The crystal structure described by CsSn2Cl5 crystallizes in the tetragonal I4/mcm space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Cl(2) and eight equivalent Cl(1) atoms. Sn(1) is bonded in a 4-coordinate geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded to two equivalent Cs(1) and four equivalent Sn(1) atoms to form corner-sharing ClCs2Sn4 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. In the second Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSn2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.186
_cell_length_b   8.186
_cell_length_c   9.570
_cell_angle_alpha   115.317
_cell_angle_beta   115.320
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.760
_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
  Cs  Cs0  1  0.250  0.250  0.500  1.0
  Cs  Cs1  1  0.750  0.750  0.500  1.0
  Sn  Sn2  1  0.683  0.183  0.000  1.0
  Sn  Sn3  1  0.817  0.683  0.000  1.0
  Sn  Sn4  1  0.183  0.317  1.000  1.0
  Sn  Sn5  1  0.317  0.817  1.000  1.0
  Cl  Cl6  1  0.957  0.457  0.246  1.0
  Cl  Cl7  1  0.711  0.211  0.754  1.0
  Cl  Cl8  1  0.043  0.543  0.754  1.0
  Cl  Cl9  1  0.211  0.043  0.754  1.0
  Cl  Cl10  1  0.543  0.711  0.754  1.0
  Cl  Cl11  1  0.789  0.957  0.246  1.0
  Cl  Cl12  1  0.500  0.500  0.000  1.0
  Cl  Cl13  1  0.000  0.000  0.000  1.0
  Cl  Cl14  1  0.289  0.789  0.246  1.0
  Cl  Cl15  1  0.457  0.289  0.246  1.0
[/CIF]
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The crystal structure described by CsSn2Cl5 crystallizes in the tetragonal I4/mcm space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Cl(2) and eight equivalent Cl(1) atoms. Sn(1) is bonded in a 4-coordinate geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded to two equivalent Cs(1) and four equivalent Sn(1) atoms to form corner-sharing ClCs2Sn4 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. In the second Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSn2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.186
_cell_length_b   8.186
_cell_length_c   9.570
_cell_angle_alpha   115.317
_cell_angle_beta   115.320
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.760
_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
  Cs  Cs0  1  0.250  0.250  0.500  1.0
  Cs  Cs1  1  0.750  0.750  0.500  1.0
  Sn  Sn2  1  0.683  0.183  0.000  1.0
  Sn  Sn3  1  0.817  0.683  0.000  1.0
  Sn  Sn4  1  0.183  0.317  1.000  1.0
  Sn  Sn5  1  0.317  0.817  1.000  1.0
  Cl  Cl6  1  0.957  0.457  0.246  1.0
  Cl  Cl7  1  0.711  0.211  0.754  1.0
  Cl  Cl8  1  0.043  0.543  0.754  1.0
  Cl  Cl9  1  0.211  0.043  0.754  1.0
  Cl  Cl10  1  0.543  0.711  0.754  1.0
  Cl  Cl11  1  0.789  0.957  0.246  1.0
  Cl  Cl12  1  0.500  0.500  0.000  1.0
  Cl  Cl13  1  0.000  0.000  0.000  1.0
  Cl  Cl14  1  0.289  0.789  0.246  1.0
  Cl  Cl15  1  0.457  0.289  0.246  1.0
[/CIF]
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