The crystal structure described by Fe2CPH2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-59°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), one O(7), and two equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-59°. C(1) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(7) atom. P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. 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(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted water-like geometry to one Fe(1), one H(1), and one H(2) atom. In the second O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one P(1) atom. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one C(1) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Fe(2) and one P(1) atom. In the fifth O site, O(7) is bonded in a 3-coordinate geometry to one Fe(2), one C(1), and one H(2) atom. In the sixth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one P(1), and one H(1) atom. In the seventh O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Fe2PH2CO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.903
_cell_length_b   8.125
_cell_length_c   15.821
_cell_angle_alpha   64.319
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   568.005
_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
  Fe  Fe0  1  0.459  0.934  0.359  1.0
  Fe  Fe1  1  0.959  0.066  0.141  1.0
  Fe  Fe2  1  0.541  0.066  0.641  1.0
  Fe  Fe3  1  0.041  0.934  0.859  1.0
  Fe  Fe4  1  0.967  0.607  0.304  1.0
  Fe  Fe5  1  0.467  0.393  0.196  1.0
  Fe  Fe6  1  0.033  0.393  0.696  1.0
  Fe  Fe7  1  0.533  0.607  0.804  1.0
  P  P8  1  0.521  0.807  0.192  1.0
  P  P9  1  0.021  0.193  0.308  1.0
  P  P10  1  0.479  0.193  0.808  1.0
  P  P11  1  0.979  0.807  0.692  1.0
  H  H12  1  0.744  0.861  0.522  1.0
  H  H13  1  0.244  0.139  0.978  1.0
  H  H14  1  0.256  0.139  0.478  1.0
  H  H15  1  0.756  0.861  0.022  1.0
  H  H16  1  0.512  0.713  0.532  1.0
  H  H17  1  0.012  0.287  0.968  1.0
  H  H18  1  0.488  0.287  0.468  1.0
  H  H19  1  0.988  0.713  0.032  1.0
  C  C20  1  0.882  0.432  0.508  1.0
  C  C21  1  0.382  0.568  0.992  1.0
  C  C22  1  0.118  0.568  0.492  1.0
  C  C23  1  0.618  0.432  0.008  1.0
  O  O24  1  0.141  0.053  0.402  1.0
  O  O25  1  0.641  0.947  0.098  1.0
  O  O26  1  0.859  0.947  0.598  1.0
  O  O27  1  0.359  0.053  0.902  1.0
  O  O28  1  0.706  0.186  0.304  1.0
  O  O29  1  0.206  0.814  0.196  1.0
  O  O30  1  0.294  0.814  0.696  1.0
  O  O31  1  0.794  0.186  0.804  1.0
  O  O32  1  0.650  0.797  0.489  1.0
  O  O33  1  0.150  0.203  0.011  1.0
  O  O34  1  0.350  0.203  0.511  1.0
  O  O35  1  0.850  0.797  0.989  1.0
  O  O36  1  0.659  0.851  0.271  1.0
  O  O37  1  0.159  0.149  0.229  1.0
  O  O38  1  0.341  0.149  0.729  1.0
  O  O39  1  0.841  0.851  0.771  1.0
  O  O40  1  0.183  0.668  0.406  1.0
  O  O41  1  0.683  0.332  0.094  1.0
  O  O42  1  0.817  0.332  0.594  1.0
  O  O43  1  0.317  0.668  0.906  1.0
  O  O44  1  0.623  0.610  0.216  1.0
  O  O45  1  0.123  0.390  0.284  1.0
  O  O46  1  0.377  0.390  0.784  1.0
  O  O47  1  0.877  0.610  0.716  1.0
  O  O48  1  0.771  0.431  0.437  1.0
  O  O49  1  0.271  0.569  0.063  1.0
  O  O50  1  0.229  0.569  0.563  1.0
  O  O51  1  0.729  0.431  0.937  1.0
[/CIF]
.
The crystal structure described by Fe2CPH2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-59°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), one O(7), and two equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-59°. C(1) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(7) atom. P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. 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(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted water-like geometry to one Fe(1), one H(1), and one H(2) atom. In the second O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one P(1) atom. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one C(1) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Fe(2) and one P(1) atom. In the fifth O site, O(7) is bonded in a 3-coordinate geometry to one Fe(2), one C(1), and one H(2) atom. In the sixth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one P(1), and one H(1) atom. In the seventh O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Fe2PH2CO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.903
_cell_length_b   8.125
_cell_length_c   15.821
_cell_angle_alpha   64.319
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   568.005
_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
  Fe  Fe0  1  0.459  0.934  0.359  1.0
  Fe  Fe1  1  0.959  0.066  0.141  1.0
  Fe  Fe2  1  0.541  0.066  0.641  1.0
  Fe  Fe3  1  0.041  0.934  0.859  1.0
  Fe  Fe4  1  0.967  0.607  0.304  1.0
  Fe  Fe5  1  0.467  0.393  0.196  1.0
  Fe  Fe6  1  0.033  0.393  0.696  1.0
  Fe  Fe7  1  0.533  0.607  0.804  1.0
  P  P8  1  0.521  0.807  0.192  1.0
  P  P9  1  0.021  0.193  0.308  1.0
  P  P10  1  0.479  0.193  0.808  1.0
  P  P11  1  0.979  0.807  0.692  1.0
  H  H12  1  0.744  0.861  0.522  1.0
  H  H13  1  0.244  0.139  0.978  1.0
  H  H14  1  0.256  0.139  0.478  1.0
  H  H15  1  0.756  0.861  0.022  1.0
  H  H16  1  0.512  0.713  0.532  1.0
  H  H17  1  0.012  0.287  0.968  1.0
  H  H18  1  0.488  0.287  0.468  1.0
  H  H19  1  0.988  0.713  0.032  1.0
  C  C20  1  0.882  0.432  0.508  1.0
  C  C21  1  0.382  0.568  0.992  1.0
  C  C22  1  0.118  0.568  0.492  1.0
  C  C23  1  0.618  0.432  0.008  1.0
  O  O24  1  0.141  0.053  0.402  1.0
  O  O25  1  0.641  0.947  0.098  1.0
  O  O26  1  0.859  0.947  0.598  1.0
  O  O27  1  0.359  0.053  0.902  1.0
  O  O28  1  0.706  0.186  0.304  1.0
  O  O29  1  0.206  0.814  0.196  1.0
  O  O30  1  0.294  0.814  0.696  1.0
  O  O31  1  0.794  0.186  0.804  1.0
  O  O32  1  0.650  0.797  0.489  1.0
  O  O33  1  0.150  0.203  0.011  1.0
  O  O34  1  0.350  0.203  0.511  1.0
  O  O35  1  0.850  0.797  0.989  1.0
  O  O36  1  0.659  0.851  0.271  1.0
  O  O37  1  0.159  0.149  0.229  1.0
  O  O38  1  0.341  0.149  0.729  1.0
  O  O39  1  0.841  0.851  0.771  1.0
  O  O40  1  0.183  0.668  0.406  1.0
  O  O41  1  0.683  0.332  0.094  1.0
  O  O42  1  0.817  0.332  0.594  1.0
  O  O43  1  0.317  0.668  0.906  1.0
  O  O44  1  0.623  0.610  0.216  1.0
  O  O45  1  0.123  0.390  0.284  1.0
  O  O46  1  0.377  0.390  0.784  1.0
  O  O47  1  0.877  0.610  0.716  1.0
  O  O48  1  0.771  0.431  0.437  1.0
  O  O49  1  0.271  0.569  0.063  1.0
  O  O50  1  0.229  0.569  0.563  1.0
  O  O51  1  0.729  0.431  0.937  1.0
[/CIF]
.