The material described by FeP3HO10NH4 crystallizes in the monoclinic C2/c space group. The structure consists of four ammonium molecules inside a FeP3HO10 framework. In the FeP3HO10 framework, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-48°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. H(3) is bonded in a linear geometry to two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeP3H5NO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.455
_cell_length_b   7.455
_cell_length_c   9.466
_cell_angle_alpha   71.888
_cell_angle_beta   71.888
_cell_angle_gamma   69.992
_symmetry_Int_Tables_number   1
_cell_volume   457.306
_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  0.500  0.500  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  P  P2  1  0.278  0.143  0.705  1.0
  P  P3  1  0.857  0.722  0.795  1.0
  P  P4  1  0.722  0.857  0.295  1.0
  P  P5  1  0.143  0.278  0.205  1.0
  P  P6  1  0.876  0.124  0.750  1.0
  P  P7  1  0.124  0.876  0.250  1.0
  H  H8  1  0.679  0.453  0.259  1.0
  H  H9  1  0.547  0.321  0.241  1.0
  H  H10  1  0.321  0.547  0.741  1.0
  H  H11  1  0.453  0.679  0.759  1.0
  H  H12  1  0.566  0.510  0.656  1.0
  H  H13  1  0.490  0.434  0.844  1.0
  H  H14  1  0.434  0.490  0.344  1.0
  H  H15  1  0.510  0.566  0.156  1.0
  H  H16  1  0.000  0.500  0.000  1.0
  H  H17  1  0.500  0.000  0.500  1.0
  N  N18  1  0.456  0.544  0.750  1.0
  N  N19  1  0.544  0.456  0.250  1.0
  O  O20  1  0.069  0.094  0.803  1.0
  O  O21  1  0.906  0.931  0.697  1.0
  O  O22  1  0.931  0.906  0.197  1.0
  O  O23  1  0.094  0.069  0.303  1.0
  O  O24  1  0.231  0.346  0.598  1.0
  O  O25  1  0.654  0.769  0.902  1.0
  O  O26  1  0.769  0.654  0.402  1.0
  O  O27  1  0.346  0.231  0.098  1.0
  O  O28  1  0.386  0.974  0.622  1.0
  O  O29  1  0.026  0.614  0.878  1.0
  O  O30  1  0.614  0.026  0.378  1.0
  O  O31  1  0.974  0.386  0.122  1.0
  O  O32  1  0.373  0.144  0.824  1.0
  O  O33  1  0.856  0.627  0.676  1.0
  O  O34  1  0.627  0.856  0.176  1.0
  O  O35  1  0.144  0.373  0.324  1.0
  O  O36  1  0.855  0.291  0.610  1.0
  O  O37  1  0.709  0.145  0.890  1.0
  O  O38  1  0.145  0.709  0.390  1.0
  O  O39  1  0.291  0.855  0.110  1.0
[/CIF]
.
The material described by FeP3HO10NH4 crystallizes in the monoclinic C2/c space group. The structure consists of four ammonium molecules inside a FeP3HO10 framework. In the FeP3HO10 framework, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-48°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. H(3) is bonded in a linear geometry to two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeP3H5NO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.455
_cell_length_b   7.455
_cell_length_c   9.466
_cell_angle_alpha   71.888
_cell_angle_beta   71.888
_cell_angle_gamma   69.992
_symmetry_Int_Tables_number   1
_cell_volume   457.306
_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  0.500  0.500  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  P  P2  1  0.278  0.143  0.705  1.0
  P  P3  1  0.857  0.722  0.795  1.0
  P  P4  1  0.722  0.857  0.295  1.0
  P  P5  1  0.143  0.278  0.205  1.0
  P  P6  1  0.876  0.124  0.750  1.0
  P  P7  1  0.124  0.876  0.250  1.0
  H  H8  1  0.679  0.453  0.259  1.0
  H  H9  1  0.547  0.321  0.241  1.0
  H  H10  1  0.321  0.547  0.741  1.0
  H  H11  1  0.453  0.679  0.759  1.0
  H  H12  1  0.566  0.510  0.656  1.0
  H  H13  1  0.490  0.434  0.844  1.0
  H  H14  1  0.434  0.490  0.344  1.0
  H  H15  1  0.510  0.566  0.156  1.0
  H  H16  1  0.000  0.500  0.000  1.0
  H  H17  1  0.500  0.000  0.500  1.0
  N  N18  1  0.456  0.544  0.750  1.0
  N  N19  1  0.544  0.456  0.250  1.0
  O  O20  1  0.069  0.094  0.803  1.0
  O  O21  1  0.906  0.931  0.697  1.0
  O  O22  1  0.931  0.906  0.197  1.0
  O  O23  1  0.094  0.069  0.303  1.0
  O  O24  1  0.231  0.346  0.598  1.0
  O  O25  1  0.654  0.769  0.902  1.0
  O  O26  1  0.769  0.654  0.402  1.0
  O  O27  1  0.346  0.231  0.098  1.0
  O  O28  1  0.386  0.974  0.622  1.0
  O  O29  1  0.026  0.614  0.878  1.0
  O  O30  1  0.614  0.026  0.378  1.0
  O  O31  1  0.974  0.386  0.122  1.0
  O  O32  1  0.373  0.144  0.824  1.0
  O  O33  1  0.856  0.627  0.676  1.0
  O  O34  1  0.627  0.856  0.176  1.0
  O  O35  1  0.144  0.373  0.324  1.0
  O  O36  1  0.855  0.291  0.610  1.0
  O  O37  1  0.709  0.145  0.890  1.0
  O  O38  1  0.145  0.709  0.390  1.0
  O  O39  1  0.291  0.855  0.110  1.0
[/CIF]
.