  0.478  1.0
  N  N44  1  0.460  0.086  0.250  1.0
  N  N45  1  0.540  0.914  0.750  1.0
  N  N46  1  0.040  0.586  0.750  1.0
  N  N47  1  0.960  0.414  0.250  1.0
[/CIF]
.