The material described by ZnP2(H4O5)2 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form ZnO6 octahedra 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)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) and one O(5) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one P(1), one H(2), and one H(4) atom. In the second O site, O(5) is bonded in a distorted water-like geometry to one Zn(1), one H(1), one H(2), and one H(3) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one P(1), and one H(4) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one P(1), and one H(1) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(3) atom. is represented by the CIF file [CIF]
data_ZnP2(H4O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.961
_cell_length_b   5.203
_cell_length_c   8.586
_cell_angle_alpha   55.558
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.987
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.500  0.000  0.500  1.0
  P  P2  1  0.217  0.907  0.337  1.0
  P  P3  1  0.283  0.907  0.837  1.0
  P  P4  1  0.783  0.093  0.663  1.0
  P  P5  1  0.717  0.093  0.163  1.0
  H  H6  1  0.075  0.599  0.833  1.0
  H  H7  1  0.425  0.599  0.333  1.0
  H  H8  1  0.925  0.401  0.167  1.0
  H  H9  1  0.575  0.401  0.667  1.0
  H  H10  1  0.949  0.583  0.730  1.0
  H  H11  1  0.551  0.583  0.230  1.0
  H  H12  1  0.051  0.417  0.270  1.0
  H  H13  1  0.449  0.417  0.770  1.0
  H  H14  1  0.108  0.547  0.600  1.0
  H  H15  1  0.392  0.547  0.100  1.0
  H  H16  1  0.892  0.453  0.400  1.0
  H  H17  1  0.608  0.453  0.900  1.0
  H  H18  1  0.226  0.129  0.487  1.0
  H  H19  1  0.274  0.129  0.987  1.0
  H  H20  1  0.774  0.871  0.513  1.0
  H  H21  1  0.726  0.871  0.013  1.0
  O  O22  1  0.168  0.019  0.141  1.0
  O  O23  1  0.332  0.019  0.641  1.0
  O  O24  1  0.832  0.981  0.859  1.0
  O  O25  1  0.668  0.981  0.359  1.0
  O  O26  1  0.367  0.865  0.362  1.0
  O  O27  1  0.133  0.865  0.862  1.0
  O  O28  1  0.633  0.135  0.638  1.0
  O  O29  1  0.867  0.135  0.138  1.0
  O  O30  1  0.142  0.594  0.477  1.0
  O  O31  1  0.358  0.594  0.977  1.0
  O  O32  1  0.858  0.406  0.523  1.0
  O  O33  1  0.642  0.406  0.023  1.0
  O  O34  1  0.172  0.152  0.379  1.0
  O  O35  1  0.328  0.152  0.879  1.0
  O  O36  1  0.828  0.848  0.621  1.0
  O  O37  1  0.672  0.848  0.121  1.0
  O  O38  1  0.034  0.472  0.790  1.0
  O  O39  1  0.466  0.472  0.290  1.0
  O  O40  1  0.966  0.528  0.210  1.0
  O  O41  1  0.534  0.528  0.710  1.0
[/CIF]
.
The material described by ZnP2(H4O5)2 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form ZnO6 octahedra 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)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) and one O(5) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one P(1), one H(2), and one H(4) atom. In the second O site, O(5) is bonded in a distorted water-like geometry to one Zn(1), one H(1), one H(2), and one H(3) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one P(1), and one H(4) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one P(1), and one H(1) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(3) atom. is represented by the CIF file [CIF]
data_ZnP2(H4O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.961
_cell_length_b   5.203
_cell_length_c   8.586
_cell_angle_alpha   55.558
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.987
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.500  0.000  0.500  1.0
  P  P2  1  0.217  0.907  0.337  1.0
  P  P3  1  0.283  0.907  0.837  1.0
  P  P4  1  0.783  0.093  0.663  1.0
  P  P5  1  0.717  0.093  0.163  1.0
  H  H6  1  0.075  0.599  0.833  1.0
  H  H7  1  0.425  0.599  0.333  1.0
  H  H8  1  0.925  0.401  0.167  1.0
  H  H9  1  0.575  0.401  0.667  1.0
  H  H10  1  0.949  0.583  0.730  1.0
  H  H11  1  0.551  0.583  0.230  1.0
  H  H12  1  0.051  0.417  0.270  1.0
  H  H13  1  0.449  0.417  0.770  1.0
  H  H14  1  0.108  0.547  0.600  1.0
  H  H15  1  0.392  0.547  0.100  1.0
  H  H16  1  0.892  0.453  0.400  1.0
  H  H17  1  0.608  0.453  0.900  1.0
  H  H18  1  0.226  0.129  0.487  1.0
  H  H19  1  0.274  0.129  0.987  1.0
  H  H20  1  0.774  0.871  0.513  1.0
  H  H21  1  0.726  0.871  0.013  1.0
  O  O22  1  0.168  0.019  0.141  1.0
  O  O23  1  0.332  0.019  0.641  1.0
  O  O24  1  0.832  0.981  0.859  1.0
  O  O25  1  0.668  0.981  0.359  1.0
  O  O26  1  0.367  0.865  0.362  1.0
  O  O27  1  0.133  0.865  0.862  1.0
  O  O28  1  0.633  0.135  0.638  1.0
  O  O29  1  0.867  0.135  0.138  1.0
  O  O30  1  0.142  0.594  0.477  1.0
  O  O31  1  0.358  0.594  0.977  1.0
  O  O32  1  0.858  0.406  0.523  1.0
  O  O33  1  0.642  0.406  0.023  1.0
  O  O34  1  0.172  0.152  0.379  1.0
  O  O35  1  0.328  0.152  0.879  1.0
  O  O36  1  0.828  0.848  0.621  1.0
  O  O37  1  0.672  0.848  0.121  1.0
  O  O38  1  0.034  0.472  0.790  1.0
  O  O39  1  0.466  0.472  0.290  1.0
  O  O40  1  0.966  0.528  0.210  1.0
  O  O41  1  0.534  0.528  0.710  1.0
[/CIF]
.