The material described by FePO4 crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. There are three 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(1) 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 trigonal planar geometry to two 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   4.861
_cell_length_b   5.886
_cell_length_c   9.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   283.618
_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  0.049  0.750  0.274  1.0
  Fe  Fe1  1  0.451  0.750  0.774  1.0
  Fe  Fe2  1  0.951  0.250  0.726  1.0
  Fe  Fe3  1  0.549  0.250  0.226  1.0
  P  P4  1  0.599  0.750  0.094  1.0
  P  P5  1  0.901  0.750  0.594  1.0
  P  P6  1  0.401  0.250  0.906  1.0
  P  P7  1  0.099  0.250  0.406  1.0
  O  O8  1  0.289  0.750  0.120  1.0
  O  O9  1  0.211  0.750  0.620  1.0
  O  O10  1  0.711  0.250  0.880  1.0
  O  O11  1  0.789  0.250  0.380  1.0
  O  O12  1  0.847  0.750  0.443  1.0
  O  O13  1  0.653  0.750  0.943  1.0
  O  O14  1  0.153  0.250  0.557  1.0
  O  O15  1  0.347  0.250  0.057  1.0
  O  O16  1  0.747  0.546  0.167  1.0
  O  O17  1  0.753  0.954  0.667  1.0
  O  O18  1  0.253  0.046  0.833  1.0
  O  O19  1  0.247  0.454  0.333  1.0
  O  O20  1  0.253  0.454  0.833  1.0
  O  O21  1  0.247  0.046  0.333  1.0
  O  O22  1  0.747  0.954  0.167  1.0
  O  O23  1  0.753  0.546  0.667  1.0
[/CIF]
.
The material described by FePO4 crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. There are three 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(1) 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 trigonal planar geometry to two 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   4.861
_cell_length_b   5.886
_cell_length_c   9.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   283.618
_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  0.049  0.750  0.274  1.0
  Fe  Fe1  1  0.451  0.750  0.774  1.0
  Fe  Fe2  1  0.951  0.250  0.726  1.0
  Fe  Fe3  1  0.549  0.250  0.226  1.0
  P  P4  1  0.599  0.750  0.094  1.0
  P  P5  1  0.901  0.750  0.594  1.0
  P  P6  1  0.401  0.250  0.906  1.0
  P  P7  1  0.099  0.250  0.406  1.0
  O  O8  1  0.289  0.750  0.120  1.0
  O  O9  1  0.211  0.750  0.620  1.0
  O  O10  1  0.711  0.250  0.880  1.0
  O  O11  1  0.789  0.250  0.380  1.0
  O  O12  1  0.847  0.750  0.443  1.0
  O  O13  1  0.653  0.750  0.943  1.0
  O  O14  1  0.153  0.250  0.557  1.0
  O  O15  1  0.347  0.250  0.057  1.0
  O  O16  1  0.747  0.546  0.167  1.0
  O  O17  1  0.753  0.954  0.667  1.0
  O  O18  1  0.253  0.046  0.833  1.0
  O  O19  1  0.247  0.454  0.333  1.0
  O  O20  1  0.253  0.454  0.833  1.0
  O  O21  1  0.247  0.046  0.333  1.0
  O  O22  1  0.747  0.954  0.167  1.0
  O  O23  1  0.753  0.546  0.667  1.0
[/CIF]
.