The compound described by Fe3(PO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form FeO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra and corners with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 39°. 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(2)O6 octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-42°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the seventh O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. is represented by the CIF file [CIF]
data_Fe3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.134
_cell_length_b   8.537
_cell_length_c   15.736
_cell_angle_alpha   66.790
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.795
_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  0.823  0.197  1.0
  Fe  Fe1  1  0.593  0.823  0.697  1.0
  Fe  Fe2  1  0.407  0.177  0.303  1.0
  Fe  Fe3  1  0.093  0.177  0.803  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.500  0.000  1.0
  P  P6  1  0.441  0.078  0.116  1.0
  P  P7  1  0.004  0.475  0.148  1.0
  P  P8  1  0.059  0.078  0.616  1.0
  P  P9  1  0.996  0.525  0.852  1.0
  P  P10  1  0.496  0.475  0.648  1.0
  P  P11  1  0.941  0.922  0.384  1.0
  P  P12  1  0.559  0.922  0.884  1.0
  P  P13  1  0.504  0.525  0.352  1.0
  O  O14  1  0.432  0.251  0.033  1.0
  O  O15  1  0.932  0.749  0.467  1.0
  O  O16  1  0.721  0.449  0.122  1.0
  O  O17  1  0.221  0.551  0.378  1.0
  O  O18  1  0.809  0.025  0.881  1.0
  O  O19  1  0.691  0.025  0.381  1.0
  O  O20  1  0.817  0.487  0.937  1.0
  O  O21  1  0.401  0.314  0.729  1.0
  O  O22  1  0.523  0.370  0.325  1.0
  O  O23  1  0.068  0.251  0.533  1.0
  O  O24  1  0.568  0.749  0.967  1.0
  O  O25  1  0.599  0.686  0.271  1.0
  O  O26  1  0.317  0.513  0.563  1.0
  O  O27  1  0.023  0.630  0.175  1.0
  O  O28  1  0.683  0.487  0.437  1.0
  O  O29  1  0.099  0.314  0.229  1.0
  O  O30  1  0.901  0.686  0.771  1.0
  O  O31  1  0.183  0.513  0.063  1.0
  O  O32  1  0.831  0.970  0.603  1.0
  O  O33  1  0.669  0.970  0.103  1.0
  O  O34  1  0.477  0.630  0.675  1.0
  O  O35  1  0.309  0.975  0.619  1.0
  O  O36  1  0.279  0.551  0.878  1.0
  O  O37  1  0.012  0.104  0.706  1.0
  O  O38  1  0.191  0.975  0.119  1.0
  O  O39  1  0.488  0.104  0.206  1.0
  O  O40  1  0.779  0.449  0.622  1.0
  O  O41  1  0.512  0.896  0.794  1.0
  O  O42  1  0.977  0.370  0.825  1.0
  O  O43  1  0.988  0.896  0.294  1.0
  O  O44  1  0.331  0.030  0.897  1.0
  O  O45  1  0.169  0.030  0.397  1.0
[/CIF]
.
The compound described by Fe3(PO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form FeO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra and corners with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 39°. 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(2)O6 octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-42°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the seventh O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. is represented by the CIF file [CIF]
data_Fe3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.134
_cell_length_b   8.537
_cell_length_c   15.736
_cell_angle_alpha   66.790
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.795
_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  0.823  0.197  1.0
  Fe  Fe1  1  0.593  0.823  0.697  1.0
  Fe  Fe2  1  0.407  0.177  0.303  1.0
  Fe  Fe3  1  0.093  0.177  0.803  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.500  0.000  1.0
  P  P6  1  0.441  0.078  0.116  1.0
  P  P7  1  0.004  0.475  0.148  1.0
  P  P8  1  0.059  0.078  0.616  1.0
  P  P9  1  0.996  0.525  0.852  1.0
  P  P10  1  0.496  0.475  0.648  1.0
  P  P11  1  0.941  0.922  0.384  1.0
  P  P12  1  0.559  0.922  0.884  1.0
  P  P13  1  0.504  0.525  0.352  1.0
  O  O14  1  0.432  0.251  0.033  1.0
  O  O15  1  0.932  0.749  0.467  1.0
  O  O16  1  0.721  0.449  0.122  1.0
  O  O17  1  0.221  0.551  0.378  1.0
  O  O18  1  0.809  0.025  0.881  1.0
  O  O19  1  0.691  0.025  0.381  1.0
  O  O20  1  0.817  0.487  0.937  1.0
  O  O21  1  0.401  0.314  0.729  1.0
  O  O22  1  0.523  0.370  0.325  1.0
  O  O23  1  0.068  0.251  0.533  1.0
  O  O24  1  0.568  0.749  0.967  1.0
  O  O25  1  0.599  0.686  0.271  1.0
  O  O26  1  0.317  0.513  0.563  1.0
  O  O27  1  0.023  0.630  0.175  1.0
  O  O28  1  0.683  0.487  0.437  1.0
  O  O29  1  0.099  0.314  0.229  1.0
  O  O30  1  0.901  0.686  0.771  1.0
  O  O31  1  0.183  0.513  0.063  1.0
  O  O32  1  0.831  0.970  0.603  1.0
  O  O33  1  0.669  0.970  0.103  1.0
  O  O34  1  0.477  0.630  0.675  1.0
  O  O35  1  0.309  0.975  0.619  1.0
  O  O36  1  0.279  0.551  0.878  1.0
  O  O37  1  0.012  0.104  0.706  1.0
  O  O38  1  0.191  0.975  0.119  1.0
  O  O39  1  0.488  0.104  0.206  1.0
  O  O40  1  0.779  0.449  0.622  1.0
  O  O41  1  0.512  0.896  0.794  1.0
  O  O42  1  0.977  0.370  0.825  1.0
  O  O43  1  0.988  0.896  0.294  1.0
  O  O44  1  0.331  0.030  0.897  1.0
  O  O45  1  0.169  0.030  0.397  1.0
[/CIF]
.