The material described by LiFe2(PO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(23), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, and  a cornercorner with one Fe(4)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(12), one O(14), one O(2), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid, and  a cornercorner with one Fe(4)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(15), and one O(16) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(21), one O(23), one O(3), one O(7), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(15), one O(17), one O(22), one O(7), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(14), one O(16), one O(7), one O(8), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(13), one O(18), and one O(19) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Fe(6)O5 trigonal bipyramid. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(11), one O(18), one O(19), one O(24), and one O(6) atom. In the sixth Fe site, Fe(6) is bonded to one O(18), one O(19), one O(20), one O(4), and one O(5) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(20), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(6)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(15), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(10), one O(11), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(6)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(13), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(6)O5 trigonal bipyramid. In the fifth P site, P(5) is bonded to one O(16), one O(17), one O(18), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(6)O5 trigonal bipyramid. In the sixth P site, P(6) is bonded to one O(14), one O(19), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(6)O5 trigonal bipyramid. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(2) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(6) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Fe(6) and one P(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Fe(5), and one P(4) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(3), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(4), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Fe(5), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Fe(4), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Fe(4) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Fe(3), and one P(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(2), and one P(2) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(3), one Fe(3), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Fe(4), one Fe(5), one Fe(6), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Fe(4), one Fe(5), one Fe(6), and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Fe(6) and one P(1) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one Fe(5) and one P(1) atom. is represented by the CIF file [CIF]
data_LiFe2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.487
_cell_length_b   7.529
_cell_length_c   9.525
_cell_angle_alpha   91.913
_cell_angle_beta   89.749
_cell_angle_gamma   119.393
_symmetry_Int_Tables_number   1
_cell_volume   467.474
_cell_formula_units_Z   3
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  0.813  0.757  0.752  1.0
  Li  Li1  1  0.187  0.940  0.251  1.0
  Li  Li2  1  0.959  0.210  0.760  1.0
  Fe  Fe3  1  0.451  0.391  0.967  1.0
  Fe  Fe4  1  0.589  0.052  0.973  1.0
  Fe  Fe5  1  0.945  0.540  0.983  1.0
  Fe  Fe6  1  0.057  0.595  0.477  1.0
  Fe  Fe7  1  0.563  0.954  0.453  1.0
  Fe  Fe8  1  0.383  0.450  0.468  1.0
  P  P9  1  0.004  0.004  0.505  1.0
  P  P10  1  0.003  0.003  0.006  1.0
  P  P11  1  0.656  0.338  0.670  1.0
  P  P12  1  0.660  0.333  0.275  1.0
  P  P13  1  0.332  0.656  0.774  1.0
  P  P14  1  0.349  0.674  0.174  1.0
  O  O15  1  0.992  0.005  0.664  1.0
  O  O16  1  0.012  0.007  0.163  1.0
  O  O17  1  0.232  0.126  0.947  1.0
  O  O18  1  0.457  0.320  0.611  1.0
  O  O19  1  0.577  0.472  0.332  1.0
  O  O20  1  0.507  0.110  0.319  1.0
  O  O21  1  0.658  0.337  0.107  1.0
  O  O22  1  0.649  0.329  0.837  1.0
  O  O23  1  0.910  0.783  0.938  1.0
  O  O24  1  0.840  0.544  0.633  1.0
  O  O25  1  0.683  0.156  0.612  1.0
  O  O26  1  0.109  0.885  0.446  1.0
  O  O27  1  0.873  0.396  0.330  1.0
  O  O28  1  0.156  0.689  0.142  1.0
  O  O29  1  0.884  0.107  0.944  1.0
  O  O30  1  0.116  0.500  0.820  1.0
  O  O31  1  0.399  0.875  0.817  1.0
  O  O32  1  0.334  0.646  0.603  1.0
  O  O33  1  0.358  0.676  0.346  1.0
  O  O34  1  0.116  0.226  0.450  1.0
  O  O35  1  0.327  0.471  0.115  1.0
  O  O36  1  0.544  0.855  0.125  1.0
  O  O37  1  0.490  0.592  0.825  1.0
  O  O38  1  0.778  0.899  0.444  1.0
[/CIF]
.
The material described by LiFe2(PO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(23), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, and  a cornercorner with one Fe(4)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(12), one O(14), one O(2), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid, and  a cornercorner with one Fe(4)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(15), and one O(16) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(21), one O(23), one O(3), one O(7), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(15), one O(17), one O(22), one O(7), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(14), one O(16), one O(7), one O(8), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(13), one O(18), and one O(19) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Fe(6)O5 trigonal bipyramid. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(11), one O(18), one O(19), one O(24), and one O(6) atom. In the sixth Fe site, Fe(6) is bonded to one O(18), one O(19), one O(20), one O(4), and one O(5) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(20), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(6)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(15), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(10), one O(11), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(6)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(13), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(6)O5 trigonal bipyramid. In the fifth P site, P(5) is bonded to one O(16), one O(17), one O(18), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(6)O5 trigonal bipyramid. In the sixth P site, P(6) is bonded to one O(14), one O(19), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(6)O5 trigonal bipyramid. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(2) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(6) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Fe(6) and one P(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Fe(5), and one P(4) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(3), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(4), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Fe(5), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Fe(4), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Fe(4) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Fe(3), and one P(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(2), and one P(2) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(3), one Fe(3), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Fe(4), one Fe(5), one Fe(6), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Fe(4), one Fe(5), one Fe(6), and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Fe(6) and one P(1) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one Fe(5) and one P(1) atom. is represented by the CIF file [CIF]
data_LiFe2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.487
_cell_length_b   7.529
_cell_length_c   9.525
_cell_angle_alpha   91.913
_cell_angle_beta   89.749
_cell_angle_gamma   119.393
_symmetry_Int_Tables_number   1
_cell_volume   467.474
_cell_formula_units_Z   3
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  0.813  0.757  0.752  1.0
  Li  Li1  1  0.187  0.940  0.251  1.0
  Li  Li2  1  0.959  0.210  0.760  1.0
  Fe  Fe3  1  0.451  0.391  0.967  1.0
  Fe  Fe4  1  0.589  0.052  0.973  1.0
  Fe  Fe5  1  0.945  0.540  0.983  1.0
  Fe  Fe6  1  0.057  0.595  0.477  1.0
  Fe  Fe7  1  0.563  0.954  0.453  1.0
  Fe  Fe8  1  0.383  0.450  0.468  1.0
  P  P9  1  0.004  0.004  0.505  1.0
  P  P10  1  0.003  0.003  0.006  1.0
  P  P11  1  0.656  0.338  0.670  1.0
  P  P12  1  0.660  0.333  0.275  1.0
  P  P13  1  0.332  0.656  0.774  1.0
  P  P14  1  0.349  0.674  0.174  1.0
  O  O15  1  0.992  0.005  0.664  1.0
  O  O16  1  0.012  0.007  0.163  1.0
  O  O17  1  0.232  0.126  0.947  1.0
  O  O18  1  0.457  0.320  0.611  1.0
  O  O19  1  0.577  0.472  0.332  1.0
  O  O20  1  0.507  0.110  0.319  1.0
  O  O21  1  0.658  0.337  0.107  1.0
  O  O22  1  0.649  0.329  0.837  1.0
  O  O23  1  0.910  0.783  0.938  1.0
  O  O24  1  0.840  0.544  0.633  1.0
  O  O25  1  0.683  0.156  0.612  1.0
  O  O26  1  0.109  0.885  0.446  1.0
  O  O27  1  0.873  0.396  0.330  1.0
  O  O28  1  0.156  0.689  0.142  1.0
  O  O29  1  0.884  0.107  0.944  1.0
  O  O30  1  0.116  0.500  0.820  1.0
  O  O31  1  0.399  0.875  0.817  1.0
  O  O32  1  0.334  0.646  0.603  1.0
  O  O33  1  0.358  0.676  0.346  1.0
  O  O34  1  0.116  0.226  0.450  1.0
  O  O35  1  0.327  0.471  0.115  1.0
  O  O36  1  0.544  0.855  0.125  1.0
  O  O37  1  0.490  0.592  0.825  1.0
  O  O38  1  0.778  0.899  0.444  1.0
[/CIF]
.