The compound described by Fe(PO3)4 crystallizes in the monoclinic C2/m space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), 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(3), one O(5), and one O(7) 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 43-46°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) 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 42°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 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(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the seventh O site, O(7) is bonded in a bent 150 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   5.168
_cell_length_b   10.444
_cell_length_c   10.444
_cell_angle_alpha   72.649
_cell_angle_beta   96.022
_cell_angle_gamma   96.022
_symmetry_Int_Tables_number   1
_cell_volume   533.523
_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  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.500  0.000  1.0
  P  P2  1  0.470  0.299  0.058  1.0
  P  P3  1  0.187  0.789  0.358  1.0
  P  P4  1  0.530  0.942  0.701  1.0
  P  P5  1  0.470  0.058  0.299  1.0
  P  P6  1  0.187  0.358  0.789  1.0
  P  P7  1  0.813  0.211  0.642  1.0
  P  P8  1  0.813  0.642  0.211  1.0
  P  P9  1  0.530  0.701  0.942  1.0
  O  O10  1  0.760  0.068  0.329  1.0
  O  O11  1  0.970  0.551  0.167  1.0
  O  O12  1  0.240  0.671  0.932  1.0
  O  O13  1  0.377  0.912  0.278  1.0
  O  O14  1  0.664  0.332  0.570  1.0
  O  O15  1  0.304  0.394  0.089  1.0
  O  O16  1  0.000  0.769  0.231  1.0
  O  O17  1  0.696  0.911  0.606  1.0
  O  O18  1  0.030  0.833  0.449  1.0
  O  O19  1  0.760  0.329  0.068  1.0
  O  O20  1  0.970  0.167  0.551  1.0
  O  O21  1  0.399  0.148  0.148  1.0
  O  O22  1  0.601  0.852  0.852  1.0
  O  O23  1  0.240  0.932  0.671  1.0
  O  O24  1  0.623  0.722  0.088  1.0
  O  O25  1  0.000  0.231  0.769  1.0
  O  O26  1  0.336  0.430  0.668  1.0
  O  O27  1  0.304  0.089  0.394  1.0
  O  O28  1  0.030  0.449  0.833  1.0
  O  O29  1  0.696  0.606  0.911  1.0
  O  O30  1  0.336  0.668  0.430  1.0
  O  O31  1  0.623  0.088  0.722  1.0
  O  O32  1  0.377  0.278  0.912  1.0
  O  O33  1  0.664  0.570  0.332  1.0
[/CIF]
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The compound described by Fe(PO3)4 crystallizes in the monoclinic C2/m space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), 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(3), one O(5), and one O(7) 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 43-46°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) 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 42°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 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(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the seventh O site, O(7) is bonded in a bent 150 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   5.168
_cell_length_b   10.444
_cell_length_c   10.444
_cell_angle_alpha   72.649
_cell_angle_beta   96.022
_cell_angle_gamma   96.022
_symmetry_Int_Tables_number   1
_cell_volume   533.523
_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  0.000  0.500  1.0
  Fe  Fe1  1  0.000  0.500  0.000  1.0
  P  P2  1  0.470  0.299  0.058  1.0
  P  P3  1  0.187  0.789  0.358  1.0
  P  P4  1  0.530  0.942  0.701  1.0
  P  P5  1  0.470  0.058  0.299  1.0
  P  P6  1  0.187  0.358  0.789  1.0
  P  P7  1  0.813  0.211  0.642  1.0
  P  P8  1  0.813  0.642  0.211  1.0
  P  P9  1  0.530  0.701  0.942  1.0
  O  O10  1  0.760  0.068  0.329  1.0
  O  O11  1  0.970  0.551  0.167  1.0
  O  O12  1  0.240  0.671  0.932  1.0
  O  O13  1  0.377  0.912  0.278  1.0
  O  O14  1  0.664  0.332  0.570  1.0
  O  O15  1  0.304  0.394  0.089  1.0
  O  O16  1  0.000  0.769  0.231  1.0
  O  O17  1  0.696  0.911  0.606  1.0
  O  O18  1  0.030  0.833  0.449  1.0
  O  O19  1  0.760  0.329  0.068  1.0
  O  O20  1  0.970  0.167  0.551  1.0
  O  O21  1  0.399  0.148  0.148  1.0
  O  O22  1  0.601  0.852  0.852  1.0
  O  O23  1  0.240  0.932  0.671  1.0
  O  O24  1  0.623  0.722  0.088  1.0
  O  O25  1  0.000  0.231  0.769  1.0
  O  O26  1  0.336  0.430  0.668  1.0
  O  O27  1  0.304  0.089  0.394  1.0
  O  O28  1  0.030  0.449  0.833  1.0
  O  O29  1  0.696  0.606  0.911  1.0
  O  O30  1  0.336  0.668  0.430  1.0
  O  O31  1  0.623  0.088  0.722  1.0
  O  O32  1  0.377  0.278  0.912  1.0
  O  O33  1  0.664  0.570  0.332  1.0
[/CIF]
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