The structure described by KPbH2OI3H2O crystallizes in the orthorhombic Pna2_1 space group. The structure consists of four water molecules inside a KPbH2OI3 framework. In the KPbH2OI3 framework, K(1) is bonded in a 2-coordinate geometry to two equivalent O(1), one I(1), one I(2), and four equivalent I(3) atoms. Pb(1) is bonded to one I(3), two equivalent I(2), and three equivalent I(1) atoms to form edge-sharing PbI6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted water-like geometry to two equivalent K(1), one H(1), and one H(2) atom. There are three inequivalent I sites. In the first I site, I(3) is bonded to four equivalent K(1) and one Pb(1) atom to form a mixture of distorted corner and edge-sharing IK4Pb square pyramids. In the second I site, I(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1) and three equivalent Pb(1) atoms. In the third I site, I(2) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_KH4PbI3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.629
_cell_length_b   10.393
_cell_length_c   22.910
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1102.158
_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  0.250  0.361  0.799  1.0
  K  K1  1  0.250  0.861  0.701  1.0
  K  K2  1  0.750  0.639  0.201  1.0
  K  K3  1  0.750  0.139  0.299  1.0
  H  H4  1  0.750  0.418  0.907  1.0
  H  H5  1  0.750  0.918  0.593  1.0
  H  H6  1  0.250  0.582  0.093  1.0
  H  H7  1  0.250  0.082  0.407  1.0
  H  H8  1  0.751  0.530  0.862  1.0
  H  H9  1  0.751  0.030  0.638  1.0
  H  H10  1  0.251  0.470  0.138  1.0
  H  H11  1  0.251  0.970  0.362  1.0
  H  H12  1  0.753  0.355  0.007  1.0
  H  H13  1  0.753  0.855  0.493  1.0
  H  H14  1  0.253  0.645  0.993  1.0
  H  H15  1  0.253  0.145  0.507  1.0
  H  H16  1  0.572  0.481  0.996  1.0
  H  H17  1  0.072  0.519  0.004  1.0
  H  H18  1  0.072  0.019  0.496  1.0
  H  H19  1  0.572  0.981  0.504  1.0
  Pb  Pb20  1  0.750  0.958  0.905  1.0
  Pb  Pb21  1  0.750  0.458  0.595  1.0
  Pb  Pb22  1  0.250  0.042  0.095  1.0
  Pb  Pb23  1  0.250  0.542  0.405  1.0
  I  I24  1  0.749  0.843  0.049  1.0
  I  I25  1  0.749  0.343  0.451  1.0
  I  I26  1  0.249  0.157  0.951  1.0
  I  I27  1  0.249  0.657  0.549  1.0
  I  I28  1  0.249  0.752  0.869  1.0
  I  I29  1  0.249  0.252  0.631  1.0
  I  I30  1  0.749  0.248  0.131  1.0
  I  I31  1  0.749  0.748  0.369  1.0
  I  I32  1  0.750  0.083  0.784  1.0
  I  I33  1  0.750  0.583  0.716  1.0
  I  I34  1  0.250  0.917  0.216  1.0
  I  I35  1  0.250  0.417  0.284  1.0
  O  O36  1  0.749  0.436  0.864  1.0
  O  O37  1  0.749  0.936  0.636  1.0
  O  O38  1  0.249  0.564  0.136  1.0
  O  O39  1  0.249  0.064  0.364  1.0
  O  O40  1  0.757  0.436  0.986  1.0
  O  O41  1  0.757  0.936  0.514  1.0
  O  O42  1  0.257  0.564  0.014  1.0
  O  O43  1  0.257  0.064  0.486  1.0
[/CIF]
.
The structure described by KPbH2OI3H2O crystallizes in the orthorhombic Pna2_1 space group. The structure consists of four water molecules inside a KPbH2OI3 framework. In the KPbH2OI3 framework, K(1) is bonded in a 2-coordinate geometry to two equivalent O(1), one I(1), one I(2), and four equivalent I(3) atoms. Pb(1) is bonded to one I(3), two equivalent I(2), and three equivalent I(1) atoms to form edge-sharing PbI6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted water-like geometry to two equivalent K(1), one H(1), and one H(2) atom. There are three inequivalent I sites. In the first I site, I(3) is bonded to four equivalent K(1) and one Pb(1) atom to form a mixture of distorted corner and edge-sharing IK4Pb square pyramids. In the second I site, I(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1) and three equivalent Pb(1) atoms. In the third I site, I(2) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_KH4PbI3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.629
_cell_length_b   10.393
_cell_length_c   22.910
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1102.158
_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  0.250  0.361  0.799  1.0
  K  K1  1  0.250  0.861  0.701  1.0
  K  K2  1  0.750  0.639  0.201  1.0
  K  K3  1  0.750  0.139  0.299  1.0
  H  H4  1  0.750  0.418  0.907  1.0
  H  H5  1  0.750  0.918  0.593  1.0
  H  H6  1  0.250  0.582  0.093  1.0
  H  H7  1  0.250  0.082  0.407  1.0
  H  H8  1  0.751  0.530  0.862  1.0
  H  H9  1  0.751  0.030  0.638  1.0
  H  H10  1  0.251  0.470  0.138  1.0
  H  H11  1  0.251  0.970  0.362  1.0
  H  H12  1  0.753  0.355  0.007  1.0
  H  H13  1  0.753  0.855  0.493  1.0
  H  H14  1  0.253  0.645  0.993  1.0
  H  H15  1  0.253  0.145  0.507  1.0
  H  H16  1  0.572  0.481  0.996  1.0
  H  H17  1  0.072  0.519  0.004  1.0
  H  H18  1  0.072  0.019  0.496  1.0
  H  H19  1  0.572  0.981  0.504  1.0
  Pb  Pb20  1  0.750  0.958  0.905  1.0
  Pb  Pb21  1  0.750  0.458  0.595  1.0
  Pb  Pb22  1  0.250  0.042  0.095  1.0
  Pb  Pb23  1  0.250  0.542  0.405  1.0
  I  I24  1  0.749  0.843  0.049  1.0
  I  I25  1  0.749  0.343  0.451  1.0
  I  I26  1  0.249  0.157  0.951  1.0
  I  I27  1  0.249  0.657  0.549  1.0
  I  I28  1  0.249  0.752  0.869  1.0
  I  I29  1  0.249  0.252  0.631  1.0
  I  I30  1  0.749  0.248  0.131  1.0
  I  I31  1  0.749  0.748  0.369  1.0
  I  I32  1  0.750  0.083  0.784  1.0
  I  I33  1  0.750  0.583  0.716  1.0
  I  I34  1  0.250  0.917  0.216  1.0
  I  I35  1  0.250  0.417  0.284  1.0
  O  O36  1  0.749  0.436  0.864  1.0
  O  O37  1  0.749  0.936  0.636  1.0
  O  O38  1  0.249  0.564  0.136  1.0
  O  O39  1  0.249  0.064  0.364  1.0
  O  O40  1  0.757  0.436  0.986  1.0
  O  O41  1  0.757  0.936  0.514  1.0
  O  O42  1  0.257  0.564  0.014  1.0
  O  O43  1  0.257  0.064  0.486  1.0
[/CIF]
.