The material structure described by Fe2(HPO3)3 crystallizes in the hexagonal P6_3/m space group. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent P(1)HO3 tetrahedra and  a faceface with one Fe(1)O6 octahedra. P(1) is bonded to one H(1), one O(2), and two equivalent O(1) atoms to form distorted PHO3 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. H(1) is bonded in a single-bond geometry to one P(1) atom. There are two 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 3-coordinate geometry to two equivalent Fe(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2P3(HO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.160
_cell_length_b   8.160
_cell_length_c   7.489
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   431.843
_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  0.333  0.667  0.951  1.0
  Fe  Fe1  1  0.667  0.333  0.451  1.0
  Fe  Fe2  1  0.667  0.333  0.049  1.0
  Fe  Fe3  1  0.333  0.667  0.549  1.0
  P  P4  1  0.357  0.047  0.750  1.0
  P  P5  1  0.310  0.357  0.250  1.0
  P  P6  1  0.047  0.690  0.250  1.0
  P  P7  1  0.953  0.310  0.750  1.0
  P  P8  1  0.690  0.643  0.750  1.0
  P  P9  1  0.643  0.953  0.250  1.0
  H  H10  1  0.818  0.838  0.750  1.0
  H  H11  1  0.980  0.818  0.250  1.0
  H  H12  1  0.838  0.020  0.250  1.0
  H  H13  1  0.162  0.980  0.750  1.0
  H  H14  1  0.020  0.182  0.750  1.0
  H  H15  1  0.182  0.162  0.250  1.0
  O  O16  1  0.565  0.838  0.422  1.0
  O  O17  1  0.727  0.565  0.922  1.0
  O  O18  1  0.838  0.273  0.922  1.0
  O  O19  1  0.162  0.727  0.422  1.0
  O  O20  1  0.513  0.383  0.250  1.0
  O  O21  1  0.130  0.513  0.750  1.0
  O  O22  1  0.383  0.870  0.750  1.0
  O  O23  1  0.617  0.130  0.250  1.0
  O  O24  1  0.870  0.487  0.250  1.0
  O  O25  1  0.487  0.617  0.750  1.0
  O  O26  1  0.565  0.838  0.078  1.0
  O  O27  1  0.727  0.565  0.578  1.0
  O  O28  1  0.838  0.273  0.578  1.0
  O  O29  1  0.162  0.727  0.078  1.0
  O  O30  1  0.273  0.435  0.078  1.0
  O  O31  1  0.435  0.162  0.578  1.0
  O  O32  1  0.435  0.162  0.922  1.0
  O  O33  1  0.273  0.435  0.422  1.0
[/CIF]
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The material structure described by Fe2(HPO3)3 crystallizes in the hexagonal P6_3/m space group. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent P(1)HO3 tetrahedra and  a faceface with one Fe(1)O6 octahedra. P(1) is bonded to one H(1), one O(2), and two equivalent O(1) atoms to form distorted PHO3 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. H(1) is bonded in a single-bond geometry to one P(1) atom. There are two 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 3-coordinate geometry to two equivalent Fe(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2P3(HO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.160
_cell_length_b   8.160
_cell_length_c   7.489
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   431.843
_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  0.333  0.667  0.951  1.0
  Fe  Fe1  1  0.667  0.333  0.451  1.0
  Fe  Fe2  1  0.667  0.333  0.049  1.0
  Fe  Fe3  1  0.333  0.667  0.549  1.0
  P  P4  1  0.357  0.047  0.750  1.0
  P  P5  1  0.310  0.357  0.250  1.0
  P  P6  1  0.047  0.690  0.250  1.0
  P  P7  1  0.953  0.310  0.750  1.0
  P  P8  1  0.690  0.643  0.750  1.0
  P  P9  1  0.643  0.953  0.250  1.0
  H  H10  1  0.818  0.838  0.750  1.0
  H  H11  1  0.980  0.818  0.250  1.0
  H  H12  1  0.838  0.020  0.250  1.0
  H  H13  1  0.162  0.980  0.750  1.0
  H  H14  1  0.020  0.182  0.750  1.0
  H  H15  1  0.182  0.162  0.250  1.0
  O  O16  1  0.565  0.838  0.422  1.0
  O  O17  1  0.727  0.565  0.922  1.0
  O  O18  1  0.838  0.273  0.922  1.0
  O  O19  1  0.162  0.727  0.422  1.0
  O  O20  1  0.513  0.383  0.250  1.0
  O  O21  1  0.130  0.513  0.750  1.0
  O  O22  1  0.383  0.870  0.750  1.0
  O  O23  1  0.617  0.130  0.250  1.0
  O  O24  1  0.870  0.487  0.250  1.0
  O  O25  1  0.487  0.617  0.750  1.0
  O  O26  1  0.565  0.838  0.078  1.0
  O  O27  1  0.727  0.565  0.578  1.0
  O  O28  1  0.838  0.273  0.578  1.0
  O  O29  1  0.162  0.727  0.078  1.0
  O  O30  1  0.273  0.435  0.078  1.0
  O  O31  1  0.435  0.162  0.578  1.0
  O  O32  1  0.435  0.162  0.922  1.0
  O  O33  1  0.273  0.435  0.422  1.0
[/CIF]
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