The material structure described by K2HgH2OCl4 crystallizes in the orthorhombic Pbam space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to three equivalent Cl(2) and four equivalent Cl(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent Cl(1), and four equivalent Cl(3) atoms. Hg(1) is bonded in a rectangular see-saw-like geometry to two equivalent Cl(1) and two equivalent Cl(3) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like geometry to two equivalent K(2) and two equivalent H(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent K(2) and two equivalent Hg(1) atoms to form distorted ClK3Hg2 trigonal bipyramids that share corners with four equivalent Cl(1)K3Hg2 trigonal bipyramids, corners with four equivalent Cl(3)K4Hg trigonal bipyramids, edges with two equivalent Cl(1)K3Hg2 trigonal bipyramids, and edges with six equivalent Cl(3)K4Hg trigonal bipyramids. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to three equivalent K(1) atoms. In the third Cl site, Cl(3) is bonded to two equivalent K(1), two equivalent K(2), and one Hg(1) atom to form distorted ClK4Hg trigonal bipyramids that share corners with two equivalent Cl(1)K3Hg2 trigonal bipyramids, corners with five equivalent Cl(3)K4Hg trigonal bipyramids, edges with three equivalent Cl(1)K3Hg2 trigonal bipyramids, and edges with four equivalent Cl(3)K4Hg trigonal bipyramids. is represented by the CIF card [CIF]
data_K2HgH2Cl4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.482
_cell_length_b   9.041
_cell_length_c   11.927
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   914.627
_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
  K  K0  1  0.607  0.500  0.197  1.0
  K  K1  1  0.107  0.500  0.303  1.0
  K  K2  1  0.393  0.500  0.803  1.0
  K  K3  1  0.893  0.500  0.697  1.0
  K  K4  1  0.580  0.000  0.155  1.0
  K  K5  1  0.080  0.000  0.345  1.0
  K  K6  1  0.420  0.000  0.845  1.0
  K  K7  1  0.920  0.000  0.655  1.0
  Hg  Hg8  1  0.500  0.225  0.500  1.0
  Hg  Hg9  1  0.000  0.775  0.000  1.0
  Hg  Hg10  1  0.500  0.775  0.500  1.0
  Hg  Hg11  1  0.000  0.225  0.000  1.0
  H  H12  1  0.586  0.300  0.977  1.0
  H  H13  1  0.086  0.700  0.523  1.0
  H  H14  1  0.414  0.300  0.023  1.0
  H  H15  1  0.914  0.700  0.477  1.0
  H  H16  1  0.414  0.700  0.023  1.0
  H  H17  1  0.914  0.300  0.477  1.0
  H  H18  1  0.586  0.700  0.977  1.0
  H  H19  1  0.086  0.300  0.523  1.0
  Cl  Cl20  1  0.798  0.000  0.924  1.0
  Cl  Cl21  1  0.298  0.000  0.576  1.0
  Cl  Cl22  1  0.202  0.000  0.076  1.0
  Cl  Cl23  1  0.702  0.000  0.424  1.0
  Cl  Cl24  1  0.738  0.500  0.940  1.0
  Cl  Cl25  1  0.238  0.500  0.560  1.0
  Cl  Cl26  1  0.262  0.500  0.060  1.0
  Cl  Cl27  1  0.762  0.500  0.440  1.0
  Cl  Cl28  1  0.115  0.254  0.814  1.0
  Cl  Cl29  1  0.615  0.746  0.686  1.0
  Cl  Cl30  1  0.885  0.254  0.186  1.0
  Cl  Cl31  1  0.385  0.746  0.314  1.0
  Cl  Cl32  1  0.885  0.746  0.186  1.0
  Cl  Cl33  1  0.385  0.254  0.314  1.0
  Cl  Cl34  1  0.115  0.746  0.814  1.0
  Cl  Cl35  1  0.615  0.254  0.686  1.0
  O  O36  1  0.500  0.233  0.000  1.0
  O  O37  1  0.000  0.767  0.500  1.0
  O  O38  1  0.500  0.767  0.000  1.0
  O  O39  1  0.000  0.233  0.500  1.0
[/CIF]
.
The material structure described by K2HgH2OCl4 crystallizes in the orthorhombic Pbam space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to three equivalent Cl(2) and four equivalent Cl(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent Cl(1), and four equivalent Cl(3) atoms. Hg(1) is bonded in a rectangular see-saw-like geometry to two equivalent Cl(1) and two equivalent Cl(3) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like geometry to two equivalent K(2) and two equivalent H(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent K(2) and two equivalent Hg(1) atoms to form distorted ClK3Hg2 trigonal bipyramids that share corners with four equivalent Cl(1)K3Hg2 trigonal bipyramids, corners with four equivalent Cl(3)K4Hg trigonal bipyramids, edges with two equivalent Cl(1)K3Hg2 trigonal bipyramids, and edges with six equivalent Cl(3)K4Hg trigonal bipyramids. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to three equivalent K(1) atoms. In the third Cl site, Cl(3) is bonded to two equivalent K(1), two equivalent K(2), and one Hg(1) atom to form distorted ClK4Hg trigonal bipyramids that share corners with two equivalent Cl(1)K3Hg2 trigonal bipyramids, corners with five equivalent Cl(3)K4Hg trigonal bipyramids, edges with three equivalent Cl(1)K3Hg2 trigonal bipyramids, and edges with four equivalent Cl(3)K4Hg trigonal bipyramids. is represented by the CIF card [CIF]
data_K2HgH2Cl4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.482
_cell_length_b   9.041
_cell_length_c   11.927
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   914.627
_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
  K  K0  1  0.607  0.500  0.197  1.0
  K  K1  1  0.107  0.500  0.303  1.0
  K  K2  1  0.393  0.500  0.803  1.0
  K  K3  1  0.893  0.500  0.697  1.0
  K  K4  1  0.580  0.000  0.155  1.0
  K  K5  1  0.080  0.000  0.345  1.0
  K  K6  1  0.420  0.000  0.845  1.0
  K  K7  1  0.920  0.000  0.655  1.0
  Hg  Hg8  1  0.500  0.225  0.500  1.0
  Hg  Hg9  1  0.000  0.775  0.000  1.0
  Hg  Hg10  1  0.500  0.775  0.500  1.0
  Hg  Hg11  1  0.000  0.225  0.000  1.0
  H  H12  1  0.586  0.300  0.977  1.0
  H  H13  1  0.086  0.700  0.523  1.0
  H  H14  1  0.414  0.300  0.023  1.0
  H  H15  1  0.914  0.700  0.477  1.0
  H  H16  1  0.414  0.700  0.023  1.0
  H  H17  1  0.914  0.300  0.477  1.0
  H  H18  1  0.586  0.700  0.977  1.0
  H  H19  1  0.086  0.300  0.523  1.0
  Cl  Cl20  1  0.798  0.000  0.924  1.0
  Cl  Cl21  1  0.298  0.000  0.576  1.0
  Cl  Cl22  1  0.202  0.000  0.076  1.0
  Cl  Cl23  1  0.702  0.000  0.424  1.0
  Cl  Cl24  1  0.738  0.500  0.940  1.0
  Cl  Cl25  1  0.238  0.500  0.560  1.0
  Cl  Cl26  1  0.262  0.500  0.060  1.0
  Cl  Cl27  1  0.762  0.500  0.440  1.0
  Cl  Cl28  1  0.115  0.254  0.814  1.0
  Cl  Cl29  1  0.615  0.746  0.686  1.0
  Cl  Cl30  1  0.885  0.254  0.186  1.0
  Cl  Cl31  1  0.385  0.746  0.314  1.0
  Cl  Cl32  1  0.885  0.746  0.186  1.0
  Cl  Cl33  1  0.385  0.254  0.314  1.0
  Cl  Cl34  1  0.115  0.746  0.814  1.0
  Cl  Cl35  1  0.615  0.254  0.686  1.0
  O  O36  1  0.500  0.233  0.000  1.0
  O  O37  1  0.000  0.767  0.500  1.0
  O  O38  1  0.500  0.767  0.000  1.0
  O  O39  1  0.000  0.233  0.500  1.0
[/CIF]
.