The material 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(11), one O(13), one O(7), and one O(9) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(4), one O(5), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(14), one O(15), one O(16), one O(3), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(12), one O(14), and one O(15) atom to form PO4 tetrahedra that share corners with two equivalent Fe(2)O5 trigonal bipyramids and corners with two equivalent Fe(3)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(13), one O(16), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(11), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. 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(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(3) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) 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 120 degrees geometry to one Fe(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Fe(3) and one P(3) atom. is represented by the CIF card [CIF]
data_Fe3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.810
_cell_length_b   6.012
_cell_length_c   8.887
_cell_angle_alpha   79.600
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   620.617
_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  0.086  0.889  0.757  1.0
  Fe  Fe1  1  0.928  0.570  0.277  1.0
  Fe  Fe2  1  0.203  0.131  0.361  1.0
  Fe  Fe3  1  0.428  0.430  0.723  1.0
  Fe  Fe4  1  0.586  0.111  0.243  1.0
  Fe  Fe5  1  0.703  0.869  0.639  1.0
  P  P6  1  0.863  0.629  0.912  1.0
  P  P7  1  0.414  0.963  0.604  1.0
  P  P8  1  0.363  0.371  0.088  1.0
  P  P9  1  0.092  0.430  0.586  1.0
  P  P10  1  0.914  0.037  0.396  1.0
  P  P11  1  0.630  0.142  0.899  1.0
  P  P12  1  0.130  0.858  0.101  1.0
  P  P13  1  0.592  0.570  0.414  1.0
  O  O14  1  0.888  0.264  0.289  1.0
  O  O15  1  0.562  0.919  0.901  1.0
  O  O16  1  0.219  0.901  0.221  1.0
  O  O17  1  0.481  0.502  0.507  1.0
  O  O18  1  0.563  0.359  0.837  1.0
  O  O19  1  0.332  0.375  0.918  1.0
  O  O20  1  0.388  0.736  0.711  1.0
  O  O21  1  0.444  0.175  0.150  1.0
  O  O22  1  0.757  0.650  0.810  1.0
  O  O23  1  0.575  0.787  0.292  1.0
  O  O24  1  0.918  0.393  0.923  1.0
  O  O25  1  0.177  0.846  0.942  1.0
  O  O26  1  0.944  0.825  0.850  1.0
  O  O27  1  0.832  0.625  0.082  1.0
  O  O28  1  0.376  0.141  0.699  1.0
  O  O29  1  0.125  0.631  0.665  1.0
  O  O30  1  0.876  0.859  0.301  1.0
  O  O31  1  0.336  0.989  0.463  1.0
  O  O32  1  0.042  0.018  0.440  1.0
  O  O33  1  0.687  0.619  0.524  1.0
  O  O34  1  0.075  0.213  0.708  1.0
  O  O35  1  0.187  0.381  0.476  1.0
  O  O36  1  0.063  0.641  0.163  1.0
  O  O37  1  0.062  0.081  0.099  1.0
  O  O38  1  0.981  0.498  0.493  1.0
  O  O39  1  0.418  0.607  0.077  1.0
  O  O40  1  0.625  0.369  0.335  1.0
  O  O41  1  0.677  0.154  0.058  1.0
  O  O42  1  0.257  0.350  0.190  1.0
  O  O43  1  0.719  0.099  0.779  1.0
  O  O44  1  0.836  0.011  0.537  1.0
  O  O45  1  0.542  0.982  0.560  1.0
[/CIF]
.
The material 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(11), one O(13), one O(7), and one O(9) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(4), one O(5), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(14), one O(15), one O(16), one O(3), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(12), one O(14), and one O(15) atom to form PO4 tetrahedra that share corners with two equivalent Fe(2)O5 trigonal bipyramids and corners with two equivalent Fe(3)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(13), one O(16), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(11), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. 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(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(3) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) 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 120 degrees geometry to one Fe(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Fe(3) and one P(3) atom. is represented by the CIF card [CIF]
data_Fe3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.810
_cell_length_b   6.012
_cell_length_c   8.887
_cell_angle_alpha   79.600
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   620.617
_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  0.086  0.889  0.757  1.0
  Fe  Fe1  1  0.928  0.570  0.277  1.0
  Fe  Fe2  1  0.203  0.131  0.361  1.0
  Fe  Fe3  1  0.428  0.430  0.723  1.0
  Fe  Fe4  1  0.586  0.111  0.243  1.0
  Fe  Fe5  1  0.703  0.869  0.639  1.0
  P  P6  1  0.863  0.629  0.912  1.0
  P  P7  1  0.414  0.963  0.604  1.0
  P  P8  1  0.363  0.371  0.088  1.0
  P  P9  1  0.092  0.430  0.586  1.0
  P  P10  1  0.914  0.037  0.396  1.0
  P  P11  1  0.630  0.142  0.899  1.0
  P  P12  1  0.130  0.858  0.101  1.0
  P  P13  1  0.592  0.570  0.414  1.0
  O  O14  1  0.888  0.264  0.289  1.0
  O  O15  1  0.562  0.919  0.901  1.0
  O  O16  1  0.219  0.901  0.221  1.0
  O  O17  1  0.481  0.502  0.507  1.0
  O  O18  1  0.563  0.359  0.837  1.0
  O  O19  1  0.332  0.375  0.918  1.0
  O  O20  1  0.388  0.736  0.711  1.0
  O  O21  1  0.444  0.175  0.150  1.0
  O  O22  1  0.757  0.650  0.810  1.0
  O  O23  1  0.575  0.787  0.292  1.0
  O  O24  1  0.918  0.393  0.923  1.0
  O  O25  1  0.177  0.846  0.942  1.0
  O  O26  1  0.944  0.825  0.850  1.0
  O  O27  1  0.832  0.625  0.082  1.0
  O  O28  1  0.376  0.141  0.699  1.0
  O  O29  1  0.125  0.631  0.665  1.0
  O  O30  1  0.876  0.859  0.301  1.0
  O  O31  1  0.336  0.989  0.463  1.0
  O  O32  1  0.042  0.018  0.440  1.0
  O  O33  1  0.687  0.619  0.524  1.0
  O  O34  1  0.075  0.213  0.708  1.0
  O  O35  1  0.187  0.381  0.476  1.0
  O  O36  1  0.063  0.641  0.163  1.0
  O  O37  1  0.062  0.081  0.099  1.0
  O  O38  1  0.981  0.498  0.493  1.0
  O  O39  1  0.418  0.607  0.077  1.0
  O  O40  1  0.625  0.369  0.335  1.0
  O  O41  1  0.677  0.154  0.058  1.0
  O  O42  1  0.257  0.350  0.190  1.0
  O  O43  1  0.719  0.099  0.779  1.0
  O  O44  1  0.836  0.011  0.537  1.0
  O  O45  1  0.542  0.982  0.560  1.0
[/CIF]
.