The structure described by CsSnI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent I(2) and four equivalent I(1) atoms. 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 6-22°. There are two inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Cs(1) and two equivalent Sn(1) atoms to form distorted ICs2Sn2 trigonal pyramids that share corners with four equivalent I(2)Cs3Sn2 square pyramids, corners with ten equivalent I(1)Cs2Sn2 trigonal pyramids, edges with three equivalent I(2)Cs3Sn2 square pyramids, and  an edgeedge with one I(1)Cs2Sn2 trigonal pyramid. In the second I site, I(2) is bonded to three equivalent Cs(1) and two equivalent Sn(1) atoms to form distorted ICs3Sn2 square pyramids that share corners with four equivalent I(2)Cs3Sn2 square pyramids, corners with eight equivalent I(1)Cs2Sn2 trigonal pyramids, edges with two equivalent I(2)Cs3Sn2 square pyramids, and edges with six equivalent I(1)Cs2Sn2 trigonal pyramids. is represented by the CIF file [CIF]
data_CsSnI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.678
_cell_length_b   8.730
_cell_length_c   12.624
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   956.319
_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
  Cs  Cs0  1  0.995  0.009  0.250  1.0
  Cs  Cs1  1  0.495  0.491  0.250  1.0
  Cs  Cs2  1  0.005  0.991  0.750  1.0
  Cs  Cs3  1  0.505  0.509  0.750  1.0
  Sn  Sn4  1  0.500  0.000  0.000  1.0
  Sn  Sn5  1  0.000  0.500  0.500  1.0
  Sn  Sn6  1  0.000  0.500  0.000  1.0
  Sn  Sn7  1  0.500  0.000  0.500  1.0
  I  I8  1  0.702  0.703  0.008  1.0
  I  I9  1  0.298  0.297  0.508  1.0
  I  I10  1  0.702  0.703  0.492  1.0
  I  I11  1  0.298  0.297  0.992  1.0
  I  I12  1  0.500  0.980  0.750  1.0
  I  I13  1  0.202  0.797  0.492  1.0
  I  I14  1  1.000  0.480  0.250  1.0
  I  I15  1  0.798  0.203  0.508  1.0
  I  I16  1  0.798  0.203  0.992  1.0
  I  I17  1  0.500  0.020  0.250  1.0
  I  I18  1  0.000  0.520  0.750  1.0
  I  I19  1  0.202  0.797  0.008  1.0
[/CIF]
.
The structure described by CsSnI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent I(2) and four equivalent I(1) atoms. 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 6-22°. There are two inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Cs(1) and two equivalent Sn(1) atoms to form distorted ICs2Sn2 trigonal pyramids that share corners with four equivalent I(2)Cs3Sn2 square pyramids, corners with ten equivalent I(1)Cs2Sn2 trigonal pyramids, edges with three equivalent I(2)Cs3Sn2 square pyramids, and  an edgeedge with one I(1)Cs2Sn2 trigonal pyramid. In the second I site, I(2) is bonded to three equivalent Cs(1) and two equivalent Sn(1) atoms to form distorted ICs3Sn2 square pyramids that share corners with four equivalent I(2)Cs3Sn2 square pyramids, corners with eight equivalent I(1)Cs2Sn2 trigonal pyramids, edges with two equivalent I(2)Cs3Sn2 square pyramids, and edges with six equivalent I(1)Cs2Sn2 trigonal pyramids. is represented by the CIF file [CIF]
data_CsSnI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.678
_cell_length_b   8.730
_cell_length_c   12.624
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   956.319
_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
  Cs  Cs0  1  0.995  0.009  0.250  1.0
  Cs  Cs1  1  0.495  0.491  0.250  1.0
  Cs  Cs2  1  0.005  0.991  0.750  1.0
  Cs  Cs3  1  0.505  0.509  0.750  1.0
  Sn  Sn4  1  0.500  0.000  0.000  1.0
  Sn  Sn5  1  0.000  0.500  0.500  1.0
  Sn  Sn6  1  0.000  0.500  0.000  1.0
  Sn  Sn7  1  0.500  0.000  0.500  1.0
  I  I8  1  0.702  0.703  0.008  1.0
  I  I9  1  0.298  0.297  0.508  1.0
  I  I10  1  0.702  0.703  0.492  1.0
  I  I11  1  0.298  0.297  0.992  1.0
  I  I12  1  0.500  0.980  0.750  1.0
  I  I13  1  0.202  0.797  0.492  1.0
  I  I14  1  1.000  0.480  0.250  1.0
  I  I15  1  0.798  0.203  0.508  1.0
  I  I16  1  0.798  0.203  0.992  1.0
  I  I17  1  0.500  0.020  0.250  1.0
  I  I18  1  0.000  0.520  0.750  1.0
  I  I19  1  0.202  0.797  0.008  1.0
[/CIF]
.