The material structure described by Fe2(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(4), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. In the second P site, P(2) is bonded to one O(11), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-45°. In the third P site, P(3) is bonded to one O(12), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-44°. There are twelve 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 150 degrees geometry to one Fe(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(3) 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 bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. is represented by the CIF card [CIF]
data_Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.113
_cell_length_b   8.106
_cell_length_c   8.562
_cell_angle_alpha   118.088
_cell_angle_beta   118.056
_cell_angle_gamma   59.989
_symmetry_Int_Tables_number   1
_cell_volume   409.293
_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  0.860  0.358  0.077  1.0
  Fe  Fe1  1  0.647  0.149  0.444  1.0
  Fe  Fe2  1  0.353  0.851  0.556  1.0
  Fe  Fe3  1  0.140  0.642  0.923  1.0
  P  P4  1  0.534  0.749  0.252  1.0
  P  P5  1  0.248  0.469  0.253  1.0
  P  P6  1  0.752  0.531  0.747  1.0
  P  P7  1  0.466  0.251  0.748  1.0
  P  P8  1  0.032  0.967  0.749  1.0
  P  P9  1  0.968  0.033  0.251  1.0
  O  O10  1  0.744  0.607  0.234  1.0
  O  O11  1  0.825  0.986  0.596  1.0
  O  O12  1  0.818  0.007  0.293  1.0
  O  O13  1  0.884  0.246  0.238  1.0
  O  O14  1  0.175  0.014  0.404  1.0
  O  O15  1  0.182  0.993  0.707  1.0
  O  O16  1  0.116  0.754  0.762  1.0
  O  O17  1  0.509  0.966  0.297  1.0
  O  O18  1  0.218  0.671  0.414  1.0
  O  O19  1  0.375  0.697  0.065  1.0
  O  O20  1  0.191  0.498  0.067  1.0
  O  O21  1  0.106  0.386  0.239  1.0
  O  O22  1  0.521  0.710  0.408  1.0
  O  O23  1  0.536  0.686  0.712  1.0
  O  O24  1  0.782  0.329  0.586  1.0
  O  O25  1  0.012  0.121  0.940  1.0
  O  O26  1  0.988  0.879  0.060  1.0
  O  O27  1  0.256  0.393  0.766  1.0
  O  O28  1  0.464  0.314  0.288  1.0
  O  O29  1  0.479  0.290  0.592  1.0
  O  O30  1  0.894  0.614  0.761  1.0
  O  O31  1  0.809  0.502  0.933  1.0
  O  O32  1  0.625  0.303  0.935  1.0
  O  O33  1  0.491  0.034  0.703  1.0
[/CIF]
.
The material structure described by Fe2(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(4), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. In the second P site, P(2) is bonded to one O(11), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-45°. In the third P site, P(3) is bonded to one O(12), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-44°. There are twelve 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 150 degrees geometry to one Fe(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(3) 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 bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. is represented by the CIF card [CIF]
data_Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.113
_cell_length_b   8.106
_cell_length_c   8.562
_cell_angle_alpha   118.088
_cell_angle_beta   118.056
_cell_angle_gamma   59.989
_symmetry_Int_Tables_number   1
_cell_volume   409.293
_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  0.860  0.358  0.077  1.0
  Fe  Fe1  1  0.647  0.149  0.444  1.0
  Fe  Fe2  1  0.353  0.851  0.556  1.0
  Fe  Fe3  1  0.140  0.642  0.923  1.0
  P  P4  1  0.534  0.749  0.252  1.0
  P  P5  1  0.248  0.469  0.253  1.0
  P  P6  1  0.752  0.531  0.747  1.0
  P  P7  1  0.466  0.251  0.748  1.0
  P  P8  1  0.032  0.967  0.749  1.0
  P  P9  1  0.968  0.033  0.251  1.0
  O  O10  1  0.744  0.607  0.234  1.0
  O  O11  1  0.825  0.986  0.596  1.0
  O  O12  1  0.818  0.007  0.293  1.0
  O  O13  1  0.884  0.246  0.238  1.0
  O  O14  1  0.175  0.014  0.404  1.0
  O  O15  1  0.182  0.993  0.707  1.0
  O  O16  1  0.116  0.754  0.762  1.0
  O  O17  1  0.509  0.966  0.297  1.0
  O  O18  1  0.218  0.671  0.414  1.0
  O  O19  1  0.375  0.697  0.065  1.0
  O  O20  1  0.191  0.498  0.067  1.0
  O  O21  1  0.106  0.386  0.239  1.0
  O  O22  1  0.521  0.710  0.408  1.0
  O  O23  1  0.536  0.686  0.712  1.0
  O  O24  1  0.782  0.329  0.586  1.0
  O  O25  1  0.012  0.121  0.940  1.0
  O  O26  1  0.988  0.879  0.060  1.0
  O  O27  1  0.256  0.393  0.766  1.0
  O  O28  1  0.464  0.314  0.288  1.0
  O  O29  1  0.479  0.290  0.592  1.0
  O  O30  1  0.894  0.614  0.761  1.0
  O  O31  1  0.809  0.502  0.933  1.0
  O  O32  1  0.625  0.303  0.935  1.0
  O  O33  1  0.491  0.034  0.703  1.0
[/CIF]
.