The compound described by FeH2PO4 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 1333-74-0 atoms inside a FeHPO4 framework. In the FeHPO4 framework, Fe(1) is bonded to one H(2), one O(1), one O(2), one O(3), and one O(4) atom to form distorted FeHO4 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra. 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 four equivalent Fe(1)HO4 trigonal bipyramids. H(2) is bonded in a single-bond geometry to one Fe(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) 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. is represented by the CIF card [CIF]
data_FeP(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.433
_cell_length_b   5.334
_cell_length_c   10.645
_cell_angle_alpha   61.621
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   471.259
_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  0.313  0.916  0.161  1.0
  Fe  Fe1  1  0.687  0.084  0.839  1.0
  Fe  Fe2  1  0.813  0.084  0.339  1.0
  Fe  Fe3  1  0.187  0.916  0.661  1.0
  P  P4  1  0.653  0.730  0.187  1.0
  P  P5  1  0.347  0.270  0.813  1.0
  P  P6  1  0.153  0.270  0.313  1.0
  P  P7  1  0.847  0.730  0.687  1.0
  H  H8  1  0.874  0.337  0.062  1.0
  H  H9  1  0.126  0.663  0.938  1.0
  H  H10  1  0.374  0.663  0.438  1.0
  H  H11  1  0.626  0.337  0.562  1.0
  H  H12  1  0.921  0.876  0.312  1.0
  H  H13  1  0.079  0.124  0.688  1.0
  H  H14  1  0.421  0.124  0.188  1.0
  H  H15  1  0.579  0.876  0.812  1.0
  O  O16  1  0.693  0.924  0.252  1.0
  O  O17  1  0.307  0.076  0.748  1.0
  O  O18  1  0.193  0.076  0.248  1.0
  O  O19  1  0.807  0.924  0.752  1.0
  O  O20  1  0.489  0.731  0.176  1.0
  O  O21  1  0.511  0.269  0.824  1.0
  O  O22  1  0.989  0.269  0.324  1.0
  O  O23  1  0.011  0.731  0.676  1.0
  O  O24  1  0.700  0.422  0.282  1.0
  O  O25  1  0.300  0.578  0.718  1.0
  O  O26  1  0.200  0.578  0.218  1.0
  O  O27  1  0.800  0.422  0.782  1.0
  O  O28  1  0.719  0.847  0.036  1.0
  O  O29  1  0.281  0.153  0.964  1.0
  O  O30  1  0.219  0.153  0.464  1.0
  O  O31  1  0.781  0.847  0.536  1.0
[/CIF]
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The compound described by FeH2PO4 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 1333-74-0 atoms inside a FeHPO4 framework. In the FeHPO4 framework, Fe(1) is bonded to one H(2), one O(1), one O(2), one O(3), and one O(4) atom to form distorted FeHO4 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra. 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 four equivalent Fe(1)HO4 trigonal bipyramids. H(2) is bonded in a single-bond geometry to one Fe(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) 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. is represented by the CIF card [CIF]
data_FeP(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.433
_cell_length_b   5.334
_cell_length_c   10.645
_cell_angle_alpha   61.621
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   471.259
_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  0.313  0.916  0.161  1.0
  Fe  Fe1  1  0.687  0.084  0.839  1.0
  Fe  Fe2  1  0.813  0.084  0.339  1.0
  Fe  Fe3  1  0.187  0.916  0.661  1.0
  P  P4  1  0.653  0.730  0.187  1.0
  P  P5  1  0.347  0.270  0.813  1.0
  P  P6  1  0.153  0.270  0.313  1.0
  P  P7  1  0.847  0.730  0.687  1.0
  H  H8  1  0.874  0.337  0.062  1.0
  H  H9  1  0.126  0.663  0.938  1.0
  H  H10  1  0.374  0.663  0.438  1.0
  H  H11  1  0.626  0.337  0.562  1.0
  H  H12  1  0.921  0.876  0.312  1.0
  H  H13  1  0.079  0.124  0.688  1.0
  H  H14  1  0.421  0.124  0.188  1.0
  H  H15  1  0.579  0.876  0.812  1.0
  O  O16  1  0.693  0.924  0.252  1.0
  O  O17  1  0.307  0.076  0.748  1.0
  O  O18  1  0.193  0.076  0.248  1.0
  O  O19  1  0.807  0.924  0.752  1.0
  O  O20  1  0.489  0.731  0.176  1.0
  O  O21  1  0.511  0.269  0.824  1.0
  O  O22  1  0.989  0.269  0.324  1.0
  O  O23  1  0.011  0.731  0.676  1.0
  O  O24  1  0.700  0.422  0.282  1.0
  O  O25  1  0.300  0.578  0.718  1.0
  O  O26  1  0.200  0.578  0.218  1.0
  O  O27  1  0.800  0.422  0.782  1.0
  O  O28  1  0.719  0.847  0.036  1.0
  O  O29  1  0.281  0.153  0.964  1.0
  O  O30  1  0.219  0.153  0.464  1.0
  O  O31  1  0.781  0.847  0.536  1.0
[/CIF]
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