The structure described by Fe3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(16), one O(3), one O(6), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(14), one O(2), one O(4), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(15), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(11), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-51°. In the second P site, P(2) is bonded to one O(13), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-51°. In the third P site, P(3) is bonded to one O(14), one O(16), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-43°. In the fourth P site, P(4) is bonded to one O(1), one O(12), one O(15), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one P(3) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(3) atom. is represented by the CIF file [CIF]
data_Fe3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.737
_cell_length_b   7.753
_cell_length_c   10.434
_cell_angle_alpha   90.000
_cell_angle_beta   94.182
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   624.245
_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  0.907  0.635  0.707  1.0
  Fe  Fe1  1  0.492  0.533  0.999  1.0
  Fe  Fe2  1  0.493  0.486  0.506  1.0
  Fe  Fe3  1  0.008  0.033  0.751  1.0
  Fe  Fe4  1  0.007  0.986  0.244  1.0
  Fe  Fe5  1  0.593  0.135  0.043  1.0
  P  P6  1  0.318  0.693  0.238  1.0
  P  P7  1  0.793  0.810  0.487  1.0
  P  P8  1  0.303  0.703  0.724  1.0
  P  P9  1  0.197  0.203  0.026  1.0
  P  P10  1  0.680  0.295  0.765  1.0
  P  P11  1  0.707  0.310  0.263  1.0
  P  P12  1  0.820  0.795  0.985  1.0
  P  P13  1  0.182  0.193  0.512  1.0
  O  O14  1  0.767  0.121  0.749  1.0
  O  O15  1  0.260  0.394  0.016  1.0
  O  O16  1  0.817  0.439  0.777  1.0
  O  O17  1  0.085  0.213  0.634  1.0
  O  O18  1  0.271  0.359  0.471  1.0
  O  O19  1  0.755  0.124  0.216  1.0
  O  O20  1  0.089  0.180  0.142  1.0
  O  O21  1  0.862  0.430  0.294  1.0
  O  O22  1  0.579  0.363  0.147  1.0
  O  O23  1  0.411  0.680  0.608  1.0
  O  O24  1  0.638  0.930  0.456  1.0
  O  O25  1  0.328  0.054  0.543  1.0
  O  O26  1  0.442  0.623  0.347  1.0
  O  O27  1  0.912  0.799  0.854  1.0
  O  O28  1  0.876  0.814  0.357  1.0
  O  O29  1  0.058  0.123  0.403  1.0
  O  O30  1  0.588  0.299  0.896  1.0
  O  O31  1  0.921  0.863  0.603  1.0
  O  O32  1  0.229  0.859  0.279  1.0
  O  O33  1  0.733  0.621  0.001  1.0
  O  O34  1  0.413  0.655  0.847  1.0
  O  O35  1  0.956  0.835  0.095  1.0
  O  O36  1  0.172  0.554  0.207  1.0
  O  O37  1  0.087  0.155  0.903  1.0
  O  O38  1  0.683  0.939  0.973  1.0
  O  O39  1  0.357  0.082  0.042  1.0
  O  O40  1  0.745  0.624  0.534  1.0
  O  O41  1  0.415  0.713  0.116  1.0
  O  O42  1  0.143  0.582  0.708  1.0
  O  O43  1  0.544  0.335  0.655  1.0
  O  O44  1  0.240  0.894  0.734  1.0
  O  O45  1  0.624  0.314  0.393  1.0
[/CIF]
.
The structure described by Fe3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(16), one O(3), one O(6), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(14), one O(2), one O(4), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(15), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(11), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-51°. In the second P site, P(2) is bonded to one O(13), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-51°. In the third P site, P(3) is bonded to one O(14), one O(16), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-43°. In the fourth P site, P(4) is bonded to one O(1), one O(12), one O(15), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one P(3) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(3) atom. is represented by the CIF file [CIF]
data_Fe3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.737
_cell_length_b   7.753
_cell_length_c   10.434
_cell_angle_alpha   90.000
_cell_angle_beta   94.182
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   624.245
_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  0.907  0.635  0.707  1.0
  Fe  Fe1  1  0.492  0.533  0.999  1.0
  Fe  Fe2  1  0.493  0.486  0.506  1.0
  Fe  Fe3  1  0.008  0.033  0.751  1.0
  Fe  Fe4  1  0.007  0.986  0.244  1.0
  Fe  Fe5  1  0.593  0.135  0.043  1.0
  P  P6  1  0.318  0.693  0.238  1.0
  P  P7  1  0.793  0.810  0.487  1.0
  P  P8  1  0.303  0.703  0.724  1.0
  P  P9  1  0.197  0.203  0.026  1.0
  P  P10  1  0.680  0.295  0.765  1.0
  P  P11  1  0.707  0.310  0.263  1.0
  P  P12  1  0.820  0.795  0.985  1.0
  P  P13  1  0.182  0.193  0.512  1.0
  O  O14  1  0.767  0.121  0.749  1.0
  O  O15  1  0.260  0.394  0.016  1.0
  O  O16  1  0.817  0.439  0.777  1.0
  O  O17  1  0.085  0.213  0.634  1.0
  O  O18  1  0.271  0.359  0.471  1.0
  O  O19  1  0.755  0.124  0.216  1.0
  O  O20  1  0.089  0.180  0.142  1.0
  O  O21  1  0.862  0.430  0.294  1.0
  O  O22  1  0.579  0.363  0.147  1.0
  O  O23  1  0.411  0.680  0.608  1.0
  O  O24  1  0.638  0.930  0.456  1.0
  O  O25  1  0.328  0.054  0.543  1.0
  O  O26  1  0.442  0.623  0.347  1.0
  O  O27  1  0.912  0.799  0.854  1.0
  O  O28  1  0.876  0.814  0.357  1.0
  O  O29  1  0.058  0.123  0.403  1.0
  O  O30  1  0.588  0.299  0.896  1.0
  O  O31  1  0.921  0.863  0.603  1.0
  O  O32  1  0.229  0.859  0.279  1.0
  O  O33  1  0.733  0.621  0.001  1.0
  O  O34  1  0.413  0.655  0.847  1.0
  O  O35  1  0.956  0.835  0.095  1.0
  O  O36  1  0.172  0.554  0.207  1.0
  O  O37  1  0.087  0.155  0.903  1.0
  O  O38  1  0.683  0.939  0.973  1.0
  O  O39  1  0.357  0.082  0.042  1.0
  O  O40  1  0.745  0.624  0.534  1.0
  O  O41  1  0.415  0.713  0.116  1.0
  O  O42  1  0.143  0.582  0.708  1.0
  O  O43  1  0.544  0.335  0.655  1.0
  O  O44  1  0.240  0.894  0.734  1.0
  O  O45  1  0.624  0.314  0.393  1.0
[/CIF]
.