The material described by Li3Fe2(PO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-68°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. 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 two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-48°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(2) is bonded to two equivalent Li(1), one Fe(2), and one P(1) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.036
_cell_length_b   9.036
_cell_length_c   9.036
_cell_angle_alpha   55.566
_cell_angle_beta   55.566
_cell_angle_gamma   55.566
_symmetry_Int_Tables_number   1
_cell_volume   468.015
_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  0.076  0.334  0.737  1.0
  Li  Li1  1  0.334  0.737  0.076  1.0
  Li  Li2  1  0.737  0.076  0.334  1.0
  Li  Li3  1  0.924  0.666  0.263  1.0
  Li  Li4  1  0.666  0.263  0.924  1.0
  Li  Li5  1  0.263  0.924  0.666  1.0
  Fe  Fe6  1  0.147  0.147  0.147  1.0
  Fe  Fe7  1  0.853  0.853  0.853  1.0
  Fe  Fe8  1  0.652  0.652  0.652  1.0
  Fe  Fe9  1  0.348  0.348  0.348  1.0
  P  P10  1  0.957  0.252  0.540  1.0
  P  P11  1  0.252  0.540  0.957  1.0
  P  P12  1  0.540  0.957  0.252  1.0
  P  P13  1  0.043  0.748  0.460  1.0
  P  P14  1  0.748  0.460  0.043  1.0
  P  P15  1  0.460  0.043  0.748  1.0
  O  O16  1  0.992  0.203  0.385  1.0
  O  O17  1  0.203  0.385  0.992  1.0
  O  O18  1  0.385  0.992  0.203  1.0
  O  O19  1  0.008  0.797  0.615  1.0
  O  O20  1  0.797  0.615  0.008  1.0
  O  O21  1  0.615  0.008  0.797  1.0
  O  O22  1  0.845  0.790  0.463  1.0
  O  O23  1  0.790  0.463  0.845  1.0
  O  O24  1  0.463  0.845  0.790  1.0
  O  O25  1  0.155  0.210  0.537  1.0
  O  O26  1  0.210  0.537  0.155  1.0
  O  O27  1  0.537  0.155  0.210  1.0
  O  O28  1  0.832  0.468  0.508  1.0
  O  O29  1  0.468  0.508  0.832  1.0
  O  O30  1  0.508  0.832  0.468  1.0
  O  O31  1  0.168  0.532  0.492  1.0
  O  O32  1  0.532  0.492  0.168  1.0
  O  O33  1  0.492  0.168  0.532  1.0
  O  O34  1  0.137  0.875  0.254  1.0
  O  O35  1  0.875  0.254  0.137  1.0
  O  O36  1  0.254  0.137  0.875  1.0
  O  O37  1  0.863  0.125  0.746  1.0
  O  O38  1  0.125  0.746  0.863  1.0
  O  O39  1  0.746  0.863  0.125  1.0
[/CIF]
.
The material described by Li3Fe2(PO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-68°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. 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 two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-48°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(2) is bonded to two equivalent Li(1), one Fe(2), and one P(1) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.036
_cell_length_b   9.036
_cell_length_c   9.036
_cell_angle_alpha   55.566
_cell_angle_beta   55.566
_cell_angle_gamma   55.566
_symmetry_Int_Tables_number   1
_cell_volume   468.015
_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  0.076  0.334  0.737  1.0
  Li  Li1  1  0.334  0.737  0.076  1.0
  Li  Li2  1  0.737  0.076  0.334  1.0
  Li  Li3  1  0.924  0.666  0.263  1.0
  Li  Li4  1  0.666  0.263  0.924  1.0
  Li  Li5  1  0.263  0.924  0.666  1.0
  Fe  Fe6  1  0.147  0.147  0.147  1.0
  Fe  Fe7  1  0.853  0.853  0.853  1.0
  Fe  Fe8  1  0.652  0.652  0.652  1.0
  Fe  Fe9  1  0.348  0.348  0.348  1.0
  P  P10  1  0.957  0.252  0.540  1.0
  P  P11  1  0.252  0.540  0.957  1.0
  P  P12  1  0.540  0.957  0.252  1.0
  P  P13  1  0.043  0.748  0.460  1.0
  P  P14  1  0.748  0.460  0.043  1.0
  P  P15  1  0.460  0.043  0.748  1.0
  O  O16  1  0.992  0.203  0.385  1.0
  O  O17  1  0.203  0.385  0.992  1.0
  O  O18  1  0.385  0.992  0.203  1.0
  O  O19  1  0.008  0.797  0.615  1.0
  O  O20  1  0.797  0.615  0.008  1.0
  O  O21  1  0.615  0.008  0.797  1.0
  O  O22  1  0.845  0.790  0.463  1.0
  O  O23  1  0.790  0.463  0.845  1.0
  O  O24  1  0.463  0.845  0.790  1.0
  O  O25  1  0.155  0.210  0.537  1.0
  O  O26  1  0.210  0.537  0.155  1.0
  O  O27  1  0.537  0.155  0.210  1.0
  O  O28  1  0.832  0.468  0.508  1.0
  O  O29  1  0.468  0.508  0.832  1.0
  O  O30  1  0.508  0.832  0.468  1.0
  O  O31  1  0.168  0.532  0.492  1.0
  O  O32  1  0.532  0.492  0.168  1.0
  O  O33  1  0.492  0.168  0.532  1.0
  O  O34  1  0.137  0.875  0.254  1.0
  O  O35  1  0.875  0.254  0.137  1.0
  O  O36  1  0.254  0.137  0.875  1.0
  O  O37  1  0.863  0.125  0.746  1.0
  O  O38  1  0.125  0.746  0.863  1.0
  O  O39  1  0.746  0.863  0.125  1.0
[/CIF]
.