The compound described by Sn3IF5 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one I(1), one F(1), one F(3), and one F(5) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one I(1), one F(1), one F(2), and one F(5) atom. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to one I(1), one F(2), one F(3), and two equivalent F(4) atoms. I(1) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(2), and one Sn(3) atom. There are five inequivalent F sites. In the first F site, F(5) is bonded in a bent 150 degrees geometry to one Sn(1) and one Sn(2) atom. In the second F site, F(1) is bonded in a bent 120 degrees geometry to one Sn(1) and one Sn(2) atom. In the third F site, F(2) is bonded in a bent 120 degrees geometry to one Sn(2) and one Sn(3) atom. In the fourth F site, F(3) is bonded in a bent 120 degrees geometry to one Sn(1) and one Sn(3) atom. In the fifth F site, F(4) is bonded in a 2-coordinate geometry to two equivalent Sn(3) atoms. is represented by the CIF card [CIF]
data_Sn3IF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.996
_cell_length_b   4.300
_cell_length_c   13.815
_cell_angle_alpha   71.118
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   730.576
_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  0.652  0.201  0.870  1.0
  Sn  Sn1  1  0.348  0.799  0.130  1.0
  Sn  Sn2  1  0.152  0.799  0.630  1.0
  Sn  Sn3  1  0.848  0.201  0.370  1.0
  Sn  Sn4  1  0.377  0.769  0.851  1.0
  Sn  Sn5  1  0.623  0.231  0.149  1.0
  Sn  Sn6  1  0.877  0.231  0.649  1.0
  Sn  Sn7  1  0.123  0.769  0.351  1.0
  Sn  Sn8  1  0.108  0.162  0.894  1.0
  Sn  Sn9  1  0.892  0.838  0.106  1.0
  Sn  Sn10  1  0.608  0.838  0.606  1.0
  Sn  Sn11  1  0.392  0.162  0.394  1.0
  I  I12  1  0.378  0.388  0.623  1.0
  I  I13  1  0.622  0.612  0.377  1.0
  I  I14  1  0.878  0.612  0.877  1.0
  I  I15  1  0.122  0.388  0.123  1.0
  F  F16  1  0.115  0.559  0.517  1.0
  F  F17  1  0.885  0.441  0.483  1.0
  F  F18  1  0.615  0.441  0.983  1.0
  F  F19  1  0.385  0.559  0.017  1.0
  F  F20  1  0.277  0.102  0.898  1.0
  F  F21  1  0.723  0.898  0.102  1.0
  F  F22  1  0.777  0.898  0.602  1.0
  F  F23  1  0.223  0.102  0.398  1.0
  F  F24  1  0.101  0.312  0.725  1.0
  F  F25  1  0.899  0.688  0.275  1.0
  F  F26  1  0.601  0.688  0.775  1.0
  F  F27  1  0.399  0.312  0.225  1.0
  F  F28  1  0.163  0.667  0.838  1.0
  F  F29  1  0.837  0.333  0.162  1.0
  F  F30  1  0.663  0.333  0.662  1.0
  F  F31  1  0.337  0.667  0.338  1.0
  F  F32  1  0.488  0.111  0.880  1.0
  F  F33  1  0.512  0.889  0.120  1.0
  F  F34  1  0.988  0.889  0.620  1.0
  F  F35  1  0.012  0.111  0.380  1.0
[/CIF]
.
The compound described by Sn3IF5 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one I(1), one F(1), one F(3), and one F(5) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one I(1), one F(1), one F(2), and one F(5) atom. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to one I(1), one F(2), one F(3), and two equivalent F(4) atoms. I(1) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(2), and one Sn(3) atom. There are five inequivalent F sites. In the first F site, F(5) is bonded in a bent 150 degrees geometry to one Sn(1) and one Sn(2) atom. In the second F site, F(1) is bonded in a bent 120 degrees geometry to one Sn(1) and one Sn(2) atom. In the third F site, F(2) is bonded in a bent 120 degrees geometry to one Sn(2) and one Sn(3) atom. In the fourth F site, F(3) is bonded in a bent 120 degrees geometry to one Sn(1) and one Sn(3) atom. In the fifth F site, F(4) is bonded in a 2-coordinate geometry to two equivalent Sn(3) atoms. is represented by the CIF card [CIF]
data_Sn3IF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.996
_cell_length_b   4.300
_cell_length_c   13.815
_cell_angle_alpha   71.118
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   730.576
_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  0.652  0.201  0.870  1.0
  Sn  Sn1  1  0.348  0.799  0.130  1.0
  Sn  Sn2  1  0.152  0.799  0.630  1.0
  Sn  Sn3  1  0.848  0.201  0.370  1.0
  Sn  Sn4  1  0.377  0.769  0.851  1.0
  Sn  Sn5  1  0.623  0.231  0.149  1.0
  Sn  Sn6  1  0.877  0.231  0.649  1.0
  Sn  Sn7  1  0.123  0.769  0.351  1.0
  Sn  Sn8  1  0.108  0.162  0.894  1.0
  Sn  Sn9  1  0.892  0.838  0.106  1.0
  Sn  Sn10  1  0.608  0.838  0.606  1.0
  Sn  Sn11  1  0.392  0.162  0.394  1.0
  I  I12  1  0.378  0.388  0.623  1.0
  I  I13  1  0.622  0.612  0.377  1.0
  I  I14  1  0.878  0.612  0.877  1.0
  I  I15  1  0.122  0.388  0.123  1.0
  F  F16  1  0.115  0.559  0.517  1.0
  F  F17  1  0.885  0.441  0.483  1.0
  F  F18  1  0.615  0.441  0.983  1.0
  F  F19  1  0.385  0.559  0.017  1.0
  F  F20  1  0.277  0.102  0.898  1.0
  F  F21  1  0.723  0.898  0.102  1.0
  F  F22  1  0.777  0.898  0.602  1.0
  F  F23  1  0.223  0.102  0.398  1.0
  F  F24  1  0.101  0.312  0.725  1.0
  F  F25  1  0.899  0.688  0.275  1.0
  F  F26  1  0.601  0.688  0.775  1.0
  F  F27  1  0.399  0.312  0.225  1.0
  F  F28  1  0.163  0.667  0.838  1.0
  F  F29  1  0.837  0.333  0.162  1.0
  F  F30  1  0.663  0.333  0.662  1.0
  F  F31  1  0.337  0.667  0.338  1.0
  F  F32  1  0.488  0.111  0.880  1.0
  F  F33  1  0.512  0.889  0.120  1.0
  F  F34  1  0.988  0.889  0.620  1.0
  F  F35  1  0.012  0.111  0.380  1.0
[/CIF]
.