The structure described by Li2Fe3(PO4)3 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(12), two equivalent O(4), and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(3), one O(8), and two equivalent O(11) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(11), one O(4), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) 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 39-47°. In the second P site, P(2) is bonded to two equivalent O(2) and two equivalent O(7) atoms 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 39-49°. In the third P site, P(3) is bonded to two equivalent O(6) and two equivalent O(8) atoms 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 28-36°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), 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 18-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Fe(3), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Fe(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Fe(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Fe(1), one Fe(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Fe(1), one Fe(3), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to two equivalent Li(3), one Fe(1), one Fe(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one P(4) atom. is represented by the CIF file [CIF]
data_Li2Fe3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.509
_cell_length_b   8.509
_cell_length_c   8.369
_cell_angle_alpha   64.174
_cell_angle_beta   64.174
_cell_angle_gamma   63.621
_symmetry_Int_Tables_number   1
_cell_volume   466.034
_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
  Li  Li0  1  0.357  0.643  0.500  1.0
  Li  Li1  1  0.656  0.344  0.000  1.0
  Li  Li2  1  0.250  0.153  0.597  1.0
  Li  Li3  1  0.847  0.750  0.403  1.0
  Fe  Fe4  1  0.502  0.004  0.243  1.0
  Fe  Fe5  1  0.143  0.646  0.896  1.0
  Fe  Fe6  1  0.656  0.153  0.401  1.0
  Fe  Fe7  1  0.996  0.498  0.757  1.0
  Fe  Fe8  1  0.354  0.857  0.104  1.0
  Fe  Fe9  1  0.847  0.344  0.599  1.0
  P  P10  1  0.752  0.559  0.189  1.0
  P  P11  1  0.441  0.248  0.811  1.0
  P  P12  1  0.058  0.942  0.500  1.0
  P  P13  1  0.957  0.043  0.000  1.0
  P  P14  1  0.541  0.748  0.699  1.0
  P  P15  1  0.252  0.459  0.301  1.0
  O  O16  1  0.597  0.310  0.786  1.0
  O  O17  1  0.032  0.097  0.565  1.0
  O  O18  1  0.818  0.528  0.348  1.0
  O  O19  1  0.589  0.745  0.186  1.0
  O  O20  1  0.690  0.403  0.214  1.0
  O  O21  1  0.905  0.578  0.996  1.0
  O  O22  1  0.422  0.095  0.004  1.0
  O  O23  1  0.255  0.411  0.814  1.0
  O  O24  1  0.110  0.999  0.076  1.0
  O  O25  1  0.083  0.745  0.649  1.0
  O  O26  1  0.761  0.062  0.149  1.0
  O  O27  1  0.482  0.815  0.864  1.0
  O  O28  1  0.472  0.182  0.652  1.0
  O  O29  1  0.255  0.917  0.351  1.0
  O  O30  1  0.938  0.239  0.851  1.0
  O  O31  1  0.903  0.968  0.435  1.0
  O  O32  1  0.735  0.598  0.690  1.0
  O  O33  1  0.566  0.899  0.504  1.0
  O  O34  1  0.101  0.434  0.496  1.0
  O  O35  1  0.320  0.609  0.282  1.0
  O  O36  1  0.402  0.265  0.310  1.0
  O  O37  1  0.185  0.518  0.136  1.0
  O  O38  1  0.001  0.890  0.924  1.0
  O  O39  1  0.391  0.680  0.718  1.0
[/CIF]
.
The structure described by Li2Fe3(PO4)3 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(12), two equivalent O(4), and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(3), one O(8), and two equivalent O(11) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(11), one O(4), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) 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 39-47°. In the second P site, P(2) is bonded to two equivalent O(2) and two equivalent O(7) atoms 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 39-49°. In the third P site, P(3) is bonded to two equivalent O(6) and two equivalent O(8) atoms 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 28-36°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), 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 18-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Fe(3), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Fe(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Fe(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Fe(1), one Fe(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Fe(1), one Fe(3), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to two equivalent Li(3), one Fe(1), one Fe(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one P(4) atom. is represented by the CIF file [CIF]
data_Li2Fe3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.509
_cell_length_b   8.509
_cell_length_c   8.369
_cell_angle_alpha   64.174
_cell_angle_beta   64.174
_cell_angle_gamma   63.621
_symmetry_Int_Tables_number   1
_cell_volume   466.034
_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
  Li  Li0  1  0.357  0.643  0.500  1.0
  Li  Li1  1  0.656  0.344  0.000  1.0
  Li  Li2  1  0.250  0.153  0.597  1.0
  Li  Li3  1  0.847  0.750  0.403  1.0
  Fe  Fe4  1  0.502  0.004  0.243  1.0
  Fe  Fe5  1  0.143  0.646  0.896  1.0
  Fe  Fe6  1  0.656  0.153  0.401  1.0
  Fe  Fe7  1  0.996  0.498  0.757  1.0
  Fe  Fe8  1  0.354  0.857  0.104  1.0
  Fe  Fe9  1  0.847  0.344  0.599  1.0
  P  P10  1  0.752  0.559  0.189  1.0
  P  P11  1  0.441  0.248  0.811  1.0
  P  P12  1  0.058  0.942  0.500  1.0
  P  P13  1  0.957  0.043  0.000  1.0
  P  P14  1  0.541  0.748  0.699  1.0
  P  P15  1  0.252  0.459  0.301  1.0
  O  O16  1  0.597  0.310  0.786  1.0
  O  O17  1  0.032  0.097  0.565  1.0
  O  O18  1  0.818  0.528  0.348  1.0
  O  O19  1  0.589  0.745  0.186  1.0
  O  O20  1  0.690  0.403  0.214  1.0
  O  O21  1  0.905  0.578  0.996  1.0
  O  O22  1  0.422  0.095  0.004  1.0
  O  O23  1  0.255  0.411  0.814  1.0
  O  O24  1  0.110  0.999  0.076  1.0
  O  O25  1  0.083  0.745  0.649  1.0
  O  O26  1  0.761  0.062  0.149  1.0
  O  O27  1  0.482  0.815  0.864  1.0
  O  O28  1  0.472  0.182  0.652  1.0
  O  O29  1  0.255  0.917  0.351  1.0
  O  O30  1  0.938  0.239  0.851  1.0
  O  O31  1  0.903  0.968  0.435  1.0
  O  O32  1  0.735  0.598  0.690  1.0
  O  O33  1  0.566  0.899  0.504  1.0
  O  O34  1  0.101  0.434  0.496  1.0
  O  O35  1  0.320  0.609  0.282  1.0
  O  O36  1  0.402  0.265  0.310  1.0
  O  O37  1  0.185  0.518  0.136  1.0
  O  O38  1  0.001  0.890  0.924  1.0
  O  O39  1  0.391  0.680  0.718  1.0
[/CIF]
.