The material structure described by FePO4 crystallizes in the triclinic P-1 space group. Fe(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form FeO5 trigonal bipyramids that share corners with five equivalent 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 five equivalent Fe(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted 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   5.313
_cell_length_b   5.257
_cell_length_c   6.326
_cell_angle_alpha   86.207
_cell_angle_beta   106.050
_cell_angle_gamma   113.446
_symmetry_Int_Tables_number   1
_cell_volume   155.574
_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  0.253  0.805  0.292  1.0
  Fe  Fe1  1  0.747  0.195  0.708  1.0
  P  P2  1  0.875  0.173  0.232  1.0
  P  P3  1  0.125  0.827  0.768  1.0
  O  O4  1  0.136  0.424  0.353  1.0
  O  O5  1  0.350  0.910  0.632  1.0
  O  O6  1  0.955  0.926  0.225  1.0
  O  O7  1  0.742  0.244  0.003  1.0
  O  O8  1  0.258  0.756  0.997  1.0
  O  O9  1  0.045  0.074  0.775  1.0
  O  O10  1  0.650  0.090  0.368  1.0
  O  O11  1  0.864  0.576  0.647  1.0
[/CIF]
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The material structure described by FePO4 crystallizes in the triclinic P-1 space group. Fe(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form FeO5 trigonal bipyramids that share corners with five equivalent 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 five equivalent Fe(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted 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   5.313
_cell_length_b   5.257
_cell_length_c   6.326
_cell_angle_alpha   86.207
_cell_angle_beta   106.050
_cell_angle_gamma   113.446
_symmetry_Int_Tables_number   1
_cell_volume   155.574
_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  0.253  0.805  0.292  1.0
  Fe  Fe1  1  0.747  0.195  0.708  1.0
  P  P2  1  0.875  0.173  0.232  1.0
  P  P3  1  0.125  0.827  0.768  1.0
  O  O4  1  0.136  0.424  0.353  1.0
  O  O5  1  0.350  0.910  0.632  1.0
  O  O6  1  0.955  0.926  0.225  1.0
  O  O7  1  0.742  0.244  0.003  1.0
  O  O8  1  0.258  0.756  0.997  1.0
  O  O9  1  0.045  0.074  0.775  1.0
  O  O10  1  0.650  0.090  0.368  1.0
  O  O11  1  0.864  0.576  0.647  1.0
[/CIF]
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