The crystal structure described by (K2HgCl4)2H2 crystallizes in the orthorhombic Pbam space group. The structure consists of two 1333-74-0 atoms inside a K2HgCl4 framework. In the K2HgCl4 framework, K(1) is bonded in a 7-coordinate geometry to three equivalent Cl(1) and four equivalent Cl(2) atoms. Hg(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form distorted edge-sharing HgCl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent K(1) and two equivalent Hg(1) atoms to form ClK3Hg2 trigonal bipyramids that share corners with four equivalent Cl(2)K4Hg trigonal bipyramids, corners with eight equivalent Cl(1)K3Hg2 trigonal bipyramids, edges with two equivalent Cl(1)K3Hg2 trigonal bipyramids, and edges with six equivalent Cl(2)K4Hg trigonal bipyramids. In the second Cl site, Cl(2) is bonded to four equivalent K(1) and one Hg(1) atom to form distorted ClK4Hg trigonal bipyramids that share corners with four equivalent Cl(1)K3Hg2 trigonal bipyramids, corners with five equivalent Cl(2)K4Hg trigonal bipyramids, edges with four equivalent Cl(2)K4Hg trigonal bipyramids, and edges with six equivalent Cl(1)K3Hg2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2HgHCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.563
_cell_length_b   7.862
_cell_length_c   12.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   430.738
_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
  K  K0  1  0.000  0.094  0.319  1.0
  K  K1  1  0.000  0.906  0.681  1.0
  K  K2  1  0.000  0.406  0.819  1.0
  K  K3  1  0.000  0.594  0.181  1.0
  Hg  Hg4  1  0.500  0.000  0.000  1.0
  Hg  Hg5  1  0.500  0.500  0.500  1.0
  H  H6  1  0.500  0.000  0.500  1.0
  H  H7  1  0.500  0.500  0.000  1.0
  Cl  Cl8  1  0.000  0.228  0.059  1.0
  Cl  Cl9  1  0.000  0.772  0.941  1.0
  Cl  Cl10  1  0.000  0.272  0.559  1.0
  Cl  Cl11  1  0.000  0.728  0.441  1.0
  Cl  Cl12  1  0.500  0.380  0.310  1.0
  Cl  Cl13  1  0.500  0.620  0.690  1.0
  Cl  Cl14  1  0.500  0.120  0.810  1.0
  Cl  Cl15  1  0.500  0.880  0.190  1.0
[/CIF]
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The crystal structure described by (K2HgCl4)2H2 crystallizes in the orthorhombic Pbam space group. The structure consists of two 1333-74-0 atoms inside a K2HgCl4 framework. In the K2HgCl4 framework, K(1) is bonded in a 7-coordinate geometry to three equivalent Cl(1) and four equivalent Cl(2) atoms. Hg(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form distorted edge-sharing HgCl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent K(1) and two equivalent Hg(1) atoms to form ClK3Hg2 trigonal bipyramids that share corners with four equivalent Cl(2)K4Hg trigonal bipyramids, corners with eight equivalent Cl(1)K3Hg2 trigonal bipyramids, edges with two equivalent Cl(1)K3Hg2 trigonal bipyramids, and edges with six equivalent Cl(2)K4Hg trigonal bipyramids. In the second Cl site, Cl(2) is bonded to four equivalent K(1) and one Hg(1) atom to form distorted ClK4Hg trigonal bipyramids that share corners with four equivalent Cl(1)K3Hg2 trigonal bipyramids, corners with five equivalent Cl(2)K4Hg trigonal bipyramids, edges with four equivalent Cl(2)K4Hg trigonal bipyramids, and edges with six equivalent Cl(1)K3Hg2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2HgHCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.563
_cell_length_b   7.862
_cell_length_c   12.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   430.738
_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
  K  K0  1  0.000  0.094  0.319  1.0
  K  K1  1  0.000  0.906  0.681  1.0
  K  K2  1  0.000  0.406  0.819  1.0
  K  K3  1  0.000  0.594  0.181  1.0
  Hg  Hg4  1  0.500  0.000  0.000  1.0
  Hg  Hg5  1  0.500  0.500  0.500  1.0
  H  H6  1  0.500  0.000  0.500  1.0
  H  H7  1  0.500  0.500  0.000  1.0
  Cl  Cl8  1  0.000  0.228  0.059  1.0
  Cl  Cl9  1  0.000  0.772  0.941  1.0
  Cl  Cl10  1  0.000  0.272  0.559  1.0
  Cl  Cl11  1  0.000  0.728  0.441  1.0
  Cl  Cl12  1  0.500  0.380  0.310  1.0
  Cl  Cl13  1  0.500  0.620  0.690  1.0
  Cl  Cl14  1  0.500  0.120  0.810  1.0
  Cl  Cl15  1  0.500  0.880  0.190  1.0
[/CIF]
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