The material structure described by Fe(PO3)3 crystallizes in the triclinic P-1 space group. Fe(1) is bonded to one O(1), one O(2), one O(4), one O(9), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-45°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-63°. In the third P site, P(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Fe(1) and one P(2) atom. is represented by the CIF file [CIF]
data_Fe(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.702
_cell_length_b   6.898
_cell_length_c   7.362
_cell_angle_alpha   101.591
_cell_angle_beta   93.151
_cell_angle_gamma   93.790
_symmetry_Int_Tables_number   1
_cell_volume   331.866
_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  0.835  0.903  0.144  1.0
  Fe  Fe1  1  0.165  0.097  0.856  1.0
  O  O2  1  0.950  0.145  0.324  1.0
  O  O3  1  0.050  0.855  0.676  1.0
  O  O4  1  0.869  0.758  0.350  1.0
  O  O5  1  0.131  0.242  0.650  1.0
  O  O6  1  0.830  0.081  0.940  1.0
  O  O7  1  0.170  0.919  0.060  1.0
  O  O8  1  0.819  0.662  0.954  1.0
  O  O9  1  0.181  0.338  0.046  1.0
  O  O10  1  0.702  0.969  0.605  1.0
  O  O11  1  0.298  0.031  0.395  1.0
  O  O12  1  0.744  0.606  0.605  1.0
  O  O13  1  0.256  0.394  0.395  1.0
  O  O14  1  0.717  0.325  0.751  1.0
  O  O15  1  0.283  0.675  0.249  1.0
  O  O16  1  0.549  0.418  0.187  1.0
  O  O17  1  0.451  0.582  0.813  1.0
  O  O18  1  0.547  0.921  0.163  1.0
  O  O19  1  0.453  0.079  0.837  1.0
  P  P20  1  0.856  0.796  0.557  1.0
  P  P21  1  0.144  0.204  0.443  1.0
  P  P22  1  0.667  0.116  0.798  1.0
  P  P23  1  0.333  0.884  0.202  1.0
  P  P24  1  0.665  0.556  0.800  1.0
  P  P25  1  0.335  0.444  0.200  1.0
[/CIF]
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The material structure described by Fe(PO3)3 crystallizes in the triclinic P-1 space group. Fe(1) is bonded to one O(1), one O(2), one O(4), one O(9), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-45°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-63°. In the third P site, P(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Fe(1) and one P(2) atom. is represented by the CIF file [CIF]
data_Fe(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.702
_cell_length_b   6.898
_cell_length_c   7.362
_cell_angle_alpha   101.591
_cell_angle_beta   93.151
_cell_angle_gamma   93.790
_symmetry_Int_Tables_number   1
_cell_volume   331.866
_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  0.835  0.903  0.144  1.0
  Fe  Fe1  1  0.165  0.097  0.856  1.0
  O  O2  1  0.950  0.145  0.324  1.0
  O  O3  1  0.050  0.855  0.676  1.0
  O  O4  1  0.869  0.758  0.350  1.0
  O  O5  1  0.131  0.242  0.650  1.0
  O  O6  1  0.830  0.081  0.940  1.0
  O  O7  1  0.170  0.919  0.060  1.0
  O  O8  1  0.819  0.662  0.954  1.0
  O  O9  1  0.181  0.338  0.046  1.0
  O  O10  1  0.702  0.969  0.605  1.0
  O  O11  1  0.298  0.031  0.395  1.0
  O  O12  1  0.744  0.606  0.605  1.0
  O  O13  1  0.256  0.394  0.395  1.0
  O  O14  1  0.717  0.325  0.751  1.0
  O  O15  1  0.283  0.675  0.249  1.0
  O  O16  1  0.549  0.418  0.187  1.0
  O  O17  1  0.451  0.582  0.813  1.0
  O  O18  1  0.547  0.921  0.163  1.0
  O  O19  1  0.453  0.079  0.837  1.0
  P  P20  1  0.856  0.796  0.557  1.0
  P  P21  1  0.144  0.204  0.443  1.0
  P  P22  1  0.667  0.116  0.798  1.0
  P  P23  1  0.333  0.884  0.202  1.0
  P  P24  1  0.665  0.556  0.800  1.0
  P  P25  1  0.335  0.444  0.200  1.0
[/CIF]
.