The material structure described by (ZnP2(HO2)4)2O2 crystallizes in the orthorhombic Fdd2 space group. The structure consists of eight water atoms inside a ZnP2(HO2)4 framework. In the ZnP2(HO2)4 framework, Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a linear geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one P(1), one H(1), and one H(2) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one H(2) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_ZnP2H4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.285
_cell_length_b   9.994
_cell_length_c   9.176
_cell_angle_alpha   71.984
_cell_angle_beta   57.370
_cell_angle_gamma   50.646
_symmetry_Int_Tables_number   1
_cell_volume   673.109
_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
  Zn  Zn0  1  0.289  0.711  0.289  1.0
  Zn  Zn1  1  0.539  0.961  0.539  1.0
  P  P2  1  0.312  0.956  0.960  1.0
  P  P3  1  0.960  0.772  0.312  1.0
  P  P4  1  0.478  0.290  0.294  1.0
  P  P5  1  0.294  0.938  0.478  1.0
  H  H6  1  0.051  0.060  0.026  1.0
  H  H7  1  0.026  0.862  0.051  1.0
  H  H8  1  0.388  0.224  0.190  1.0
  H  H9  1  0.190  0.199  0.388  1.0
  H  H10  1  0.219  0.108  0.174  1.0
  H  H11  1  0.174  0.500  0.219  1.0
  H  H12  1  0.750  0.076  0.142  1.0
  H  H13  1  0.142  0.031  0.750  1.0
  O  O14  1  0.375  0.792  0.056  1.0
  O  O15  1  0.056  0.776  0.375  1.0
  O  O16  1  0.474  0.194  0.458  1.0
  O  O17  1  0.458  0.875  0.474  1.0
  O  O18  1  0.443  0.462  0.294  1.0
  O  O19  1  0.294  0.801  0.443  1.0
  O  O20  1  0.449  0.956  0.788  1.0
  O  O21  1  0.788  0.807  0.449  1.0
  O  O22  1  0.165  0.994  0.926  1.0
  O  O23  1  0.926  0.916  0.165  1.0
  O  O24  1  0.334  0.324  0.256  1.0
  O  O25  1  0.256  0.085  0.334  1.0
  O  O26  1  0.193  0.125  0.079  1.0
  O  O27  1  0.079  0.603  0.193  1.0
  O  O28  1  0.647  0.171  0.125  1.0
  O  O29  1  0.125  0.057  0.647  1.0
  O  O30  1  0.898  0.602  0.898  1.0
  O  O31  1  0.648  0.352  0.648  1.0
[/CIF]
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The material structure described by (ZnP2(HO2)4)2O2 crystallizes in the orthorhombic Fdd2 space group. The structure consists of eight water atoms inside a ZnP2(HO2)4 framework. In the ZnP2(HO2)4 framework, Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a linear geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one P(1), one H(1), and one H(2) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one H(2) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_ZnP2H4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.285
_cell_length_b   9.994
_cell_length_c   9.176
_cell_angle_alpha   71.984
_cell_angle_beta   57.370
_cell_angle_gamma   50.646
_symmetry_Int_Tables_number   1
_cell_volume   673.109
_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
  Zn  Zn0  1  0.289  0.711  0.289  1.0
  Zn  Zn1  1  0.539  0.961  0.539  1.0
  P  P2  1  0.312  0.956  0.960  1.0
  P  P3  1  0.960  0.772  0.312  1.0
  P  P4  1  0.478  0.290  0.294  1.0
  P  P5  1  0.294  0.938  0.478  1.0
  H  H6  1  0.051  0.060  0.026  1.0
  H  H7  1  0.026  0.862  0.051  1.0
  H  H8  1  0.388  0.224  0.190  1.0
  H  H9  1  0.190  0.199  0.388  1.0
  H  H10  1  0.219  0.108  0.174  1.0
  H  H11  1  0.174  0.500  0.219  1.0
  H  H12  1  0.750  0.076  0.142  1.0
  H  H13  1  0.142  0.031  0.750  1.0
  O  O14  1  0.375  0.792  0.056  1.0
  O  O15  1  0.056  0.776  0.375  1.0
  O  O16  1  0.474  0.194  0.458  1.0
  O  O17  1  0.458  0.875  0.474  1.0
  O  O18  1  0.443  0.462  0.294  1.0
  O  O19  1  0.294  0.801  0.443  1.0
  O  O20  1  0.449  0.956  0.788  1.0
  O  O21  1  0.788  0.807  0.449  1.0
  O  O22  1  0.165  0.994  0.926  1.0
  O  O23  1  0.926  0.916  0.165  1.0
  O  O24  1  0.334  0.324  0.256  1.0
  O  O25  1  0.256  0.085  0.334  1.0
  O  O26  1  0.193  0.125  0.079  1.0
  O  O27  1  0.079  0.603  0.193  1.0
  O  O28  1  0.647  0.171  0.125  1.0
  O  O29  1  0.125  0.057  0.647  1.0
  O  O30  1  0.898  0.602  0.898  1.0
  O  O31  1  0.648  0.352  0.648  1.0
[/CIF]
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