The material structure described by Fe3P2(H2O3)4 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 two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. 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 Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(5) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(3) and one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one P(1), and one H(3) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the third O site, O(5) is bonded in a distorted water-like geometry to one Fe(1), one Fe(2), one H(1), and one H(2) atom. In the fourth O site, O(6) is bonded in a distorted water-like geometry to two equivalent Fe(2), one H(3), and one H(4) atom. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one P(1), and one H(2) atom. is represented by the CIF file [CIF]
data_Fe3P2(H2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.723
_cell_length_b   9.394
_cell_length_c   10.684
_cell_angle_alpha   79.676
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   466.317
_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
  Fe  Fe0  1  0.500  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.430  0.671  0.672  1.0
  Fe  Fe3  1  0.930  0.329  0.828  1.0
  Fe  Fe4  1  0.570  0.329  0.328  1.0
  Fe  Fe5  1  0.070  0.671  0.172  1.0
  P  P6  1  0.531  0.763  0.952  1.0
  P  P7  1  0.031  0.237  0.548  1.0
  P  P8  1  0.469  0.237  0.048  1.0
  P  P9  1  0.969  0.763  0.452  1.0
  H  H10  1  0.070  0.939  0.646  1.0
  H  H11  1  0.570  0.061  0.854  1.0
  H  H12  1  0.930  0.061  0.354  1.0
  H  H13  1  0.430  0.939  0.146  1.0
  H  H14  1  0.290  0.909  0.764  1.0
  H  H15  1  0.790  0.091  0.736  1.0
  H  H16  1  0.710  0.091  0.236  1.0
  H  H17  1  0.210  0.909  0.264  1.0
  H  H18  1  0.938  0.609  0.830  1.0
  H  H19  1  0.438  0.391  0.670  1.0
  H  H20  1  0.062  0.391  0.170  1.0
  H  H21  1  0.562  0.609  0.330  1.0
  H  H22  1  0.215  0.555  0.907  1.0
  H  H23  1  0.715  0.445  0.593  1.0
  H  H24  1  0.785  0.445  0.093  1.0
  H  H25  1  0.285  0.555  0.407  1.0
  O  O26  1  0.719  0.801  0.535  1.0
  O  O27  1  0.219  0.199  0.965  1.0
  O  O28  1  0.281  0.199  0.465  1.0
  O  O29  1  0.781  0.801  0.035  1.0
  O  O30  1  0.348  0.902  0.907  1.0
  O  O31  1  0.848  0.098  0.593  1.0
  O  O32  1  0.652  0.098  0.093  1.0
  O  O33  1  0.152  0.902  0.407  1.0
  O  O34  1  0.647  0.710  0.832  1.0
  O  O35  1  0.147  0.290  0.668  1.0
  O  O36  1  0.353  0.290  0.168  1.0
  O  O37  1  0.853  0.710  0.332  1.0
  O  O38  1  0.152  0.642  0.531  1.0
  O  O39  1  0.652  0.358  0.969  1.0
  O  O40  1  0.848  0.358  0.469  1.0
  O  O41  1  0.348  0.642  0.031  1.0
  O  O42  1  0.260  0.898  0.671  1.0
  O  O43  1  0.760  0.102  0.829  1.0
  O  O44  1  0.740  0.102  0.329  1.0
  O  O45  1  0.240  0.898  0.171  1.0
  O  O46  1  0.110  0.545  0.828  1.0
  O  O47  1  0.610  0.455  0.672  1.0
  O  O48  1  0.890  0.455  0.172  1.0
  O  O49  1  0.390  0.545  0.328  1.0
[/CIF]
.
The material structure described by Fe3P2(H2O3)4 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 two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. 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 Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(5) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(3) and one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one P(1), and one H(3) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the third O site, O(5) is bonded in a distorted water-like geometry to one Fe(1), one Fe(2), one H(1), and one H(2) atom. In the fourth O site, O(6) is bonded in a distorted water-like geometry to two equivalent Fe(2), one H(3), and one H(4) atom. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one P(1), and one H(2) atom. is represented by the CIF file [CIF]
data_Fe3P2(H2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.723
_cell_length_b   9.394
_cell_length_c   10.684
_cell_angle_alpha   79.676
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   466.317
_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
  Fe  Fe0  1  0.500  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.430  0.671  0.672  1.0
  Fe  Fe3  1  0.930  0.329  0.828  1.0
  Fe  Fe4  1  0.570  0.329  0.328  1.0
  Fe  Fe5  1  0.070  0.671  0.172  1.0
  P  P6  1  0.531  0.763  0.952  1.0
  P  P7  1  0.031  0.237  0.548  1.0
  P  P8  1  0.469  0.237  0.048  1.0
  P  P9  1  0.969  0.763  0.452  1.0
  H  H10  1  0.070  0.939  0.646  1.0
  H  H11  1  0.570  0.061  0.854  1.0
  H  H12  1  0.930  0.061  0.354  1.0
  H  H13  1  0.430  0.939  0.146  1.0
  H  H14  1  0.290  0.909  0.764  1.0
  H  H15  1  0.790  0.091  0.736  1.0
  H  H16  1  0.710  0.091  0.236  1.0
  H  H17  1  0.210  0.909  0.264  1.0
  H  H18  1  0.938  0.609  0.830  1.0
  H  H19  1  0.438  0.391  0.670  1.0
  H  H20  1  0.062  0.391  0.170  1.0
  H  H21  1  0.562  0.609  0.330  1.0
  H  H22  1  0.215  0.555  0.907  1.0
  H  H23  1  0.715  0.445  0.593  1.0
  H  H24  1  0.785  0.445  0.093  1.0
  H  H25  1  0.285  0.555  0.407  1.0
  O  O26  1  0.719  0.801  0.535  1.0
  O  O27  1  0.219  0.199  0.965  1.0
  O  O28  1  0.281  0.199  0.465  1.0
  O  O29  1  0.781  0.801  0.035  1.0
  O  O30  1  0.348  0.902  0.907  1.0
  O  O31  1  0.848  0.098  0.593  1.0
  O  O32  1  0.652  0.098  0.093  1.0
  O  O33  1  0.152  0.902  0.407  1.0
  O  O34  1  0.647  0.710  0.832  1.0
  O  O35  1  0.147  0.290  0.668  1.0
  O  O36  1  0.353  0.290  0.168  1.0
  O  O37  1  0.853  0.710  0.332  1.0
  O  O38  1  0.152  0.642  0.531  1.0
  O  O39  1  0.652  0.358  0.969  1.0
  O  O40  1  0.848  0.358  0.469  1.0
  O  O41  1  0.348  0.642  0.031  1.0
  O  O42  1  0.260  0.898  0.671  1.0
  O  O43  1  0.760  0.102  0.829  1.0
  O  O44  1  0.740  0.102  0.329  1.0
  O  O45  1  0.240  0.898  0.171  1.0
  O  O46  1  0.110  0.545  0.828  1.0
  O  O47  1  0.610  0.455  0.672  1.0
  O  O48  1  0.890  0.455  0.172  1.0
  O  O49  1  0.390  0.545  0.328  1.0
[/CIF]
.