The compound described by Fe3(PO5)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 two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. 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 corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-47°. There are five 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 bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Fe3(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.407
_cell_length_b   7.389
_cell_length_c   7.480
_cell_angle_alpha   61.042
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   358.239
_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  0.500  0.500  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.225  0.778  0.736  1.0
  Fe  Fe3  1  0.725  0.722  0.264  1.0
  Fe  Fe4  1  0.775  0.222  0.264  1.0
  Fe  Fe5  1  0.275  0.278  0.736  1.0
  P  P6  1  0.373  0.002  0.252  1.0
  P  P7  1  0.873  0.498  0.748  1.0
  P  P8  1  0.627  0.998  0.748  1.0
  P  P9  1  0.127  0.502  0.252  1.0
  O  O10  1  0.499  0.192  0.200  1.0
  O  O11  1  0.999  0.308  0.800  1.0
  O  O12  1  0.501  0.808  0.800  1.0
  O  O13  1  0.001  0.692  0.200  1.0
  O  O14  1  0.487  0.824  0.267  1.0
  O  O15  1  0.987  0.676  0.733  1.0
  O  O16  1  0.513  0.176  0.733  1.0
  O  O17  1  0.013  0.324  0.267  1.0
  O  O18  1  0.261  0.582  0.069  1.0
  O  O19  1  0.761  0.918  0.931  1.0
  O  O20  1  0.739  0.418  0.931  1.0
  O  O21  1  0.239  0.082  0.069  1.0
  O  O22  1  0.234  0.441  0.447  1.0
  O  O23  1  0.734  0.059  0.553  1.0
  O  O24  1  0.766  0.559  0.553  1.0
  O  O25  1  0.266  0.941  0.447  1.0
  O  O26  1  0.355  0.503  0.789  1.0
  O  O27  1  0.855  0.997  0.211  1.0
  O  O28  1  0.645  0.497  0.211  1.0
  O  O29  1  0.145  0.003  0.789  1.0
[/CIF]
.
The compound described by Fe3(PO5)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 two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. 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 corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-47°. There are five 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 bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Fe3(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.407
_cell_length_b   7.389
_cell_length_c   7.480
_cell_angle_alpha   61.042
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   358.239
_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  0.500  0.500  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.225  0.778  0.736  1.0
  Fe  Fe3  1  0.725  0.722  0.264  1.0
  Fe  Fe4  1  0.775  0.222  0.264  1.0
  Fe  Fe5  1  0.275  0.278  0.736  1.0
  P  P6  1  0.373  0.002  0.252  1.0
  P  P7  1  0.873  0.498  0.748  1.0
  P  P8  1  0.627  0.998  0.748  1.0
  P  P9  1  0.127  0.502  0.252  1.0
  O  O10  1  0.499  0.192  0.200  1.0
  O  O11  1  0.999  0.308  0.800  1.0
  O  O12  1  0.501  0.808  0.800  1.0
  O  O13  1  0.001  0.692  0.200  1.0
  O  O14  1  0.487  0.824  0.267  1.0
  O  O15  1  0.987  0.676  0.733  1.0
  O  O16  1  0.513  0.176  0.733  1.0
  O  O17  1  0.013  0.324  0.267  1.0
  O  O18  1  0.261  0.582  0.069  1.0
  O  O19  1  0.761  0.918  0.931  1.0
  O  O20  1  0.739  0.418  0.931  1.0
  O  O21  1  0.239  0.082  0.069  1.0
  O  O22  1  0.234  0.441  0.447  1.0
  O  O23  1  0.734  0.059  0.553  1.0
  O  O24  1  0.766  0.559  0.553  1.0
  O  O25  1  0.266  0.941  0.447  1.0
  O  O26  1  0.355  0.503  0.789  1.0
  O  O27  1  0.855  0.997  0.211  1.0
  O  O28  1  0.645  0.497  0.211  1.0
  O  O29  1  0.145  0.003  0.789  1.0
[/CIF]
.