The compound described by FePO4 is quartz (alpha)-derived structured and crystallizes in the orthorhombic Pca2_1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form FeO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with two equivalent Fe(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with two equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(2) 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 bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) atom. is represented by the CIF card [CIF]
data_FePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   10.423
_cell_length_c   14.315
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   781.616
_cell_formula_units_Z   8
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  0.069  0.037  0.247  1.0
  Fe  Fe1  1  0.553  0.220  0.999  1.0
  Fe  Fe2  1  0.553  0.280  0.499  1.0
  Fe  Fe3  1  0.069  0.463  0.747  1.0
  Fe  Fe4  1  0.931  0.537  0.247  1.0
  Fe  Fe5  1  0.447  0.720  0.999  1.0
  Fe  Fe6  1  0.447  0.780  0.499  1.0
  Fe  Fe7  1  0.931  0.963  0.747  1.0
  P  P8  1  0.428  0.031  0.624  1.0
  P  P9  1  0.054  0.212  0.872  1.0
  P  P10  1  0.054  0.288  0.372  1.0
  P  P11  1  0.428  0.469  0.124  1.0
  P  P12  1  0.572  0.531  0.624  1.0
  P  P13  1  0.946  0.712  0.872  1.0
  P  P14  1  0.946  0.788  0.372  1.0
  P  P15  1  0.572  0.969  0.124  1.0
  O  O16  1  0.858  0.992  0.146  1.0
  O  O17  1  0.499  0.049  0.037  1.0
  O  O18  1  0.411  0.011  0.210  1.0
  O  O19  1  0.010  0.069  0.850  1.0
  O  O20  1  0.473  0.174  0.602  1.0
  O  O21  1  0.891  0.251  0.458  1.0
  O  O22  1  0.983  0.206  0.285  1.0
  O  O23  1  0.338  0.238  0.895  1.0
  O  O24  1  0.338  0.262  0.395  1.0
  O  O25  1  0.983  0.294  0.785  1.0
  O  O26  1  0.891  0.249  0.958  1.0
  O  O27  1  0.473  0.326  0.102  1.0
  O  O28  1  0.010  0.431  0.350  1.0
  O  O29  1  0.411  0.489  0.710  1.0
  O  O30  1  0.499  0.451  0.537  1.0
  O  O31  1  0.858  0.508  0.646  1.0
  O  O32  1  0.142  0.492  0.146  1.0
  O  O33  1  0.501  0.549  0.037  1.0
  O  O34  1  0.589  0.511  0.210  1.0
  O  O35  1  0.990  0.569  0.850  1.0
  O  O36  1  0.527  0.674  0.602  1.0
  O  O37  1  0.109  0.751  0.458  1.0
  O  O38  1  0.017  0.706  0.285  1.0
  O  O39  1  0.662  0.738  0.895  1.0
  O  O40  1  0.662  0.762  0.395  1.0
  O  O41  1  0.017  0.794  0.785  1.0
  O  O42  1  0.109  0.749  0.958  1.0
  O  O43  1  0.527  0.826  0.102  1.0
  O  O44  1  0.990  0.931  0.350  1.0
  O  O45  1  0.589  0.989  0.710  1.0
  O  O46  1  0.501  0.951  0.537  1.0
  O  O47  1  0.142  0.008  0.646  1.0
[/CIF]
.
The compound described by FePO4 is quartz (alpha)-derived structured and crystallizes in the orthorhombic Pca2_1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form FeO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with two equivalent Fe(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with two equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(2) 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 bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) atom. is represented by the CIF card [CIF]
data_FePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   10.423
_cell_length_c   14.315
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   781.616
_cell_formula_units_Z   8
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  0.069  0.037  0.247  1.0
  Fe  Fe1  1  0.553  0.220  0.999  1.0
  Fe  Fe2  1  0.553  0.280  0.499  1.0
  Fe  Fe3  1  0.069  0.463  0.747  1.0
  Fe  Fe4  1  0.931  0.537  0.247  1.0
  Fe  Fe5  1  0.447  0.720  0.999  1.0
  Fe  Fe6  1  0.447  0.780  0.499  1.0
  Fe  Fe7  1  0.931  0.963  0.747  1.0
  P  P8  1  0.428  0.031  0.624  1.0
  P  P9  1  0.054  0.212  0.872  1.0
  P  P10  1  0.054  0.288  0.372  1.0
  P  P11  1  0.428  0.469  0.124  1.0
  P  P12  1  0.572  0.531  0.624  1.0
  P  P13  1  0.946  0.712  0.872  1.0
  P  P14  1  0.946  0.788  0.372  1.0
  P  P15  1  0.572  0.969  0.124  1.0
  O  O16  1  0.858  0.992  0.146  1.0
  O  O17  1  0.499  0.049  0.037  1.0
  O  O18  1  0.411  0.011  0.210  1.0
  O  O19  1  0.010  0.069  0.850  1.0
  O  O20  1  0.473  0.174  0.602  1.0
  O  O21  1  0.891  0.251  0.458  1.0
  O  O22  1  0.983  0.206  0.285  1.0
  O  O23  1  0.338  0.238  0.895  1.0
  O  O24  1  0.338  0.262  0.395  1.0
  O  O25  1  0.983  0.294  0.785  1.0
  O  O26  1  0.891  0.249  0.958  1.0
  O  O27  1  0.473  0.326  0.102  1.0
  O  O28  1  0.010  0.431  0.350  1.0
  O  O29  1  0.411  0.489  0.710  1.0
  O  O30  1  0.499  0.451  0.537  1.0
  O  O31  1  0.858  0.508  0.646  1.0
  O  O32  1  0.142  0.492  0.146  1.0
  O  O33  1  0.501  0.549  0.037  1.0
  O  O34  1  0.589  0.511  0.210  1.0
  O  O35  1  0.990  0.569  0.850  1.0
  O  O36  1  0.527  0.674  0.602  1.0
  O  O37  1  0.109  0.751  0.458  1.0
  O  O38  1  0.017  0.706  0.285  1.0
  O  O39  1  0.662  0.738  0.895  1.0
  O  O40  1  0.662  0.762  0.395  1.0
  O  O41  1  0.017  0.794  0.785  1.0
  O  O42  1  0.109  0.749  0.958  1.0
  O  O43  1  0.527  0.826  0.102  1.0
  O  O44  1  0.990  0.931  0.350  1.0
  O  O45  1  0.589  0.989  0.710  1.0
  O  O46  1  0.501  0.951  0.537  1.0
  O  O47  1  0.142  0.008  0.646  1.0
[/CIF]
.