The compound described by Li2Fe(PO4)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(2), one O(4), 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(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(13), one O(15), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(12), one O(18), one O(20), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(2)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 Li(4)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(18), one O(20), one O(25), and one O(28) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(21), one O(27), one O(29), and one O(30) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(21), one O(24), one O(29), and one O(31) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the seventh Li site, Li(7) is bonded to one O(23), one O(25), one O(31), and one O(32) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(2), one O(24), one O(28), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(27), one O(32), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(16), one O(22), and one O(3) atom to form FeO4 tetrahedra 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, and  a cornercorner with one P(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(17), one O(23), and one O(30) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(19), one O(26), and one O(6) atom to form FeO4 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, and  a cornercorner with one P(7)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(26), one O(29), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, and  a cornercorner with one Fe(4)O4 tetrahedra. In the second P site, P(2) is bonded to one O(28), one O(32), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra, and  a cornercorner with one Fe(4)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(16), one O(21), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, and  a cornercorner with one Fe(3)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(13), one O(18), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, and  a cornercorner with one Fe(4)O4 tetrahedra. In the fifth P site, P(5) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra, and  a cornercorner with one Fe(3)O4 tetrahedra. In the sixth P site, P(6) is bonded to one O(12), one O(17), one O(22), and one O(24) 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 Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, and  a cornercorner with one Fe(3)O4 tetrahedra. In the seventh P site, P(7) is bonded to one O(1), one O(25), one O(27), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra, and  a cornercorner with one Fe(4)O4 tetrahedra. In the eighth P site, P(8) is bonded to one O(30), one O(31), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra, and  a cornercorner with one Fe(3)O4 tetrahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(4) and one P(7) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(8), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(8), and one P(8) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(2) and one P(7) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Fe(4) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Fe(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Li(2) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Fe(3) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Fe(4) and one P(4) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(5), one Li(6), and one P(3) 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(7), one Fe(3), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(6), one Li(8), and one P(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Li(7), and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 150 degrees geometry to one Fe(4) and one P(1) atom. In the twenty-seventh O site, O(27) is bonded in a trigonal planar geometry to one Li(5), one Fe(1), and one P(7) atom. In the twenty-eighth O site, O(28) is bonded in a trigonal planar geometry to one Li(4), one Li(8), and one P(2) atom. In the twenty-ninth O site, O(29) is bonded in a distorted T-shaped geometry to one Li(5), one Li(6), and one P(1) atom. In the thirtieth O site, O(30) is bonded in a trigonal planar geometry to one Li(5), one Fe(3), and one P(8) atom. In the thirty-first O site, O(31) is bonded in a trigonal planar geometry to one Li(6), one Li(7), and one P(8) atom. In the thirty-second O site, O(32) is bonded in a trigonal planar geometry to one Li(7), one Fe(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Fe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.323
_cell_length_b   10.727
_cell_length_c   8.265
_cell_angle_alpha   88.753
_cell_angle_beta   103.796
_cell_angle_gamma   89.652
_symmetry_Int_Tables_number   1
_cell_volume   716.396
_cell_formula_units_Z   4
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  0.222  0.445  0.451  1.0
  Li  Li1  1  0.294  0.918  0.552  1.0
  Li  Li2  1  0.400  0.173  0.391  1.0
  Li  Li3  1  0.722  0.072  0.461  1.0
  Li  Li4  1  0.848  0.658  0.845  1.0
  Li  Li5  1  0.781  0.565  0.529  1.0
  Li  Li6  1  0.839  0.839  0.362  1.0
  Li  Li7  1  0.909  0.326  0.392  1.0
  Fe  Fe8  1  0.098  0.840  0.100  1.0
  Fe  Fe9  1  0.410  0.336  0.908  1.0
  Fe  Fe10  1  0.585  0.664  0.098  1.0
  Fe  Fe11  1  0.911  0.160  0.908  1.0
  P  P12  1  0.041  0.408  0.762  1.0
  P  P13  1  0.033  0.081  0.289  1.0
  P  P14  1  0.477  0.585  0.721  1.0
  P  P15  1  0.542  0.094  0.767  1.0
  P  P16  1  0.455  0.908  0.237  1.0
  P  P17  1  0.531  0.414  0.285  1.0
  P  P18  1  0.974  0.915  0.719  1.0
  P  P19  1  0.945  0.598  0.228  1.0
  O  O20  1  0.002  0.052  0.777  1.0
  O  O21  1  0.084  0.364  0.602  1.0
  O  O22  1  0.200  0.402  0.910  1.0
  O  O23  1  0.007  0.464  0.275  1.0
  O  O24  1  0.123  0.870  0.657  1.0
  O  O25  1  0.044  0.154  0.126  1.0
  O  O26  1  0.086  0.676  0.178  1.0
  O  O27  1  0.201  0.083  0.412  1.0
  O  O28  1  0.322  0.598  0.578  1.0
  O  O29  1  0.410  0.178  0.817  1.0
  O  O30  1  0.456  0.658  0.877  1.0
  O  O31  1  0.393  0.359  0.359  1.0
  O  O32  1  0.476  0.962  0.736  1.0
  O  O33  1  0.304  0.906  0.080  1.0
  O  O34  1  0.395  0.850  0.384  1.0
  O  O35  1  0.502  0.443  0.771  1.0
  O  O36  1  0.493  0.554  0.231  1.0
  O  O37  1  0.581  0.142  0.602  1.0
  O  O38  1  0.702  0.097  0.911  1.0
  O  O39  1  0.519  0.039  0.281  1.0
  O  O40  1  0.634  0.627  0.670  1.0
  O  O41  1  0.541  0.339  0.127  1.0
  O  O42  1  0.598  0.827  0.196  1.0
  O  O43  1  0.700  0.406  0.410  1.0
  O  O44  1  0.820  0.905  0.575  1.0
  O  O45  1  0.911  0.320  0.813  1.0
  O  O46  1  0.956  0.832  0.875  1.0
  O  O47  1  0.895  0.138  0.358  1.0
  O  O48  1  0.964  0.539  0.737  1.0
  O  O49  1  0.795  0.605  0.065  1.0
  O  O50  1  0.878  0.660  0.364  1.0
  O  O51  1  0.989  0.940  0.237  1.0
[/CIF]
.
The compound described by Li2Fe(PO4)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(2), one O(4), 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(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(13), one O(15), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(12), one O(18), one O(20), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(2)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 Li(4)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(18), one O(20), one O(25), and one O(28) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(21), one O(27), one O(29), and one O(30) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(21), one O(24), one O(29), and one O(31) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the seventh Li site, Li(7) is bonded to one O(23), one O(25), one O(31), and one O(32) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(2), one O(24), one O(28), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(27), one O(32), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(16), one O(22), and one O(3) atom to form FeO4 tetrahedra 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, and  a cornercorner with one P(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(17), one O(23), and one O(30) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(19), one O(26), and one O(6) atom to form FeO4 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, and  a cornercorner with one P(7)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(26), one O(29), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, and  a cornercorner with one Fe(4)O4 tetrahedra. In the second P site, P(2) is bonded to one O(28), one O(32), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra, and  a cornercorner with one Fe(4)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(16), one O(21), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, and  a cornercorner with one Fe(3)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(13), one O(18), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, and  a cornercorner with one Fe(4)O4 tetrahedra. In the fifth P site, P(5) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra, and  a cornercorner with one Fe(3)O4 tetrahedra. In the sixth P site, P(6) is bonded to one O(12), one O(17), one O(22), and one O(24) 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 Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, and  a cornercorner with one Fe(3)O4 tetrahedra. In the seventh P site, P(7) is bonded to one O(1), one O(25), one O(27), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra, and  a cornercorner with one Fe(4)O4 tetrahedra. In the eighth P site, P(8) is bonded to one O(30), one O(31), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra, and  a cornercorner with one Fe(3)O4 tetrahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(4) and one P(7) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(8), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(8), and one P(8) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(2) and one P(7) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Fe(4) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Fe(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Li(2) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Fe(3) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Fe(4) and one P(4) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(5), one Li(6), and one P(3) 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(7), one Fe(3), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(6), one Li(8), and one P(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Li(7), and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 150 degrees geometry to one Fe(4) and one P(1) atom. In the twenty-seventh O site, O(27) is bonded in a trigonal planar geometry to one Li(5), one Fe(1), and one P(7) atom. In the twenty-eighth O site, O(28) is bonded in a trigonal planar geometry to one Li(4), one Li(8), and one P(2) atom. In the twenty-ninth O site, O(29) is bonded in a distorted T-shaped geometry to one Li(5), one Li(6), and one P(1) atom. In the thirtieth O site, O(30) is bonded in a trigonal planar geometry to one Li(5), one Fe(3), and one P(8) atom. In the thirty-first O site, O(31) is bonded in a trigonal planar geometry to one Li(6), one Li(7), and one P(8) atom. In the thirty-second O site, O(32) is bonded in a trigonal planar geometry to one Li(7), one Fe(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Fe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.323
_cell_length_b   10.727
_cell_length_c   8.265
_cell_angle_alpha   88.753
_cell_angle_beta   103.796
_cell_angle_gamma   89.652
_symmetry_Int_Tables_number   1
_cell_volume   716.396
_cell_formula_units_Z   4
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  0.222  0.445  0.451  1.0
  Li  Li1  1  0.294  0.918  0.552  1.0
  Li  Li2  1  0.400  0.173  0.391  1.0
  Li  Li3  1  0.722  0.072  0.461  1.0
  Li  Li4  1  0.848  0.658  0.845  1.0
  Li  Li5  1  0.781  0.565  0.529  1.0
  Li  Li6  1  0.839  0.839  0.362  1.0
  Li  Li7  1  0.909  0.326  0.392  1.0
  Fe  Fe8  1  0.098  0.840  0.100  1.0
  Fe  Fe9  1  0.410  0.336  0.908  1.0
  Fe  Fe10  1  0.585  0.664  0.098  1.0
  Fe  Fe11  1  0.911  0.160  0.908  1.0
  P  P12  1  0.041  0.408  0.762  1.0
  P  P13  1  0.033  0.081  0.289  1.0
  P  P14  1  0.477  0.585  0.721  1.0
  P  P15  1  0.542  0.094  0.767  1.0
  P  P16  1  0.455  0.908  0.237  1.0
  P  P17  1  0.531  0.414  0.285  1.0
  P  P18  1  0.974  0.915  0.719  1.0
  P  P19  1  0.945  0.598  0.228  1.0
  O  O20  1  0.002  0.052  0.777  1.0
  O  O21  1  0.084  0.364  0.602  1.0
  O  O22  1  0.200  0.402  0.910  1.0
  O  O23  1  0.007  0.464  0.275  1.0
  O  O24  1  0.123  0.870  0.657  1.0
  O  O25  1  0.044  0.154  0.126  1.0
  O  O26  1  0.086  0.676  0.178  1.0
  O  O27  1  0.201  0.083  0.412  1.0
  O  O28  1  0.322  0.598  0.578  1.0
  O  O29  1  0.410  0.178  0.817  1.0
  O  O30  1  0.456  0.658  0.877  1.0
  O  O31  1  0.393  0.359  0.359  1.0
  O  O32  1  0.476  0.962  0.736  1.0
  O  O33  1  0.304  0.906  0.080  1.0
  O  O34  1  0.395  0.850  0.384  1.0
  O  O35  1  0.502  0.443  0.771  1.0
  O  O36  1  0.493  0.554  0.231  1.0
  O  O37  1  0.581  0.142  0.602  1.0
  O  O38  1  0.702  0.097  0.911  1.0
  O  O39  1  0.519  0.039  0.281  1.0
  O  O40  1  0.634  0.627  0.670  1.0
  O  O41  1  0.541  0.339  0.127  1.0
  O  O42  1  0.598  0.827  0.196  1.0
  O  O43  1  0.700  0.406  0.410  1.0
  O  O44  1  0.820  0.905  0.575  1.0
  O  O45  1  0.911  0.320  0.813  1.0
  O  O46  1  0.956  0.832  0.875  1.0
  O  O47  1  0.895  0.138  0.358  1.0
  O  O48  1  0.964  0.539  0.737  1.0
  O  O49  1  0.795  0.605  0.065  1.0
  O  O50  1  0.878  0.660  0.364  1.0
  O  O51  1  0.989  0.940  0.237  1.0
[/CIF]
.