The crystal structure described by Fe3(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(6), and one O(8) atom to form distorted FeO5 square pyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(3), and two equivalent O(7) atoms to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O5 square pyramid, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Fe(2)O5 trigonal bipyramids. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(8), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O5 square pyramids and corners with three equivalent Fe(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O5 square pyramids and corners with two equivalent Fe(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Fe(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Fe(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(2) atom. is represented by the CIF card [CIF]
data_Fe3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.347
_cell_length_b   6.267
_cell_length_c   9.008
_cell_angle_alpha   80.191
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   631.192
_cell_formula_units_Z   4
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  0.918  0.665  0.725  1.0
  Fe  Fe1  1  0.082  0.335  0.275  1.0
  Fe  Fe2  1  0.194  0.118  0.637  1.0
  Fe  Fe3  1  0.806  0.882  0.363  1.0
  Fe  Fe4  1  0.306  0.618  0.637  1.0
  Fe  Fe5  1  0.883  0.124  0.926  1.0
  Fe  Fe6  1  0.582  0.165  0.725  1.0
  Fe  Fe7  1  0.694  0.382  0.363  1.0
  Fe  Fe8  1  0.418  0.835  0.275  1.0
  Fe  Fe9  1  0.383  0.376  0.074  1.0
  Fe  Fe10  1  0.117  0.876  0.074  1.0
  Fe  Fe11  1  0.617  0.624  0.926  1.0
  P  P12  1  0.587  0.692  0.603  1.0
  P  P13  1  0.087  0.808  0.397  1.0
  P  P14  1  0.913  0.192  0.603  1.0
  P  P15  1  0.865  0.611  0.095  1.0
  P  P16  1  0.365  0.889  0.905  1.0
  P  P17  1  0.635  0.111  0.095  1.0
  P  P18  1  0.135  0.389  0.905  1.0
  P  P19  1  0.413  0.308  0.397  1.0
  O  O20  1  0.962  0.765  0.467  1.0
  O  O21  1  0.561  0.906  0.133  1.0
  O  O22  1  0.679  0.674  0.480  1.0
  O  O23  1  0.087  0.018  0.276  1.0
  O  O24  1  0.937  0.827  0.074  1.0
  O  O25  1  0.462  0.735  0.533  1.0
  O  O26  1  0.376  0.133  0.302  1.0
  O  O27  1  0.413  0.518  0.276  1.0
  O  O28  1  0.222  0.372  0.772  1.0
  O  O29  1  0.563  0.327  0.074  1.0
  O  O30  1  0.294  0.891  0.053  1.0
  O  O31  1  0.794  0.609  0.947  1.0
  O  O32  1  0.538  0.265  0.467  1.0
  O  O33  1  0.939  0.406  0.133  1.0
  O  O34  1  0.206  0.391  0.053  1.0
  O  O35  1  0.706  0.109  0.947  1.0
  O  O36  1  0.321  0.326  0.520  1.0
  O  O37  1  0.778  0.628  0.228  1.0
  O  O38  1  0.038  0.235  0.533  1.0
  O  O39  1  0.722  0.128  0.228  1.0
  O  O40  1  0.179  0.826  0.520  1.0
  O  O41  1  0.124  0.633  0.302  1.0
  O  O42  1  0.821  0.174  0.480  1.0
  O  O43  1  0.063  0.173  0.926  1.0
  O  O44  1  0.913  0.982  0.724  1.0
  O  O45  1  0.437  0.673  0.926  1.0
  O  O46  1  0.278  0.872  0.772  1.0
  O  O47  1  0.624  0.867  0.698  1.0
  O  O48  1  0.876  0.367  0.698  1.0
  O  O49  1  0.439  0.094  0.867  1.0
  O  O50  1  0.587  0.482  0.724  1.0
  O  O51  1  0.061  0.594  0.867  1.0
[/CIF]
.
The crystal structure described by Fe3(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(6), and one O(8) atom to form distorted FeO5 square pyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(3), and two equivalent O(7) atoms to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O5 square pyramid, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Fe(2)O5 trigonal bipyramids. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(8), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O5 square pyramids and corners with three equivalent Fe(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O5 square pyramids and corners with two equivalent Fe(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Fe(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Fe(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(2) atom. is represented by the CIF card [CIF]
data_Fe3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.347
_cell_length_b   6.267
_cell_length_c   9.008
_cell_angle_alpha   80.191
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   631.192
_cell_formula_units_Z   4
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  0.918  0.665  0.725  1.0
  Fe  Fe1  1  0.082  0.335  0.275  1.0
  Fe  Fe2  1  0.194  0.118  0.637  1.0
  Fe  Fe3  1  0.806  0.882  0.363  1.0
  Fe  Fe4  1  0.306  0.618  0.637  1.0
  Fe  Fe5  1  0.883  0.124  0.926  1.0
  Fe  Fe6  1  0.582  0.165  0.725  1.0
  Fe  Fe7  1  0.694  0.382  0.363  1.0
  Fe  Fe8  1  0.418  0.835  0.275  1.0
  Fe  Fe9  1  0.383  0.376  0.074  1.0
  Fe  Fe10  1  0.117  0.876  0.074  1.0
  Fe  Fe11  1  0.617  0.624  0.926  1.0
  P  P12  1  0.587  0.692  0.603  1.0
  P  P13  1  0.087  0.808  0.397  1.0
  P  P14  1  0.913  0.192  0.603  1.0
  P  P15  1  0.865  0.611  0.095  1.0
  P  P16  1  0.365  0.889  0.905  1.0
  P  P17  1  0.635  0.111  0.095  1.0
  P  P18  1  0.135  0.389  0.905  1.0
  P  P19  1  0.413  0.308  0.397  1.0
  O  O20  1  0.962  0.765  0.467  1.0
  O  O21  1  0.561  0.906  0.133  1.0
  O  O22  1  0.679  0.674  0.480  1.0
  O  O23  1  0.087  0.018  0.276  1.0
  O  O24  1  0.937  0.827  0.074  1.0
  O  O25  1  0.462  0.735  0.533  1.0
  O  O26  1  0.376  0.133  0.302  1.0
  O  O27  1  0.413  0.518  0.276  1.0
  O  O28  1  0.222  0.372  0.772  1.0
  O  O29  1  0.563  0.327  0.074  1.0
  O  O30  1  0.294  0.891  0.053  1.0
  O  O31  1  0.794  0.609  0.947  1.0
  O  O32  1  0.538  0.265  0.467  1.0
  O  O33  1  0.939  0.406  0.133  1.0
  O  O34  1  0.206  0.391  0.053  1.0
  O  O35  1  0.706  0.109  0.947  1.0
  O  O36  1  0.321  0.326  0.520  1.0
  O  O37  1  0.778  0.628  0.228  1.0
  O  O38  1  0.038  0.235  0.533  1.0
  O  O39  1  0.722  0.128  0.228  1.0
  O  O40  1  0.179  0.826  0.520  1.0
  O  O41  1  0.124  0.633  0.302  1.0
  O  O42  1  0.821  0.174  0.480  1.0
  O  O43  1  0.063  0.173  0.926  1.0
  O  O44  1  0.913  0.982  0.724  1.0
  O  O45  1  0.437  0.673  0.926  1.0
  O  O46  1  0.278  0.872  0.772  1.0
  O  O47  1  0.624  0.867  0.698  1.0
  O  O48  1  0.876  0.367  0.698  1.0
  O  O49  1  0.439  0.094  0.867  1.0
  O  O50  1  0.587  0.482  0.724  1.0
  O  O51  1  0.061  0.594  0.867  1.0
[/CIF]
.