The material described by FePO4 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted FeO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. 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 three equivalent Fe(1)O5 trigonal bipyramids and  an edgeedge with one Fe(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one 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   8.657
_cell_length_b   5.360
_cell_length_c   7.972
_cell_angle_alpha   65.050
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   335.392
_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  0.969  0.249  0.710  1.0
  Fe  Fe1  1  0.469  0.751  0.790  1.0
  Fe  Fe2  1  0.531  0.249  0.210  1.0
  Fe  Fe3  1  0.031  0.751  0.290  1.0
  P  P4  1  0.812  0.696  0.685  1.0
  P  P5  1  0.312  0.304  0.815  1.0
  P  P6  1  0.688  0.696  0.185  1.0
  P  P7  1  0.188  0.304  0.315  1.0
  O  O8  1  0.903  0.658  0.525  1.0
  O  O9  1  0.322  0.604  0.663  1.0
  O  O10  1  0.644  0.788  0.632  1.0
  O  O11  1  0.397  0.096  0.763  1.0
  O  O12  1  0.822  0.396  0.837  1.0
  O  O13  1  0.897  0.904  0.737  1.0
  O  O14  1  0.144  0.212  0.868  1.0
  O  O15  1  0.403  0.342  0.975  1.0
  O  O16  1  0.597  0.658  0.025  1.0
  O  O17  1  0.856  0.788  0.132  1.0
  O  O18  1  0.103  0.096  0.263  1.0
  O  O19  1  0.178  0.604  0.163  1.0
  O  O20  1  0.603  0.904  0.237  1.0
  O  O21  1  0.356  0.212  0.368  1.0
  O  O22  1  0.678  0.396  0.337  1.0
  O  O23  1  0.097  0.342  0.475  1.0
[/CIF]
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The material described by FePO4 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted FeO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. 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 three equivalent Fe(1)O5 trigonal bipyramids and  an edgeedge with one Fe(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one 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   8.657
_cell_length_b   5.360
_cell_length_c   7.972
_cell_angle_alpha   65.050
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   335.392
_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  0.969  0.249  0.710  1.0
  Fe  Fe1  1  0.469  0.751  0.790  1.0
  Fe  Fe2  1  0.531  0.249  0.210  1.0
  Fe  Fe3  1  0.031  0.751  0.290  1.0
  P  P4  1  0.812  0.696  0.685  1.0
  P  P5  1  0.312  0.304  0.815  1.0
  P  P6  1  0.688  0.696  0.185  1.0
  P  P7  1  0.188  0.304  0.315  1.0
  O  O8  1  0.903  0.658  0.525  1.0
  O  O9  1  0.322  0.604  0.663  1.0
  O  O10  1  0.644  0.788  0.632  1.0
  O  O11  1  0.397  0.096  0.763  1.0
  O  O12  1  0.822  0.396  0.837  1.0
  O  O13  1  0.897  0.904  0.737  1.0
  O  O14  1  0.144  0.212  0.868  1.0
  O  O15  1  0.403  0.342  0.975  1.0
  O  O16  1  0.597  0.658  0.025  1.0
  O  O17  1  0.856  0.788  0.132  1.0
  O  O18  1  0.103  0.096  0.263  1.0
  O  O19  1  0.178  0.604  0.163  1.0
  O  O20  1  0.603  0.904  0.237  1.0
  O  O21  1  0.356  0.212  0.368  1.0
  O  O22  1  0.678  0.396  0.337  1.0
  O  O23  1  0.097  0.342  0.475  1.0
[/CIF]
.