The structure described by FeP2(H4O5)2 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(4) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(1) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one H(3) atom. In the second O site, O(5) is bonded in a distorted water-like geometry to one P(1) and one H(4) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one P(1), and one H(4) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one P(1), and one H(1) atom. In the fifth O site, O(3) is bonded in a distorted water-like geometry to one Fe(1), one H(1), and one H(2) atom. is represented by the CIF card [CIF]
data_FeP2(H4O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.405
_cell_length_b   7.287
_cell_length_c   10.097
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   94.029
_symmetry_Int_Tables_number   1
_cell_volume   396.672
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  P  P2  1  0.754  0.662  0.783  1.0
  P  P3  1  0.254  0.162  0.717  1.0
  P  P4  1  0.246  0.338  0.217  1.0
  P  P5  1  0.746  0.838  0.283  1.0
  H  H6  1  0.574  0.171  0.921  1.0
  H  H7  1  0.074  0.671  0.579  1.0
  H  H8  1  0.426  0.829  0.079  1.0
  H  H9  1  0.926  0.329  0.421  1.0
  H  H10  1  0.682  0.274  0.046  1.0
  H  H11  1  0.182  0.774  0.454  1.0
  H  H12  1  0.318  0.726  0.954  1.0
  H  H13  1  0.818  0.226  0.546  1.0
  H  H14  1  0.849  0.408  0.893  1.0
  H  H15  1  0.349  0.908  0.607  1.0
  H  H16  1  0.151  0.592  0.107  1.0
  H  H17  1  0.651  0.092  0.393  1.0
  H  H18  1  0.391  0.509  0.777  1.0
  H  H19  1  0.891  0.009  0.723  1.0
  H  H20  1  0.609  0.491  0.223  1.0
  H  H21  1  0.109  0.991  0.277  1.0
  O  O22  1  0.836  0.858  0.826  1.0
  O  O23  1  0.336  0.358  0.674  1.0
  O  O24  1  0.164  0.142  0.174  1.0
  O  O25  1  0.664  0.642  0.326  1.0
  O  O26  1  0.771  0.628  0.634  1.0
  O  O27  1  0.271  0.128  0.866  1.0
  O  O28  1  0.229  0.372  0.366  1.0
  O  O29  1  0.729  0.872  0.134  1.0
  O  O30  1  0.735  0.215  0.963  1.0
  O  O31  1  0.235  0.715  0.537  1.0
  O  O32  1  0.265  0.785  0.037  1.0
  O  O33  1  0.765  0.285  0.463  1.0
  O  O34  1  0.923  0.532  0.862  1.0
  O  O35  1  0.423  0.032  0.638  1.0
  O  O36  1  0.077  0.468  0.138  1.0
  O  O37  1  0.577  0.968  0.362  1.0
  O  O38  1  0.474  0.618  0.830  1.0
  O  O39  1  0.974  0.118  0.670  1.0
  O  O40  1  0.526  0.382  0.170  1.0
  O  O41  1  0.026  0.882  0.330  1.0
[/CIF]
.
The structure described by FeP2(H4O5)2 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(4) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(1) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one H(3) atom. In the second O site, O(5) is bonded in a distorted water-like geometry to one P(1) and one H(4) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one P(1), and one H(4) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one P(1), and one H(1) atom. In the fifth O site, O(3) is bonded in a distorted water-like geometry to one Fe(1), one H(1), and one H(2) atom. is represented by the CIF card [CIF]
data_FeP2(H4O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.405
_cell_length_b   7.287
_cell_length_c   10.097
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   94.029
_symmetry_Int_Tables_number   1
_cell_volume   396.672
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  P  P2  1  0.754  0.662  0.783  1.0
  P  P3  1  0.254  0.162  0.717  1.0
  P  P4  1  0.246  0.338  0.217  1.0
  P  P5  1  0.746  0.838  0.283  1.0
  H  H6  1  0.574  0.171  0.921  1.0
  H  H7  1  0.074  0.671  0.579  1.0
  H  H8  1  0.426  0.829  0.079  1.0
  H  H9  1  0.926  0.329  0.421  1.0
  H  H10  1  0.682  0.274  0.046  1.0
  H  H11  1  0.182  0.774  0.454  1.0
  H  H12  1  0.318  0.726  0.954  1.0
  H  H13  1  0.818  0.226  0.546  1.0
  H  H14  1  0.849  0.408  0.893  1.0
  H  H15  1  0.349  0.908  0.607  1.0
  H  H16  1  0.151  0.592  0.107  1.0
  H  H17  1  0.651  0.092  0.393  1.0
  H  H18  1  0.391  0.509  0.777  1.0
  H  H19  1  0.891  0.009  0.723  1.0
  H  H20  1  0.609  0.491  0.223  1.0
  H  H21  1  0.109  0.991  0.277  1.0
  O  O22  1  0.836  0.858  0.826  1.0
  O  O23  1  0.336  0.358  0.674  1.0
  O  O24  1  0.164  0.142  0.174  1.0
  O  O25  1  0.664  0.642  0.326  1.0
  O  O26  1  0.771  0.628  0.634  1.0
  O  O27  1  0.271  0.128  0.866  1.0
  O  O28  1  0.229  0.372  0.366  1.0
  O  O29  1  0.729  0.872  0.134  1.0
  O  O30  1  0.735  0.215  0.963  1.0
  O  O31  1  0.235  0.715  0.537  1.0
  O  O32  1  0.265  0.785  0.037  1.0
  O  O33  1  0.765  0.285  0.463  1.0
  O  O34  1  0.923  0.532  0.862  1.0
  O  O35  1  0.423  0.032  0.638  1.0
  O  O36  1  0.077  0.468  0.138  1.0
  O  O37  1  0.577  0.968  0.362  1.0
  O  O38  1  0.474  0.618  0.830  1.0
  O  O39  1  0.974  0.118  0.670  1.0
  O  O40  1  0.526  0.382  0.170  1.0
  O  O41  1  0.026  0.882  0.330  1.0
[/CIF]
.