The crystal structure described by Fe3(PO4)2 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(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted FeO6 pentagonal pyramids that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 pentagonal pyramids, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-66°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 pentagonal pyramids, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 pentagonal pyramids, and edges with two equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 pentagonal pyramids,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Fe(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate 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 trigonal planar geometry to one Fe(1), one Fe(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Fe3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.780
_cell_length_b   6.010
_cell_length_c   10.354
_cell_angle_alpha   89.066
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.427
_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  0.483  0.237  0.219  1.0
  Fe  Fe1  1  0.983  0.763  0.281  1.0
  Fe  Fe2  1  0.517  0.763  0.781  1.0
  Fe  Fe3  1  0.017  0.237  0.719  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.000  0.500  0.000  1.0
  P  P6  1  0.935  0.260  0.400  1.0
  P  P7  1  0.435  0.740  0.100  1.0
  P  P8  1  0.065  0.740  0.600  1.0
  P  P9  1  0.565  0.260  0.900  1.0
  O  O10  1  0.682  0.253  0.038  1.0
  O  O11  1  0.182  0.747  0.462  1.0
  O  O12  1  0.318  0.747  0.962  1.0
  O  O13  1  0.818  0.253  0.538  1.0
  O  O14  1  0.746  0.722  0.602  1.0
  O  O15  1  0.246  0.278  0.898  1.0
  O  O16  1  0.254  0.278  0.398  1.0
  O  O17  1  0.754  0.722  0.102  1.0
  O  O18  1  0.791  0.470  0.336  1.0
  O  O19  1  0.291  0.530  0.164  1.0
  O  O20  1  0.674  0.068  0.818  1.0
  O  O21  1  0.174  0.932  0.682  1.0
  O  O22  1  0.326  0.932  0.182  1.0
  O  O23  1  0.826  0.068  0.318  1.0
  O  O24  1  0.709  0.470  0.836  1.0
  O  O25  1  0.209  0.530  0.664  1.0
[/CIF]
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The crystal structure described by Fe3(PO4)2 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(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted FeO6 pentagonal pyramids that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 pentagonal pyramids, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-66°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 pentagonal pyramids, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 pentagonal pyramids, and edges with two equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 pentagonal pyramids,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Fe(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate 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 trigonal planar geometry to one Fe(1), one Fe(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Fe3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.780
_cell_length_b   6.010
_cell_length_c   10.354
_cell_angle_alpha   89.066
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.427
_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  0.483  0.237  0.219  1.0
  Fe  Fe1  1  0.983  0.763  0.281  1.0
  Fe  Fe2  1  0.517  0.763  0.781  1.0
  Fe  Fe3  1  0.017  0.237  0.719  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.000  0.500  0.000  1.0
  P  P6  1  0.935  0.260  0.400  1.0
  P  P7  1  0.435  0.740  0.100  1.0
  P  P8  1  0.065  0.740  0.600  1.0
  P  P9  1  0.565  0.260  0.900  1.0
  O  O10  1  0.682  0.253  0.038  1.0
  O  O11  1  0.182  0.747  0.462  1.0
  O  O12  1  0.318  0.747  0.962  1.0
  O  O13  1  0.818  0.253  0.538  1.0
  O  O14  1  0.746  0.722  0.602  1.0
  O  O15  1  0.246  0.278  0.898  1.0
  O  O16  1  0.254  0.278  0.398  1.0
  O  O17  1  0.754  0.722  0.102  1.0
  O  O18  1  0.791  0.470  0.336  1.0
  O  O19  1  0.291  0.530  0.164  1.0
  O  O20  1  0.674  0.068  0.818  1.0
  O  O21  1  0.174  0.932  0.682  1.0
  O  O22  1  0.326  0.932  0.182  1.0
  O  O23  1  0.826  0.068  0.318  1.0
  O  O24  1  0.709  0.470  0.836  1.0
  O  O25  1  0.209  0.530  0.664  1.0
[/CIF]
.