The material structure described by CsSnCl3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent Cl(1), three equivalent Cl(2), and three equivalent Cl(3) atoms. Sn(1) is bonded in a distorted T-shaped geometry to one Cl(1), one Cl(2), and one Cl(3) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 1-coordinate geometry to three equivalent Cs(1) and one Sn(1) atom. In the second Cl site, Cl(2) is bonded to three equivalent Cs(1) and one Sn(1) atom to form a mixture of distorted corner and edge-sharing ClCs3Sn tetrahedra. In the third Cl site, Cl(3) is bonded in a 1-coordinate geometry to three equivalent Cs(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSnCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.800
_cell_length_b   7.490
_cell_length_c   16.317
_cell_angle_alpha   90.000
_cell_angle_beta   93.182
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   707.755
_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  0.748  0.002  0.347  1.0
  Cs  Cs1  1  0.752  0.502  0.153  1.0
  Cs  Cs2  1  0.252  0.998  0.653  1.0
  Cs  Cs3  1  0.248  0.498  0.847  1.0
  Sn  Sn4  1  0.245  0.969  0.110  1.0
  Sn  Sn5  1  0.255  0.469  0.390  1.0
  Sn  Sn6  1  0.755  0.031  0.890  1.0
  Sn  Sn7  1  0.745  0.531  0.610  1.0
  Cl  Cl8  1  0.690  0.973  0.126  1.0
  Cl  Cl9  1  0.810  0.473  0.374  1.0
  Cl  Cl10  1  0.310  0.027  0.874  1.0
  Cl  Cl11  1  0.190  0.527  0.626  1.0
  Cl  Cl12  1  0.238  0.665  0.044  1.0
  Cl  Cl13  1  0.262  0.165  0.456  1.0
  Cl  Cl14  1  0.762  0.335  0.956  1.0
  Cl  Cl15  1  0.738  0.835  0.544  1.0
  Cl  Cl16  1  0.731  0.687  0.748  1.0
  Cl  Cl17  1  0.769  0.187  0.752  1.0
  Cl  Cl18  1  0.269  0.313  0.252  1.0
  Cl  Cl19  1  0.231  0.813  0.248  1.0
[/CIF]
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The material structure described by CsSnCl3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent Cl(1), three equivalent Cl(2), and three equivalent Cl(3) atoms. Sn(1) is bonded in a distorted T-shaped geometry to one Cl(1), one Cl(2), and one Cl(3) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 1-coordinate geometry to three equivalent Cs(1) and one Sn(1) atom. In the second Cl site, Cl(2) is bonded to three equivalent Cs(1) and one Sn(1) atom to form a mixture of distorted corner and edge-sharing ClCs3Sn tetrahedra. In the third Cl site, Cl(3) is bonded in a 1-coordinate geometry to three equivalent Cs(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSnCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.800
_cell_length_b   7.490
_cell_length_c   16.317
_cell_angle_alpha   90.000
_cell_angle_beta   93.182
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   707.755
_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  0.748  0.002  0.347  1.0
  Cs  Cs1  1  0.752  0.502  0.153  1.0
  Cs  Cs2  1  0.252  0.998  0.653  1.0
  Cs  Cs3  1  0.248  0.498  0.847  1.0
  Sn  Sn4  1  0.245  0.969  0.110  1.0
  Sn  Sn5  1  0.255  0.469  0.390  1.0
  Sn  Sn6  1  0.755  0.031  0.890  1.0
  Sn  Sn7  1  0.745  0.531  0.610  1.0
  Cl  Cl8  1  0.690  0.973  0.126  1.0
  Cl  Cl9  1  0.810  0.473  0.374  1.0
  Cl  Cl10  1  0.310  0.027  0.874  1.0
  Cl  Cl11  1  0.190  0.527  0.626  1.0
  Cl  Cl12  1  0.238  0.665  0.044  1.0
  Cl  Cl13  1  0.262  0.165  0.456  1.0
  Cl  Cl14  1  0.762  0.335  0.956  1.0
  Cl  Cl15  1  0.738  0.835  0.544  1.0
  Cl  Cl16  1  0.731  0.687  0.748  1.0
  Cl  Cl17  1  0.769  0.187  0.752  1.0
  Cl  Cl18  1  0.269  0.313  0.252  1.0
  Cl  Cl19  1  0.231  0.813  0.248  1.0
[/CIF]
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