The structure described by FePO4 crystallizes in the trigonal P31c space group. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(6) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(4) and three equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(5) and three equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Fe(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one P(1) atom. is represented by the CIF card [CIF]
data_FePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.502
_cell_length_b   7.502
_cell_length_c   9.382
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   457.204
_cell_formula_units_Z   6
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  0.445  0.385  0.527  1.0
  Fe  Fe1  1  0.060  0.615  0.027  1.0
  Fe  Fe2  1  0.615  0.060  0.527  1.0
  Fe  Fe3  1  0.555  0.940  0.027  1.0
  Fe  Fe4  1  0.940  0.555  0.527  1.0
  Fe  Fe5  1  0.385  0.445  0.027  1.0
  P  P6  1  0.667  0.333  0.826  1.0
  P  P7  1  0.333  0.667  0.326  1.0
  P  P8  1  0.667  0.333  0.217  1.0
  P  P9  1  0.333  0.667  0.717  1.0
  P  P10  1  0.000  0.000  0.477  1.0
  P  P11  1  0.000  0.000  0.977  1.0
  O  O12  1  0.225  0.120  0.543  1.0
  O  O13  1  0.105  0.880  0.043  1.0
  O  O14  1  0.478  0.345  0.874  1.0
  O  O15  1  0.133  0.655  0.374  1.0
  O  O16  1  0.112  0.528  0.666  1.0
  O  O17  1  0.583  0.472  0.166  1.0
  O  O18  1  0.417  0.888  0.666  1.0
  O  O19  1  0.528  0.112  0.166  1.0
  O  O20  1  0.667  0.333  0.391  1.0
  O  O21  1  0.000  0.000  0.319  1.0
  O  O22  1  0.333  0.667  0.891  1.0
  O  O23  1  0.667  0.333  0.652  1.0
  O  O24  1  0.333  0.667  0.152  1.0
  O  O25  1  0.895  0.775  0.543  1.0
  O  O26  1  0.120  0.225  0.043  1.0
  O  O27  1  0.655  0.133  0.874  1.0
  O  O28  1  0.522  0.867  0.374  1.0
  O  O29  1  0.867  0.522  0.874  1.0
  O  O30  1  0.345  0.478  0.374  1.0
  O  O31  1  0.472  0.583  0.666  1.0
  O  O32  1  0.888  0.417  0.166  1.0
  O  O33  1  0.880  0.105  0.543  1.0
  O  O34  1  0.775  0.895  0.043  1.0
  O  O35  1  0.000  0.000  0.819  1.0
[/CIF]
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The structure described by FePO4 crystallizes in the trigonal P31c space group. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(6) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(4) and three equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(5) and three equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Fe(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one P(1) atom. is represented by the CIF card [CIF]
data_FePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.502
_cell_length_b   7.502
_cell_length_c   9.382
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   457.204
_cell_formula_units_Z   6
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  0.445  0.385  0.527  1.0
  Fe  Fe1  1  0.060  0.615  0.027  1.0
  Fe  Fe2  1  0.615  0.060  0.527  1.0
  Fe  Fe3  1  0.555  0.940  0.027  1.0
  Fe  Fe4  1  0.940  0.555  0.527  1.0
  Fe  Fe5  1  0.385  0.445  0.027  1.0
  P  P6  1  0.667  0.333  0.826  1.0
  P  P7  1  0.333  0.667  0.326  1.0
  P  P8  1  0.667  0.333  0.217  1.0
  P  P9  1  0.333  0.667  0.717  1.0
  P  P10  1  0.000  0.000  0.477  1.0
  P  P11  1  0.000  0.000  0.977  1.0
  O  O12  1  0.225  0.120  0.543  1.0
  O  O13  1  0.105  0.880  0.043  1.0
  O  O14  1  0.478  0.345  0.874  1.0
  O  O15  1  0.133  0.655  0.374  1.0
  O  O16  1  0.112  0.528  0.666  1.0
  O  O17  1  0.583  0.472  0.166  1.0
  O  O18  1  0.417  0.888  0.666  1.0
  O  O19  1  0.528  0.112  0.166  1.0
  O  O20  1  0.667  0.333  0.391  1.0
  O  O21  1  0.000  0.000  0.319  1.0
  O  O22  1  0.333  0.667  0.891  1.0
  O  O23  1  0.667  0.333  0.652  1.0
  O  O24  1  0.333  0.667  0.152  1.0
  O  O25  1  0.895  0.775  0.543  1.0
  O  O26  1  0.120  0.225  0.043  1.0
  O  O27  1  0.655  0.133  0.874  1.0
  O  O28  1  0.522  0.867  0.374  1.0
  O  O29  1  0.867  0.522  0.874  1.0
  O  O30  1  0.345  0.478  0.374  1.0
  O  O31  1  0.472  0.583  0.666  1.0
  O  O32  1  0.888  0.417  0.166  1.0
  O  O33  1  0.880  0.105  0.543  1.0
  O  O34  1  0.775  0.895  0.043  1.0
  O  O35  1  0.000  0.000  0.819  1.0
[/CIF]
.