The structure described by Zn2CPH2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted ZnO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. C(1) is bonded in a distorted bent 120 degrees geometry to one O(6) and one O(7) atom. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra, corners with three equivalent Zn(1)O4 tetrahedra, and  an edgeedge with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(6) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one P(1) atom. In the second O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one P(1), and one H(2) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Zn(2), one C(1), and one H(1) atom. In the fourth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Zn(2) and one C(1) atom. In the fifth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one H(1), and one H(2) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the seventh O site, O(3) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2PH2CO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.872
_cell_length_b   8.053
_cell_length_c   15.530
_cell_angle_alpha   66.479
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   558.622
_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
  Zn  Zn0  1  0.995  0.555  0.133  1.0
  Zn  Zn1  1  0.495  0.445  0.367  1.0
  Zn  Zn2  1  0.005  0.445  0.867  1.0
  Zn  Zn3  1  0.505  0.555  0.633  1.0
  Zn  Zn4  1  0.975  0.098  0.307  1.0
  Zn  Zn5  1  0.475  0.902  0.193  1.0
  Zn  Zn6  1  0.025  0.902  0.693  1.0
  Zn  Zn7  1  0.525  0.098  0.807  1.0
  P  P8  1  0.529  0.303  0.201  1.0
  P  P9  1  0.029  0.697  0.299  1.0
  P  P10  1  0.471  0.697  0.799  1.0
  P  P11  1  0.971  0.303  0.701  1.0
  H  H12  1  1.000  0.782  0.966  1.0
  H  H13  1  0.500  0.218  0.534  1.0
  H  H14  1  0.000  0.218  0.034  1.0
  H  H15  1  0.500  0.782  0.466  1.0
  H  H16  1  0.238  0.638  0.967  1.0
  H  H17  1  0.262  0.638  0.467  1.0
  H  H18  1  0.738  0.362  0.533  1.0
  H  H19  1  0.762  0.362  0.033  1.0
  C  C20  1  0.119  0.067  0.492  1.0
  C  C21  1  0.619  0.933  0.008  1.0
  C  C22  1  0.881  0.933  0.508  1.0
  C  C23  1  0.381  0.067  0.992  1.0
  O  O24  1  0.354  0.698  0.505  1.0
  O  O25  1  0.790  0.694  0.802  1.0
  O  O26  1  0.710  0.694  0.302  1.0
  O  O27  1  0.210  0.306  0.198  1.0
  O  O28  1  0.847  0.338  0.785  1.0
  O  O29  1  0.347  0.662  0.715  1.0
  O  O30  1  0.153  0.662  0.215  1.0
  O  O31  1  0.290  0.306  0.698  1.0
  O  O32  1  0.858  0.111  0.717  1.0
  O  O33  1  0.358  0.889  0.783  1.0
  O  O34  1  0.142  0.889  0.283  1.0
  O  O35  1  0.642  0.111  0.217  1.0
  O  O36  1  0.852  0.448  0.609  1.0
  O  O37  1  0.352  0.552  0.891  1.0
  O  O38  1  0.148  0.552  0.391  1.0
  O  O39  1  0.648  0.448  0.109  1.0
  O  O40  1  0.728  0.925  0.935  1.0
  O  O41  1  0.228  0.075  0.565  1.0
  O  O42  1  0.272  0.075  0.065  1.0
  O  O43  1  0.772  0.925  0.435  1.0
  O  O44  1  0.691  0.841  0.092  1.0
  O  O45  1  0.191  0.159  0.408  1.0
  O  O46  1  0.309  0.159  0.908  1.0
  O  O47  1  0.809  0.841  0.592  1.0
  O  O48  1  0.646  0.302  0.495  1.0
  O  O49  1  0.146  0.698  0.005  1.0
  O  O50  1  0.653  0.338  0.285  1.0
  O  O51  1  0.854  0.302  0.995  1.0
[/CIF]
.
The structure described by Zn2CPH2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted ZnO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. C(1) is bonded in a distorted bent 120 degrees geometry to one O(6) and one O(7) atom. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra, corners with three equivalent Zn(1)O4 tetrahedra, and  an edgeedge with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(6) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one P(1) atom. In the second O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one P(1), and one H(2) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Zn(2), one C(1), and one H(1) atom. In the fourth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Zn(2) and one C(1) atom. In the fifth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one H(1), and one H(2) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the seventh O site, O(3) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2PH2CO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.872
_cell_length_b   8.053
_cell_length_c   15.530
_cell_angle_alpha   66.479
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   558.622
_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
  Zn  Zn0  1  0.995  0.555  0.133  1.0
  Zn  Zn1  1  0.495  0.445  0.367  1.0
  Zn  Zn2  1  0.005  0.445  0.867  1.0
  Zn  Zn3  1  0.505  0.555  0.633  1.0
  Zn  Zn4  1  0.975  0.098  0.307  1.0
  Zn  Zn5  1  0.475  0.902  0.193  1.0
  Zn  Zn6  1  0.025  0.902  0.693  1.0
  Zn  Zn7  1  0.525  0.098  0.807  1.0
  P  P8  1  0.529  0.303  0.201  1.0
  P  P9  1  0.029  0.697  0.299  1.0
  P  P10  1  0.471  0.697  0.799  1.0
  P  P11  1  0.971  0.303  0.701  1.0
  H  H12  1  1.000  0.782  0.966  1.0
  H  H13  1  0.500  0.218  0.534  1.0
  H  H14  1  0.000  0.218  0.034  1.0
  H  H15  1  0.500  0.782  0.466  1.0
  H  H16  1  0.238  0.638  0.967  1.0
  H  H17  1  0.262  0.638  0.467  1.0
  H  H18  1  0.738  0.362  0.533  1.0
  H  H19  1  0.762  0.362  0.033  1.0
  C  C20  1  0.119  0.067  0.492  1.0
  C  C21  1  0.619  0.933  0.008  1.0
  C  C22  1  0.881  0.933  0.508  1.0
  C  C23  1  0.381  0.067  0.992  1.0
  O  O24  1  0.354  0.698  0.505  1.0
  O  O25  1  0.790  0.694  0.802  1.0
  O  O26  1  0.710  0.694  0.302  1.0
  O  O27  1  0.210  0.306  0.198  1.0
  O  O28  1  0.847  0.338  0.785  1.0
  O  O29  1  0.347  0.662  0.715  1.0
  O  O30  1  0.153  0.662  0.215  1.0
  O  O31  1  0.290  0.306  0.698  1.0
  O  O32  1  0.858  0.111  0.717  1.0
  O  O33  1  0.358  0.889  0.783  1.0
  O  O34  1  0.142  0.889  0.283  1.0
  O  O35  1  0.642  0.111  0.217  1.0
  O  O36  1  0.852  0.448  0.609  1.0
  O  O37  1  0.352  0.552  0.891  1.0
  O  O38  1  0.148  0.552  0.391  1.0
  O  O39  1  0.648  0.448  0.109  1.0
  O  O40  1  0.728  0.925  0.935  1.0
  O  O41  1  0.228  0.075  0.565  1.0
  O  O42  1  0.272  0.075  0.065  1.0
  O  O43  1  0.772  0.925  0.435  1.0
  O  O44  1  0.691  0.841  0.092  1.0
  O  O45  1  0.191  0.159  0.408  1.0
  O  O46  1  0.309  0.159  0.908  1.0
  O  O47  1  0.809  0.841  0.592  1.0
  O  O48  1  0.646  0.302  0.495  1.0
  O  O49  1  0.146  0.698  0.005  1.0
  O  O50  1  0.653  0.338  0.285  1.0
  O  O51  1  0.854  0.302  0.995  1.0
[/CIF]
.