The compound described by (HgPHO4)2H2O crystallizes in the triclinic P-1 space group. The structure consists of two water molecules inside a HgPHO4 framework. In the HgPHO4 framework, there are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form corner-sharing PO4 tetrahedra. There are two inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one O(9) atom. In the second H site, H(4) is bonded in a single-bond geometry to one O(9) atom. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one P(1) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one P(2) atom. In the third O site, O(4) is bonded in a distorted trigonal planar geometry to one Hg(1), one Hg(2), and one P(2) atom. In the fourth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(6) is bonded in a distorted single-bond geometry to one Hg(1), one Hg(2), and one P(1) atom. In the sixth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Hg(2) and one P(1) atom. In the seventh O site, O(8) is bonded in a distorted single-bond geometry to one Hg(1), one Hg(2), and one P(2) atom. In the eighth O site, O(9) is bonded in a water-like geometry to one Hg(1), one Hg(2), one H(3), and one H(4) atom. is represented by the CIF file [CIF]
data_Hg2P2H4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.045
_cell_length_b   7.545
_cell_length_c   8.108
_cell_angle_alpha   84.914
_cell_angle_beta   75.129
_cell_angle_gamma   73.571
_symmetry_Int_Tables_number   1
_cell_volume   399.423
_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
  Hg  Hg0  1  0.189  0.231  0.521  1.0
  Hg  Hg1  1  0.264  0.636  0.755  1.0
  Hg  Hg2  1  0.736  0.364  0.245  1.0
  Hg  Hg3  1  0.811  0.769  0.479  1.0
  P  P4  1  0.223  0.536  0.188  1.0
  P  P5  1  0.331  0.796  0.362  1.0
  P  P6  1  0.669  0.204  0.638  1.0
  P  P7  1  0.777  0.464  0.812  1.0
  H  H8  1  0.178  0.103  0.144  1.0
  H  H9  1  0.167  0.270  0.014  1.0
  H  H10  1  0.201  0.030  0.870  1.0
  H  H11  1  0.583  0.025  0.261  1.0
  H  H12  1  0.417  0.975  0.739  1.0
  H  H13  1  0.799  0.970  0.130  1.0
  H  H14  1  0.833  0.730  0.986  1.0
  H  H15  1  0.822  0.897  0.856  1.0
  O  O16  1  0.111  0.163  0.053  1.0
  O  O17  1  0.008  0.431  0.728  1.0
  O  O18  1  0.312  0.004  0.322  1.0
  O  O19  1  0.164  0.759  0.518  1.0
  O  O20  1  0.276  0.732  0.196  1.0
  O  O21  1  0.357  0.390  0.284  1.0
  O  O22  1  0.269  0.487  0.000  1.0
  O  O23  1  0.454  0.313  0.631  1.0
  O  O24  1  0.728  0.025  0.245  1.0
  O  O25  1  0.272  0.975  0.755  1.0
  O  O26  1  0.546  0.687  0.369  1.0
  O  O27  1  0.731  0.513  1.000  1.0
  O  O28  1  0.643  0.610  0.716  1.0
  O  O29  1  0.724  0.268  0.804  1.0
  O  O30  1  0.836  0.241  0.482  1.0
  O  O31  1  0.688  0.996  0.678  1.0
  O  O32  1  0.992  0.569  0.272  1.0
  O  O33  1  0.889  0.837  0.947  1.0
[/CIF]
.
The compound described by (HgPHO4)2H2O crystallizes in the triclinic P-1 space group. The structure consists of two water molecules inside a HgPHO4 framework. In the HgPHO4 framework, there are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form corner-sharing PO4 tetrahedra. There are two inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one O(9) atom. In the second H site, H(4) is bonded in a single-bond geometry to one O(9) atom. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one P(1) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one P(2) atom. In the third O site, O(4) is bonded in a distorted trigonal planar geometry to one Hg(1), one Hg(2), and one P(2) atom. In the fourth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(6) is bonded in a distorted single-bond geometry to one Hg(1), one Hg(2), and one P(1) atom. In the sixth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Hg(2) and one P(1) atom. In the seventh O site, O(8) is bonded in a distorted single-bond geometry to one Hg(1), one Hg(2), and one P(2) atom. In the eighth O site, O(9) is bonded in a water-like geometry to one Hg(1), one Hg(2), one H(3), and one H(4) atom. is represented by the CIF file [CIF]
data_Hg2P2H4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.045
_cell_length_b   7.545
_cell_length_c   8.108
_cell_angle_alpha   84.914
_cell_angle_beta   75.129
_cell_angle_gamma   73.571
_symmetry_Int_Tables_number   1
_cell_volume   399.423
_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
  Hg  Hg0  1  0.189  0.231  0.521  1.0
  Hg  Hg1  1  0.264  0.636  0.755  1.0
  Hg  Hg2  1  0.736  0.364  0.245  1.0
  Hg  Hg3  1  0.811  0.769  0.479  1.0
  P  P4  1  0.223  0.536  0.188  1.0
  P  P5  1  0.331  0.796  0.362  1.0
  P  P6  1  0.669  0.204  0.638  1.0
  P  P7  1  0.777  0.464  0.812  1.0
  H  H8  1  0.178  0.103  0.144  1.0
  H  H9  1  0.167  0.270  0.014  1.0
  H  H10  1  0.201  0.030  0.870  1.0
  H  H11  1  0.583  0.025  0.261  1.0
  H  H12  1  0.417  0.975  0.739  1.0
  H  H13  1  0.799  0.970  0.130  1.0
  H  H14  1  0.833  0.730  0.986  1.0
  H  H15  1  0.822  0.897  0.856  1.0
  O  O16  1  0.111  0.163  0.053  1.0
  O  O17  1  0.008  0.431  0.728  1.0
  O  O18  1  0.312  0.004  0.322  1.0
  O  O19  1  0.164  0.759  0.518  1.0
  O  O20  1  0.276  0.732  0.196  1.0
  O  O21  1  0.357  0.390  0.284  1.0
  O  O22  1  0.269  0.487  0.000  1.0
  O  O23  1  0.454  0.313  0.631  1.0
  O  O24  1  0.728  0.025  0.245  1.0
  O  O25  1  0.272  0.975  0.755  1.0
  O  O26  1  0.546  0.687  0.369  1.0
  O  O27  1  0.731  0.513  1.000  1.0
  O  O28  1  0.643  0.610  0.716  1.0
  O  O29  1  0.724  0.268  0.804  1.0
  O  O30  1  0.836  0.241  0.482  1.0
  O  O31  1  0.688  0.996  0.678  1.0
  O  O32  1  0.992  0.569  0.272  1.0
  O  O33  1  0.889  0.837  0.947  1.0
[/CIF]
.