Li2FeP2O7 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(15), one O(18), one O(21), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. In the second Li site, Li(2) is bonded to one O(10), one O(16), one O(17), and one O(22) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. In the third Li site, Li(3) is bonded to one O(11), one O(14), one O(19), and one O(24) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. In the fourth Li site, Li(4) is bonded to one O(12), one O(13), one O(20), and one O(23) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 74-80°. In the fifth Li site, Li(5) is bonded to one O(13), one O(20), one O(26), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. In the sixth Li site, Li(6) is bonded to one O(14), one O(19), one O(25), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. In the seventh Li site, Li(7) is bonded to one O(16), one O(17), one O(27), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. In the eighth Li site, Li(8) is bonded to one O(15), one O(18), one O(28), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(15), one O(18), one O(22), one O(27), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  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(7)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(11), one O(14), one O(20), one O(23), one O(25), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(10), one O(16), one O(17), one O(21), one O(28), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  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(8)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(13), one O(19), one O(24), one O(26), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(15), one O(27), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-56°. In the second P site, P(2) is bonded to one O(16), one O(2), one O(28), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-56°. In the third P site, P(3) is bonded to one O(1), one O(13), one O(25), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-55°. In the fourth P site, P(4) is bonded to one O(14), one O(2), one O(26), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-56°. In the fifth P site, P(5) is bonded to one O(11), one O(19), one O(23), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-56°. In the sixth P site, P(6) is bonded to one O(12), one O(20), one O(24), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-55°. In the seventh P site, P(7) is bonded to one O(17), one O(21), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-56°. In the eighth P site, P(8) is bonded to one O(10), one O(18), one O(22), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-56°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(5) and one P(7) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(6) and one P(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(6), one Fe(4), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(7), one Fe(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(8), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(7) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(3), and one P(8) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(2), and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(4), and one P(6) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Fe(4), and one P(3) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(6), one Fe(2), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(8), one Fe(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(7), one Fe(3), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the seventeenth O site, O(17) is bonded to one Li(2), one Li(7), one Fe(3), and one P(7) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(8), one Fe(1), and one P(8) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(6), one Fe(4), and one P(5) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the twentieth O site, O(20) is bonded to one Li(4), one Li(5), one Fe(2), and one P(6) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(3), and one P(7) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one P(8) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(2), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(4), and one P(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Li(6), one Fe(2), and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(4), and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Li(7), one Fe(1), and one P(1) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one Li(8), one Fe(3), and one P(2) atom.
Li2FeP2O7 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(15), one O(18), one O(21), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. The Li(1)-O(15) bond length is 2.23 Å. The Li(1)-O(18) bond length is 2.01 Å. The Li(1)-O(21) bond length is 1.94 Å. The Li(1)-O(9) bond length is 1.98 Å. In the second Li site, Li(2) is bonded to one O(10), one O(16), one O(17), and one O(22) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. The Li(2)-O(10) bond length is 1.98 Å. The Li(2)-O(16) bond length is 2.25 Å. The Li(2)-O(17) bond length is 2.00 Å. The Li(2)-O(22) bond length is 1.94 Å. In the third Li site, Li(3) is bonded to one O(11), one O(14), one O(19), and one O(24) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. The Li(3)-O(11) bond length is 1.98 Å. The Li(3)-O(14) bond length is 2.24 Å. The Li(3)-O(19) bond length is 1.99 Å. The Li(3)-O(24) bond length is 1.94 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(13), one O(20), and one O(23) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 74-80°. The Li(4)-O(12) bond length is 1.98 Å. The Li(4)-O(13) bond length is 2.26 Å. The Li(4)-O(20) bond length is 2.01 Å. The Li(4)-O(23) bond length is 1.94 Å. In the fifth Li site, Li(5) is bonded to one O(13), one O(20), one O(26), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. The Li(5)-O(13) bond length is 2.00 Å. The Li(5)-O(20) bond length is 2.25 Å. The Li(5)-O(26) bond length is 1.94 Å. The Li(5)-O(5) bond length is 1.98 Å. In the sixth Li site, Li(6) is bonded to one O(14), one O(19), one O(25), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. The Li(6)-O(14) bond length is 1.99 Å. The Li(6)-O(19) bond length is 2.24 Å. The Li(6)-O(25) bond length is 1.94 Å. The Li(6)-O(6) bond length is 1.98 Å. In the seventh Li site, Li(7) is bonded to one O(16), one O(17), one O(27), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. The Li(7)-O(16) bond length is 2.00 Å. The Li(7)-O(17) bond length is 2.25 Å. The Li(7)-O(27) bond length is 1.94 Å. The Li(7)-O(7) bond length is 1.98 Å. In the eighth Li site, Li(8) is bonded to one O(15), one O(18), one O(28), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-80°. The Li(8)-O(15) bond length is 2.00 Å. The Li(8)-O(18) bond length is 2.23 Å. The Li(8)-O(28) bond length is 1.94 Å. The Li(8)-O(8) bond length is 1.98 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(15), one O(18), one O(22), one O(27), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  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(7)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The Fe(1)-O(15) bond length is 2.18 Å. The Fe(1)-O(18) bond length is 2.18 Å. The Fe(1)-O(22) bond length is 2.34 Å. The Fe(1)-O(27) bond length is 2.34 Å. The Fe(1)-O(8) bond length is 2.07 Å. The Fe(1)-O(9) bond length is 2.08 Å. In the second Fe site, Fe(2) is bonded to one O(11), one O(14), one O(20), one O(23), one O(25), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The Fe(2)-O(11) bond length is 2.07 Å. The Fe(2)-O(14) bond length is 2.19 Å. The Fe(2)-O(20) bond length is 2.18 Å. The Fe(2)-O(23) bond length is 2.35 Å. The Fe(2)-O(25) bond length is 2.32 Å. The Fe(2)-O(5) bond length is 2.08 Å. In the third Fe site, Fe(3) is bonded to one O(10), one O(16), one O(17), one O(21), one O(28), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  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(8)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The Fe(3)-O(10) bond length is 2.08 Å. The Fe(3)-O(16) bond length is 2.18 Å. The Fe(3)-O(17) bond length is 2.18 Å. The Fe(3)-O(21) bond length is 2.33 Å. The Fe(3)-O(28) bond length is 2.32 Å. The Fe(3)-O(7) bond length is 2.08 Å. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(13), one O(19), one O(24), one O(26), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The Fe(4)-O(12) bond length is 2.08 Å. The Fe(4)-O(13) bond length is 2.18 Å. The Fe(4)-O(19) bond length is 2.19 Å. The Fe(4)-O(24) bond length is 2.32 Å. The Fe(4)-O(26) bond length is 2.34 Å. The Fe(4)-O(6) bond length is 2.07 Å. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(15), one O(27), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-56°. The P(1)-O(1) bond length is 1.61 Å. The P(1)-O(15) bond length is 1.54 Å. The P(1)-O(27) bond length is 1.53 Å. The P(1)-O(7) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(16), one O(2), one O(28), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-56°. The P(2)-O(16) bond length is 1.53 Å. The P(2)-O(2) bond length is 1.61 Å. The P(2)-O(28) bond length is 1.53 Å. The P(2)-O(8) bond length is 1.54 Å. In the third P site, P(3) is bonded to one O(1), one O(13), one O(25), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-55°. The P(3)-O(1) bond length is 1.61 Å. The P(3)-O(13) bond length is 1.53 Å. The P(3)-O(25) bond length is 1.53 Å. The P(3)-O(5) bond length is 1.54 Å. In the fourth P site, P(4) is bonded to one O(14), one O(2), one O(26), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-56°. The P(4)-O(14) bond length is 1.53 Å. The P(4)-O(2) bond length is 1.61 Å. The P(4)-O(26) bond length is 1.53 Å. The P(4)-O(6) bond length is 1.54 Å. In the fifth P site, P(5) is bonded to one O(11), one O(19), one O(23), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-56°. The P(5)-O(11) bond length is 1.54 Å. The P(5)-O(19) bond length is 1.53 Å. The P(5)-O(23) bond length is 1.53 Å. The P(5)-O(3) bond length is 1.61 Å. In the sixth P site, P(6) is bonded to one O(12), one O(20), one O(24), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-55°. The P(6)-O(12) bond length is 1.54 Å. The P(6)-O(20) bond length is 1.53 Å. The P(6)-O(24) bond length is 1.53 Å. The P(6)-O(4) bond length is 1.61 Å. In the seventh P site, P(7) is bonded to one O(17), one O(21), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-56°. The P(7)-O(17) bond length is 1.53 Å. The P(7)-O(21) bond length is 1.53 Å. The P(7)-O(3) bond length is 1.61 Å. The P(7)-O(9) bond length is 1.54 Å. In the eighth P site, P(8) is bonded to one O(10), one O(18), one O(22), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-56°. The P(8)-O(10) bond length is 1.54 Å. The P(8)-O(18) bond length is 1.54 Å. The P(8)-O(22) bond length is 1.53 Å. The P(8)-O(4) bond length is 1.61 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(5) and one P(7) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(6) and one P(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(6), one Fe(4), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(7), one Fe(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(8), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(7) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(3), and one P(8) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(2), and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(4), and one P(6) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Fe(4), and one P(3) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(6), one Fe(2), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(8), one Fe(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(7), one Fe(3), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the seventeenth O site, O(17) is bonded to one Li(2), one Li(7), one Fe(3), and one P(7) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(8), one Fe(1), and one P(8) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(6), one Fe(4), and one P(5) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the twentieth O site, O(20) is bonded to one Li(4), one Li(5), one Fe(2), and one P(6) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(3), and one P(7) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one P(8) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(2), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(4), and one P(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Li(6), one Fe(2), and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(4), and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Li(7), one Fe(1), and one P(1) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one Li(8), one Fe(3), and one P(2) atom.