The crystal structure described by Li2Fe2(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(3), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(12), one O(5), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(2), one O(5), one O(6), 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, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-44°. In the second P site, P(2) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 27-49°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(12), 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  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Fe(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(2), one Fe(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a trigonal pyramidal geometry to one Li(1), one Li(2), one Fe(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(3) atom. is represented by the CIF card [CIF]
data_Li2Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.536
_cell_length_b   8.546
_cell_length_c   8.786
_cell_angle_alpha   62.240
_cell_angle_beta   61.362
_cell_angle_gamma   60.495
_symmetry_Int_Tables_number   1
_cell_volume   466.933
_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  0.221  0.397  0.128  1.0
  Li  Li1  1  0.349  0.206  0.452  1.0
  Li  Li2  1  0.651  0.794  0.548  1.0
  Li  Li3  1  0.779  0.603  0.872  1.0
  Fe  Fe4  1  0.850  0.352  0.440  1.0
  Fe  Fe5  1  0.356  0.863  0.927  1.0
  Fe  Fe6  1  0.644  0.137  0.073  1.0
  Fe  Fe7  1  0.150  0.648  0.560  1.0
  P  P8  1  0.533  0.466  0.251  1.0
  P  P9  1  0.754  0.957  0.749  1.0
  P  P10  1  0.039  0.249  0.745  1.0
  P  P11  1  0.961  0.751  0.255  1.0
  P  P12  1  0.246  0.043  0.251  1.0
  P  P13  1  0.467  0.534  0.749  1.0
  O  O14  1  0.988  0.554  0.263  1.0
  O  O15  1  0.669  0.480  0.306  1.0
  O  O16  1  0.529  0.616  0.063  1.0
  O  O17  1  0.120  0.814  0.092  1.0
  O  O18  1  0.329  0.490  0.392  1.0
  O  O19  1  0.760  0.138  0.592  1.0
  O  O20  1  0.682  0.986  0.935  1.0
  O  O21  1  0.599  0.265  0.240  1.0
  O  O22  1  0.948  0.791  0.740  1.0
  O  O23  1  0.242  0.110  0.750  1.0
  O  O24  1  0.620  0.882  0.748  1.0
  O  O25  1  0.047  0.256  0.561  1.0
  O  O26  1  0.953  0.744  0.439  1.0
  O  O27  1  0.380  0.118  0.252  1.0
  O  O28  1  0.758  0.890  0.250  1.0
  O  O29  1  0.052  0.209  0.260  1.0
  O  O30  1  0.401  0.735  0.760  1.0
  O  O31  1  0.318  0.014  0.065  1.0
  O  O32  1  0.240  0.862  0.408  1.0
  O  O33  1  0.671  0.510  0.608  1.0
  O  O34  1  0.880  0.186  0.908  1.0
  O  O35  1  0.471  0.384  0.937  1.0
  O  O36  1  0.331  0.520  0.694  1.0
  O  O37  1  0.012  0.446  0.737  1.0
[/CIF]
.
The crystal structure described by Li2Fe2(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(3), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(12), one O(5), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(2), one O(5), one O(6), 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, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-44°. In the second P site, P(2) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 27-49°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(12), 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  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Fe(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(2), one Fe(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a trigonal pyramidal geometry to one Li(1), one Li(2), one Fe(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(3) atom. is represented by the CIF card [CIF]
data_Li2Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.536
_cell_length_b   8.546
_cell_length_c   8.786
_cell_angle_alpha   62.240
_cell_angle_beta   61.362
_cell_angle_gamma   60.495
_symmetry_Int_Tables_number   1
_cell_volume   466.933
_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  0.221  0.397  0.128  1.0
  Li  Li1  1  0.349  0.206  0.452  1.0
  Li  Li2  1  0.651  0.794  0.548  1.0
  Li  Li3  1  0.779  0.603  0.872  1.0
  Fe  Fe4  1  0.850  0.352  0.440  1.0
  Fe  Fe5  1  0.356  0.863  0.927  1.0
  Fe  Fe6  1  0.644  0.137  0.073  1.0
  Fe  Fe7  1  0.150  0.648  0.560  1.0
  P  P8  1  0.533  0.466  0.251  1.0
  P  P9  1  0.754  0.957  0.749  1.0
  P  P10  1  0.039  0.249  0.745  1.0
  P  P11  1  0.961  0.751  0.255  1.0
  P  P12  1  0.246  0.043  0.251  1.0
  P  P13  1  0.467  0.534  0.749  1.0
  O  O14  1  0.988  0.554  0.263  1.0
  O  O15  1  0.669  0.480  0.306  1.0
  O  O16  1  0.529  0.616  0.063  1.0
  O  O17  1  0.120  0.814  0.092  1.0
  O  O18  1  0.329  0.490  0.392  1.0
  O  O19  1  0.760  0.138  0.592  1.0
  O  O20  1  0.682  0.986  0.935  1.0
  O  O21  1  0.599  0.265  0.240  1.0
  O  O22  1  0.948  0.791  0.740  1.0
  O  O23  1  0.242  0.110  0.750  1.0
  O  O24  1  0.620  0.882  0.748  1.0
  O  O25  1  0.047  0.256  0.561  1.0
  O  O26  1  0.953  0.744  0.439  1.0
  O  O27  1  0.380  0.118  0.252  1.0
  O  O28  1  0.758  0.890  0.250  1.0
  O  O29  1  0.052  0.209  0.260  1.0
  O  O30  1  0.401  0.735  0.760  1.0
  O  O31  1  0.318  0.014  0.065  1.0
  O  O32  1  0.240  0.862  0.408  1.0
  O  O33  1  0.671  0.510  0.608  1.0
  O  O34  1  0.880  0.186  0.908  1.0
  O  O35  1  0.471  0.384  0.937  1.0
  O  O36  1  0.331  0.520  0.694  1.0
  O  O37  1  0.012  0.446  0.737  1.0
[/CIF]
.