The material described by (K2SnCl4)2H2 crystallizes in the orthorhombic Pnma space group. The structure consists of four 1333-74-0 atoms inside a K2SnCl4 framework. In the K2SnCl4 framework, there are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent Cl(1) and four equivalent Cl(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Cl(1), two equivalent Cl(2), and four equivalent Cl(3) atoms. Sn(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form edge-sharing SnCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one K(2), two equivalent K(1), and two equivalent Sn(1) atoms to form distorted ClK3Sn2 trigonal bipyramids that share corners with four equivalent Cl(3)K4Sn square pyramids, corners with four equivalent Cl(1)K3Sn2 trigonal bipyramids, and edges with six equivalent Cl(3)K4Sn square pyramids. In the second Cl site, Cl(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(2) and two equivalent Sn(1) atoms. In the third Cl site, Cl(3) is bonded to two equivalent K(1), two equivalent K(2), and one Sn(1) atom to form ClK4Sn square pyramids that share corners with five equivalent Cl(3)K4Sn square pyramids, corners with two equivalent Cl(1)K3Sn2 trigonal bipyramids, edges with four equivalent Cl(3)K4Sn square pyramids, and edges with three equivalent Cl(1)K3Sn2 trigonal bipyramids. is represented by the CIF file [CIF]
data_K2SnHCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.456
_cell_length_b   8.162
_cell_length_c   12.679
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   461.144
_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
  Cl  Cl0  1  0.500  0.723  0.044  1.0
  Cl  Cl1  1  0.500  0.277  0.956  1.0
  Cl  Cl2  1  0.500  0.223  0.456  1.0
  Cl  Cl3  1  0.500  0.777  0.544  1.0
  Cl  Cl4  1  0.000  0.389  0.211  1.0
  Cl  Cl5  1  1.000  0.611  0.789  1.0
  Cl  Cl6  1  1.000  0.889  0.289  1.0
  Cl  Cl7  1  0.000  0.111  0.711  1.0
  H  H8  1  0.000  0.000  0.000  1.0
  H  H9  1  0.000  0.500  0.500  1.0
  K  K10  1  0.500  0.617  0.308  1.0
  K  K11  1  0.500  0.383  0.692  1.0
  K  K12  1  0.500  0.117  0.192  1.0
  K  K13  1  0.500  0.883  0.808  1.0
  Sn  Sn14  1  0.000  0.500  0.000  1.0
  Sn  Sn15  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by (K2SnCl4)2H2 crystallizes in the orthorhombic Pnma space group. The structure consists of four 1333-74-0 atoms inside a K2SnCl4 framework. In the K2SnCl4 framework, there are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent Cl(1) and four equivalent Cl(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Cl(1), two equivalent Cl(2), and four equivalent Cl(3) atoms. Sn(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form edge-sharing SnCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one K(2), two equivalent K(1), and two equivalent Sn(1) atoms to form distorted ClK3Sn2 trigonal bipyramids that share corners with four equivalent Cl(3)K4Sn square pyramids, corners with four equivalent Cl(1)K3Sn2 trigonal bipyramids, and edges with six equivalent Cl(3)K4Sn square pyramids. In the second Cl site, Cl(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(2) and two equivalent Sn(1) atoms. In the third Cl site, Cl(3) is bonded to two equivalent K(1), two equivalent K(2), and one Sn(1) atom to form ClK4Sn square pyramids that share corners with five equivalent Cl(3)K4Sn square pyramids, corners with two equivalent Cl(1)K3Sn2 trigonal bipyramids, edges with four equivalent Cl(3)K4Sn square pyramids, and edges with three equivalent Cl(1)K3Sn2 trigonal bipyramids. is represented by the CIF file [CIF]
data_K2SnHCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.456
_cell_length_b   8.162
_cell_length_c   12.679
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   461.144
_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
  Cl  Cl0  1  0.500  0.723  0.044  1.0
  Cl  Cl1  1  0.500  0.277  0.956  1.0
  Cl  Cl2  1  0.500  0.223  0.456  1.0
  Cl  Cl3  1  0.500  0.777  0.544  1.0
  Cl  Cl4  1  0.000  0.389  0.211  1.0
  Cl  Cl5  1  1.000  0.611  0.789  1.0
  Cl  Cl6  1  1.000  0.889  0.289  1.0
  Cl  Cl7  1  0.000  0.111  0.711  1.0
  H  H8  1  0.000  0.000  0.000  1.0
  H  H9  1  0.000  0.500  0.500  1.0
  K  K10  1  0.500  0.617  0.308  1.0
  K  K11  1  0.500  0.383  0.692  1.0
  K  K12  1  0.500  0.117  0.192  1.0
  K  K13  1  0.500  0.883  0.808  1.0
  Sn  Sn14  1  0.000  0.500  0.000  1.0
  Sn  Sn15  1  0.000  0.000  0.500  1.0
[/CIF]
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