The compound described by In3SnI5 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to one In(2), one I(1), one I(3), one I(5), and two equivalent I(2) atoms. In the second In site, In(2) is bonded in a 4-coordinate geometry to one In(1), one I(4), one I(5), and two equivalent I(2) atoms. In the third In site, In(3) is bonded in a 5-coordinate geometry to one I(1), one I(4), one I(5), and two equivalent I(3) atoms. Sn(1) is bonded to one I(2), one I(3), one I(4), one I(5), and two equivalent I(1) atoms to form distorted edge-sharing SnI6 octahedra. There are five inequivalent I sites. In the first I site, I(1) is bonded in a distorted see-saw-like geometry to one In(1), one In(3), and two equivalent Sn(1) atoms. In the second I site, I(2) is bonded to two equivalent In(1), two equivalent In(2), and one Sn(1) atom to form distorted corner-sharing IIn4Sn square pyramids. In the third I site, I(3) is bonded in a 3-coordinate geometry to one In(1), two equivalent In(3), and one Sn(1) atom. In the fourth I site, I(4) is bonded in an L-shaped geometry to one In(2), one In(3), and one Sn(1) atom. In the fifth I site, I(5) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(3), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_In3SnI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.003
_cell_length_b   8.964
_cell_length_c   17.761
_cell_angle_alpha   80.658
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1414.311
_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
  In  In0  1  0.823  0.619  0.252  1.0
  In  In1  1  0.677  0.619  0.752  1.0
  In  In2  1  0.604  0.109  0.249  1.0
  In  In3  1  0.104  0.891  0.251  1.0
  In  In4  1  0.323  0.381  0.248  1.0
  In  In5  1  0.546  0.224  0.976  1.0
  In  In6  1  0.454  0.776  0.024  1.0
  In  In7  1  0.896  0.109  0.749  1.0
  In  In8  1  0.046  0.776  0.524  1.0
  In  In9  1  0.396  0.891  0.751  1.0
  In  In10  1  0.177  0.381  0.748  1.0
  In  In11  1  0.954  0.224  0.476  1.0
  Sn  Sn12  1  0.536  0.296  0.587  1.0
  Sn  Sn13  1  0.036  0.704  0.913  1.0
  Sn  Sn14  1  0.464  0.704  0.413  1.0
  Sn  Sn15  1  0.964  0.296  0.087  1.0
  I  I16  1  0.375  0.614  0.605  1.0
  I  I17  1  0.125  0.614  0.105  1.0
  I  I18  1  0.538  0.252  0.760  1.0
  I  I19  1  0.647  0.456  0.102  1.0
  I  I20  1  0.211  0.010  0.893  1.0
  I  I21  1  0.276  0.130  0.113  1.0
  I  I22  1  0.789  0.990  0.107  1.0
  I  I23  1  0.289  0.010  0.393  1.0
  I  I24  1  0.962  0.252  0.260  1.0
  I  I25  1  0.776  0.870  0.387  1.0
  I  I26  1  0.875  0.386  0.895  1.0
  I  I27  1  0.353  0.544  0.898  1.0
  I  I28  1  0.724  0.870  0.887  1.0
  I  I29  1  0.711  0.990  0.607  1.0
  I  I30  1  0.462  0.748  0.240  1.0
  I  I31  1  0.038  0.748  0.740  1.0
  I  I32  1  0.625  0.386  0.395  1.0
  I  I33  1  0.224  0.130  0.613  1.0
  I  I34  1  0.147  0.544  0.398  1.0
  I  I35  1  0.853  0.456  0.602  1.0
[/CIF]
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The compound described by In3SnI5 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to one In(2), one I(1), one I(3), one I(5), and two equivalent I(2) atoms. In the second In site, In(2) is bonded in a 4-coordinate geometry to one In(1), one I(4), one I(5), and two equivalent I(2) atoms. In the third In site, In(3) is bonded in a 5-coordinate geometry to one I(1), one I(4), one I(5), and two equivalent I(3) atoms. Sn(1) is bonded to one I(2), one I(3), one I(4), one I(5), and two equivalent I(1) atoms to form distorted edge-sharing SnI6 octahedra. There are five inequivalent I sites. In the first I site, I(1) is bonded in a distorted see-saw-like geometry to one In(1), one In(3), and two equivalent Sn(1) atoms. In the second I site, I(2) is bonded to two equivalent In(1), two equivalent In(2), and one Sn(1) atom to form distorted corner-sharing IIn4Sn square pyramids. In the third I site, I(3) is bonded in a 3-coordinate geometry to one In(1), two equivalent In(3), and one Sn(1) atom. In the fourth I site, I(4) is bonded in an L-shaped geometry to one In(2), one In(3), and one Sn(1) atom. In the fifth I site, I(5) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(3), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_In3SnI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.003
_cell_length_b   8.964
_cell_length_c   17.761
_cell_angle_alpha   80.658
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1414.311
_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
  In  In0  1  0.823  0.619  0.252  1.0
  In  In1  1  0.677  0.619  0.752  1.0
  In  In2  1  0.604  0.109  0.249  1.0
  In  In3  1  0.104  0.891  0.251  1.0
  In  In4  1  0.323  0.381  0.248  1.0
  In  In5  1  0.546  0.224  0.976  1.0
  In  In6  1  0.454  0.776  0.024  1.0
  In  In7  1  0.896  0.109  0.749  1.0
  In  In8  1  0.046  0.776  0.524  1.0
  In  In9  1  0.396  0.891  0.751  1.0
  In  In10  1  0.177  0.381  0.748  1.0
  In  In11  1  0.954  0.224  0.476  1.0
  Sn  Sn12  1  0.536  0.296  0.587  1.0
  Sn  Sn13  1  0.036  0.704  0.913  1.0
  Sn  Sn14  1  0.464  0.704  0.413  1.0
  Sn  Sn15  1  0.964  0.296  0.087  1.0
  I  I16  1  0.375  0.614  0.605  1.0
  I  I17  1  0.125  0.614  0.105  1.0
  I  I18  1  0.538  0.252  0.760  1.0
  I  I19  1  0.647  0.456  0.102  1.0
  I  I20  1  0.211  0.010  0.893  1.0
  I  I21  1  0.276  0.130  0.113  1.0
  I  I22  1  0.789  0.990  0.107  1.0
  I  I23  1  0.289  0.010  0.393  1.0
  I  I24  1  0.962  0.252  0.260  1.0
  I  I25  1  0.776  0.870  0.387  1.0
  I  I26  1  0.875  0.386  0.895  1.0
  I  I27  1  0.353  0.544  0.898  1.0
  I  I28  1  0.724  0.870  0.887  1.0
  I  I29  1  0.711  0.990  0.607  1.0
  I  I30  1  0.462  0.748  0.240  1.0
  I  I31  1  0.038  0.748  0.740  1.0
  I  I32  1  0.625  0.386  0.395  1.0
  I  I33  1  0.224  0.130  0.613  1.0
  I  I34  1  0.147  0.544  0.398  1.0
  I  I35  1  0.853  0.456  0.602  1.0
[/CIF]
.