The crystal structure described by KSn2I5 crystallizes in the tetragonal I4/mcm space group. K(1) is bonded in a 10-coordinate geometry to two equivalent I(1) and eight equivalent I(2) atoms. Sn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent I(1) and two equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to two equivalent K(1) and four equivalent Sn(1) atoms to form corner-sharing IK2Sn4 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_KSn2I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.247
_cell_length_b   10.247
_cell_length_c   10.247
_cell_angle_alpha   127.837
_cell_angle_beta   127.837
_cell_angle_gamma   76.890
_symmetry_Int_Tables_number   1
_cell_volume   651.593
_cell_formula_units_Z   2
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
  K  K0  1  0.250  0.250  0.000  1.0
  K  K1  1  0.750  0.750  0.000  1.0
  Sn  Sn2  1  0.678  0.178  0.856  1.0
  Sn  Sn3  1  0.178  0.322  0.500  1.0
  Sn  Sn4  1  0.822  0.678  0.500  1.0
  Sn  Sn5  1  0.322  0.822  0.144  1.0
  I  I6  1  0.000  0.000  0.000  1.0
  I  I7  1  0.500  0.500  0.000  1.0
  I  I8  1  0.023  0.523  0.817  1.0
  I  I9  1  0.523  0.706  0.500  1.0
  I  I10  1  0.206  0.023  0.500  1.0
  I  I11  1  0.477  0.294  0.500  1.0
  I  I12  1  0.794  0.977  0.500  1.0
  I  I13  1  0.294  0.794  0.817  1.0
  I  I14  1  0.977  0.477  0.183  1.0
  I  I15  1  0.706  0.206  0.183  1.0
[/CIF]
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The crystal structure described by KSn2I5 crystallizes in the tetragonal I4/mcm space group. K(1) is bonded in a 10-coordinate geometry to two equivalent I(1) and eight equivalent I(2) atoms. Sn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent I(1) and two equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to two equivalent K(1) and four equivalent Sn(1) atoms to form corner-sharing IK2Sn4 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_KSn2I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.247
_cell_length_b   10.247
_cell_length_c   10.247
_cell_angle_alpha   127.837
_cell_angle_beta   127.837
_cell_angle_gamma   76.890
_symmetry_Int_Tables_number   1
_cell_volume   651.593
_cell_formula_units_Z   2
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
  K  K0  1  0.250  0.250  0.000  1.0
  K  K1  1  0.750  0.750  0.000  1.0
  Sn  Sn2  1  0.678  0.178  0.856  1.0
  Sn  Sn3  1  0.178  0.322  0.500  1.0
  Sn  Sn4  1  0.822  0.678  0.500  1.0
  Sn  Sn5  1  0.322  0.822  0.144  1.0
  I  I6  1  0.000  0.000  0.000  1.0
  I  I7  1  0.500  0.500  0.000  1.0
  I  I8  1  0.023  0.523  0.817  1.0
  I  I9  1  0.523  0.706  0.500  1.0
  I  I10  1  0.206  0.023  0.500  1.0
  I  I11  1  0.477  0.294  0.500  1.0
  I  I12  1  0.794  0.977  0.500  1.0
  I  I13  1  0.294  0.794  0.817  1.0
  I  I14  1  0.977  0.477  0.183  1.0
  I  I15  1  0.706  0.206  0.183  1.0
[/CIF]
.