The material described by Fe(PO3)4 crystallizes in the monoclinic C2/c space group. Fe(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) 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 47°. In the second P site, P(2) is bonded to one O(2), one O(4), 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(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-47°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_Fe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.157
_cell_length_b   8.157
_cell_length_c   7.934
_cell_angle_alpha   82.561
_cell_angle_beta   82.561
_cell_angle_gamma   107.776
_symmetry_Int_Tables_number   1
_cell_volume   490.392
_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  0.867  0.133  0.750  1.0
  Fe  Fe1  1  0.133  0.867  0.250  1.0
  P  P2  1  0.572  0.257  0.620  1.0
  P  P3  1  0.743  0.428  0.880  1.0
  P  P4  1  0.044  0.210  0.326  1.0
  P  P5  1  0.257  0.572  0.120  1.0
  P  P6  1  0.428  0.743  0.380  1.0
  P  P7  1  0.956  0.790  0.674  1.0
  P  P8  1  0.790  0.956  0.174  1.0
  P  P9  1  0.210  0.044  0.826  1.0
  O  O10  1  0.663  0.383  0.063  1.0
  O  O11  1  0.869  0.131  0.250  1.0
  O  O12  1  0.131  0.869  0.750  1.0
  O  O13  1  0.116  0.656  0.184  1.0
  O  O14  1  0.008  0.270  0.492  1.0
  O  O15  1  0.155  0.365  0.173  1.0
  O  O16  1  0.344  0.884  0.316  1.0
  O  O17  1  0.076  0.142  0.831  1.0
  O  O18  1  0.142  0.076  0.331  1.0
  O  O19  1  0.395  0.605  0.250  1.0
  O  O20  1  0.337  0.617  0.937  1.0
  O  O21  1  0.383  0.663  0.563  1.0
  O  O22  1  0.270  0.008  0.992  1.0
  O  O23  1  0.635  0.845  0.327  1.0
  O  O24  1  0.365  0.155  0.673  1.0
  O  O25  1  0.992  0.730  0.508  1.0
  O  O26  1  0.617  0.337  0.437  1.0
  O  O27  1  0.730  0.992  0.008  1.0
  O  O28  1  0.605  0.395  0.750  1.0
  O  O29  1  0.858  0.924  0.669  1.0
  O  O30  1  0.924  0.858  0.169  1.0
  O  O31  1  0.656  0.116  0.684  1.0
  O  O32  1  0.845  0.635  0.827  1.0
  O  O33  1  0.884  0.344  0.816  1.0
[/CIF]
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The material described by Fe(PO3)4 crystallizes in the monoclinic C2/c space group. Fe(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) 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 47°. In the second P site, P(2) is bonded to one O(2), one O(4), 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(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-47°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_Fe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.157
_cell_length_b   8.157
_cell_length_c   7.934
_cell_angle_alpha   82.561
_cell_angle_beta   82.561
_cell_angle_gamma   107.776
_symmetry_Int_Tables_number   1
_cell_volume   490.392
_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  0.867  0.133  0.750  1.0
  Fe  Fe1  1  0.133  0.867  0.250  1.0
  P  P2  1  0.572  0.257  0.620  1.0
  P  P3  1  0.743  0.428  0.880  1.0
  P  P4  1  0.044  0.210  0.326  1.0
  P  P5  1  0.257  0.572  0.120  1.0
  P  P6  1  0.428  0.743  0.380  1.0
  P  P7  1  0.956  0.790  0.674  1.0
  P  P8  1  0.790  0.956  0.174  1.0
  P  P9  1  0.210  0.044  0.826  1.0
  O  O10  1  0.663  0.383  0.063  1.0
  O  O11  1  0.869  0.131  0.250  1.0
  O  O12  1  0.131  0.869  0.750  1.0
  O  O13  1  0.116  0.656  0.184  1.0
  O  O14  1  0.008  0.270  0.492  1.0
  O  O15  1  0.155  0.365  0.173  1.0
  O  O16  1  0.344  0.884  0.316  1.0
  O  O17  1  0.076  0.142  0.831  1.0
  O  O18  1  0.142  0.076  0.331  1.0
  O  O19  1  0.395  0.605  0.250  1.0
  O  O20  1  0.337  0.617  0.937  1.0
  O  O21  1  0.383  0.663  0.563  1.0
  O  O22  1  0.270  0.008  0.992  1.0
  O  O23  1  0.635  0.845  0.327  1.0
  O  O24  1  0.365  0.155  0.673  1.0
  O  O25  1  0.992  0.730  0.508  1.0
  O  O26  1  0.617  0.337  0.437  1.0
  O  O27  1  0.730  0.992  0.008  1.0
  O  O28  1  0.605  0.395  0.750  1.0
  O  O29  1  0.858  0.924  0.669  1.0
  O  O30  1  0.924  0.858  0.169  1.0
  O  O31  1  0.656  0.116  0.684  1.0
  O  O32  1  0.845  0.635  0.827  1.0
  O  O33  1  0.884  0.344  0.816  1.0
[/CIF]
.