The structure described by Fe4(PO5)3 crystallizes in the monoclinic C2/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), one O(3), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. In the second Fe site, Fe(2) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-50°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one P(1) atom. In the fifth O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one P(2) atom. In the sixth O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the seventh O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. In the eighth O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe4(PO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.658
_cell_length_b   10.658
_cell_length_c   7.265
_cell_angle_alpha   79.697
_cell_angle_beta   79.697
_cell_angle_gamma   41.418
_symmetry_Int_Tables_number   1
_cell_volume   535.900
_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  0.656  0.182  0.653  1.0
  Fe  Fe1  1  0.818  0.344  0.847  1.0
  Fe  Fe2  1  0.344  0.818  0.347  1.0
  Fe  Fe3  1  0.182  0.656  0.153  1.0
  Fe  Fe4  1  0.184  0.156  0.646  1.0
  Fe  Fe5  1  0.844  0.816  0.854  1.0
  Fe  Fe6  1  0.816  0.844  0.354  1.0
  Fe  Fe7  1  0.156  0.184  0.146  1.0
  P  P8  1  0.463  0.200  0.087  1.0
  P  P9  1  0.800  0.537  0.413  1.0
  P  P10  1  0.537  0.800  0.913  1.0
  P  P11  1  0.200  0.463  0.587  1.0
  P  P12  1  0.879  0.121  0.250  1.0
  P  P13  1  0.121  0.879  0.750  1.0
  O  O14  1  0.652  0.348  0.750  1.0
  O  O15  1  0.348  0.652  0.250  1.0
  O  O16  1  0.047  0.264  0.903  1.0
  O  O17  1  0.736  0.953  0.597  1.0
  O  O18  1  0.953  0.736  0.097  1.0
  O  O19  1  0.264  0.047  0.403  1.0
  O  O20  1  0.228  0.740  0.922  1.0
  O  O21  1  0.260  0.772  0.578  1.0
  O  O22  1  0.772  0.260  0.078  1.0
  O  O23  1  0.740  0.228  0.422  1.0
  O  O24  1  0.390  0.384  0.604  1.0
  O  O25  1  0.616  0.610  0.896  1.0
  O  O26  1  0.610  0.616  0.396  1.0
  O  O27  1  0.384  0.390  0.104  1.0
  O  O28  1  0.429  0.938  0.740  1.0
  O  O29  1  0.062  0.571  0.760  1.0
  O  O30  1  0.571  0.062  0.260  1.0
  O  O31  1  0.938  0.429  0.240  1.0
  O  O32  1  0.614  0.105  0.914  1.0
  O  O33  1  0.895  0.386  0.586  1.0
  O  O34  1  0.386  0.895  0.086  1.0
  O  O35  1  0.105  0.614  0.414  1.0
  O  O36  1  0.063  0.062  0.751  1.0
  O  O37  1  0.938  0.937  0.749  1.0
  O  O38  1  0.937  0.938  0.249  1.0
  O  O39  1  0.062  0.063  0.251  1.0
  O  O40  1  0.224  0.307  0.557  1.0
  O  O41  1  0.693  0.776  0.943  1.0
  O  O42  1  0.776  0.693  0.443  1.0
  O  O43  1  0.307  0.224  0.057  1.0
[/CIF]
.
The structure described by Fe4(PO5)3 crystallizes in the monoclinic C2/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), one O(3), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. In the second Fe site, Fe(2) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-50°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one P(1) atom. In the fifth O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one P(2) atom. In the sixth O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the seventh O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. In the eighth O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe4(PO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.658
_cell_length_b   10.658
_cell_length_c   7.265
_cell_angle_alpha   79.697
_cell_angle_beta   79.697
_cell_angle_gamma   41.418
_symmetry_Int_Tables_number   1
_cell_volume   535.900
_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  0.656  0.182  0.653  1.0
  Fe  Fe1  1  0.818  0.344  0.847  1.0
  Fe  Fe2  1  0.344  0.818  0.347  1.0
  Fe  Fe3  1  0.182  0.656  0.153  1.0
  Fe  Fe4  1  0.184  0.156  0.646  1.0
  Fe  Fe5  1  0.844  0.816  0.854  1.0
  Fe  Fe6  1  0.816  0.844  0.354  1.0
  Fe  Fe7  1  0.156  0.184  0.146  1.0
  P  P8  1  0.463  0.200  0.087  1.0
  P  P9  1  0.800  0.537  0.413  1.0
  P  P10  1  0.537  0.800  0.913  1.0
  P  P11  1  0.200  0.463  0.587  1.0
  P  P12  1  0.879  0.121  0.250  1.0
  P  P13  1  0.121  0.879  0.750  1.0
  O  O14  1  0.652  0.348  0.750  1.0
  O  O15  1  0.348  0.652  0.250  1.0
  O  O16  1  0.047  0.264  0.903  1.0
  O  O17  1  0.736  0.953  0.597  1.0
  O  O18  1  0.953  0.736  0.097  1.0
  O  O19  1  0.264  0.047  0.403  1.0
  O  O20  1  0.228  0.740  0.922  1.0
  O  O21  1  0.260  0.772  0.578  1.0
  O  O22  1  0.772  0.260  0.078  1.0
  O  O23  1  0.740  0.228  0.422  1.0
  O  O24  1  0.390  0.384  0.604  1.0
  O  O25  1  0.616  0.610  0.896  1.0
  O  O26  1  0.610  0.616  0.396  1.0
  O  O27  1  0.384  0.390  0.104  1.0
  O  O28  1  0.429  0.938  0.740  1.0
  O  O29  1  0.062  0.571  0.760  1.0
  O  O30  1  0.571  0.062  0.260  1.0
  O  O31  1  0.938  0.429  0.240  1.0
  O  O32  1  0.614  0.105  0.914  1.0
  O  O33  1  0.895  0.386  0.586  1.0
  O  O34  1  0.386  0.895  0.086  1.0
  O  O35  1  0.105  0.614  0.414  1.0
  O  O36  1  0.063  0.062  0.751  1.0
  O  O37  1  0.938  0.937  0.749  1.0
  O  O38  1  0.937  0.938  0.249  1.0
  O  O39  1  0.062  0.063  0.251  1.0
  O  O40  1  0.224  0.307  0.557  1.0
  O  O41  1  0.693  0.776  0.943  1.0
  O  O42  1  0.776  0.693  0.443  1.0
  O  O43  1  0.307  0.224  0.057  1.0
[/CIF]
.