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(14), one O(18), one O(19), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra, and  an edgeedge with one Li(7)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(13), one O(17), and one O(20) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(11), one O(16), one O(17), and one O(20) atom. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(12), one O(15), one O(18), and one O(19) atom. In the fifth Li site, Li(5) is bonded to one O(11), one O(17), one O(25), one O(3), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  an edgeedge with one Fe(4)O5 square pyramid, and  an edgeedge with one P(3)O4 tetrahedra. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(12), one O(18), one O(26), one O(4), and one O(6) atom. In the seventh Li site, Li(7) is bonded to one O(1), one O(19), one O(27), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Fe(3)O5 square pyramid,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(10), one O(2), one O(20), one O(28), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O5 square pyramid,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  an edgeedge with one Fe(1)O5 square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(16), one O(28), one O(4), and one O(8) atom to form FeO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(12), one O(14), one O(2), one O(26), and one O(6) atom to form FeO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra, and  a cornercorner with one Li(8)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(15), one O(27), one O(3), one O(7), and one O(9) atom to form FeO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(11), one O(13), one O(25), and one O(5) atom to form FeO5 square pyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(21), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O5 square pyramid, corners with two equivalent Fe(4)O5 square pyramids,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(10), one O(2), one O(22), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O5 square pyramid, corners with two equivalent Fe(2)O5 square pyramids,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Li(8)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(11), one O(23), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(4)O5 square pyramid, corners with two equivalent Fe(3)O5 square pyramids,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(12), one O(24), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O5 square pyramid, corners with two equivalent Fe(1)O5 square pyramids,  a cornercorner with one P(8)O4 tetrahedra, and  a cornercorner with one Li(8)O5 trigonal bipyramid. In the fifth P site, P(5) is bonded to one O(15), one O(18), one O(21), and one O(27) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O5 square pyramids,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Li(7)O5 trigonal bipyramid. In the sixth P site, P(6) is bonded to one O(16), one O(17), one O(22), and one O(28) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. In the seventh P site, P(7) is bonded to one O(13), one O(20), one O(23), and one O(25) atom to form PO4 tetrahedra that share corners with two equivalent Fe(4)O5 square pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. In the eighth P site, P(8) is bonded to one O(14), one O(19), one O(24), and one O(26) atom to form PO4 tetrahedra that share corners with two equivalent Fe(2)O5 square pyramids,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(7)O5 trigonal bipyramid. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(7), one Fe(4), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(8), one Fe(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(5), one Fe(3), and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(6), one Fe(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(5), one Fe(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(6), one Fe(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(7), one Fe(3), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(8), one Fe(1), and one P(4) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(7), one Fe(3), and one P(1) atom to form a mixture of distorted edge and corner-sharing OLi2FeP trigonal pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(8), one Fe(1), and one P(2) atom to form a mixture of distorted edge and corner-sharing OLi2FeP trigonal pyramids. In the eleventh O site, O(11) is bonded to one Li(3), one Li(5), one Fe(4), and one P(3) atom to form a mixture of distorted edge and corner-sharing OLi2FeP trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(4), one Li(6), one Fe(2), and one P(4) atom to form a mixture of distorted edge and corner-sharing OLi2FeP trigonal pyramids. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(4), and one P(7) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), and one P(8) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(3), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one P(6) atom. In the seventeenth O site, O(17) is bonded to one Li(2), one Li(3), one Li(5), and one P(6) atom to form OLi3P trigonal pyramids that share  a cornercorner with one O(10)Li2FeP trigonal pyramid,  an edgeedge with one O(11)Li2FeP trigonal pyramid, and  an edgeedge with one O(20)Li3P trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(4), one Li(6), and one P(5) atom to form OLi3P trigonal pyramids that share  a cornercorner with one O(9)Li2FeP trigonal pyramid,  an edgeedge with one O(12)Li2FeP trigonal pyramid, and  an edgeedge with one O(19)Li3P trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Li(1), one Li(4), one Li(7), and one P(8) atom to form OLi3P trigonal pyramids that share  a cornercorner with one O(12)Li2FeP trigonal pyramid,  an edgeedge with one O(9)Li2FeP trigonal pyramid, and  an edgeedge with one O(18)Li3P trigonal pyramid. In the twentieth O site, O(20) is bonded to one Li(2), one Li(3), one Li(8), and one P(7) atom to form OLi3P trigonal pyramids that share  a cornercorner with one O(11)Li2FeP trigonal pyramid,  an edgeedge with one O(10)Li2FeP trigonal pyramid, and  an edgeedge with one O(17)Li3P trigonal pyramid. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one P(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one P(3) and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one P(4) and one P(8) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(5), one Fe(4), and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(6), one Fe(2), and one P(8) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(7), one Fe(3), and one P(5) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(8), one Fe(1), and one P(6) 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(14), one O(18), one O(19), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra, and  an edgeedge with one Li(7)O5 trigonal bipyramid. The Li(1)-O(14) bond length is 1.98 Å. The Li(1)-O(18) bond length is 2.04 Å. The Li(1)-O(19) bond length is 2.14 Å. The Li(1)-O(9) bond length is 2.01 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(13), one O(17), and one O(20) atom. The Li(2)-O(10) bond length is 2.01 Å. The Li(2)-O(13) bond length is 1.99 Å. The Li(2)-O(17) bond length is 2.02 Å. The Li(2)-O(20) bond length is 2.15 Å. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(11), one O(16), one O(17), and one O(20) atom. The Li(3)-O(11) bond length is 2.01 Å. The Li(3)-O(16) bond length is 1.98 Å. The Li(3)-O(17) bond length is 2.14 Å. The Li(3)-O(20) bond length is 2.03 Å. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(12), one O(15), one O(18), and one O(19) atom. The Li(4)-O(12) bond length is 2.02 Å. The Li(4)-O(15) bond length is 1.99 Å. The Li(4)-O(18) bond length is 2.15 Å. The Li(4)-O(19) bond length is 2.02 Å. In the fifth Li site, Li(5) is bonded to one O(11), one O(17), one O(25), one O(3), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  an edgeedge with one Fe(4)O5 square pyramid, and  an edgeedge with one P(3)O4 tetrahedra. The Li(5)-O(11) bond length is 2.12 Å. The Li(5)-O(17) bond length is 2.17 Å. The Li(5)-O(25) bond length is 2.06 Å. The Li(5)-O(3) bond length is 2.43 Å. The Li(5)-O(5) bond length is 2.11 Å. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(12), one O(18), one O(26), one O(4), and one O(6) atom. The Li(6)-O(12) bond length is 2.08 Å. The Li(6)-O(18) bond length is 2.15 Å. The Li(6)-O(26) bond length is 2.08 Å. The Li(6)-O(4) bond length is 2.57 Å. The Li(6)-O(6) bond length is 2.07 Å. In the seventh Li site, Li(7) is bonded to one O(1), one O(19), one O(27), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O5 square pyramid,  a cornercorner with one Fe(4)O5 square pyramid,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Fe(3)O5 square pyramid,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The Li(7)-O(1) bond length is 2.42 Å. The Li(7)-O(19) bond length is 2.17 Å. The Li(7)-O(27) bond length is 2.06 Å. The Li(7)-O(7) bond length is 2.11 Å. The Li(7)-O(9) bond length is 2.12 Å. In the eighth Li site, Li(8) is bonded to one O(10), one O(2), one O(20), one O(28), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O5 square pyramid,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  an edgeedge with one Fe(1)O5 square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The Li(8)-O(10) bond length is 2.09 Å. The Li(8)-O(2) bond length is 2.43 Å. The Li(8)-O(20) bond length is 2.13 Å. The Li(8)-O(28) bond length is 2.06 Å. The Li(8)-O(8) bond length is 2.10 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(16), one O(28), one O(4), and one O(8) atom to form FeO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O5 trigonal bipyramid. The Fe(1)-O(10) bond length is 2.21 Å. The Fe(1)-O(16) bond length is 2.16 Å. The Fe(1)-O(28) bond length is 2.11 Å. The Fe(1)-O(4) bond length is 2.07 Å. The Fe(1)-O(8) bond length is 2.11 Å. In the second Fe site, Fe(2) is bonded to one O(12), one O(14), one O(2), one O(26), and one O(6) atom to form FeO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The Fe(2)-O(12) bond length is 2.21 Å. The Fe(2)-O(14) bond length is 2.16 Å. The Fe(2)-O(2) bond length is 2.06 Å. The Fe(2)-O(26) bond length is 2.10 Å. The Fe(2)-O(6) bond length is 2.16 Å. In the third Fe site, Fe(3) is bonded to one O(15), one O(27), one O(3), one O(7), and one O(9) atom to form FeO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. The Fe(3)-O(15) bond length is 2.12 Å. The Fe(3)-O(27) bond length is 2.14 Å. The Fe(3)-O(3) bond length is 2.09 Å. The Fe(3)-O(7) bond length is 2.12 Å. The Fe(3)-O(9) bond length is 2.21 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(11), one O(13), one O(25), and one O(5) atom to form FeO5 square pyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The Fe(4)-O(1) bond length is 2.09 Å. The Fe(4)-O(11) bond length is 2.21 Å. The Fe(4)-O(13) bond length is 2.12 Å. The Fe(4)-O(25) bond length is 2.14 Å. The Fe(4)-O(5) bond length is 2.13 Å. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(21), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O5 square pyramid, corners with two equivalent Fe(4)O5 square pyramids,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(21) bond length is 1.60 Å. The P(1)-O(5) bond length is 1.51 Å. The P(1)-O(9) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(10), one O(2), one O(22), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O5 square pyramid, corners with two equivalent Fe(2)O5 square pyramids,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Li(8)O5 trigonal bipyramid. The P(2)-O(10) bond length is 1.56 Å. The P(2)-O(2) bond length is 1.54 Å. The P(2)-O(22) bond length is 1.60 Å. The P(2)-O(6) bond length is 1.51 Å. In the third P site, P(3) is bonded to one O(11), one O(23), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(4)O5 square pyramid, corners with two equivalent Fe(3)O5 square pyramids,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The P(3)-O(11) bond length is 1.56 Å. The P(3)-O(23) bond length is 1.60 Å. The P(3)-O(3) bond length is 1.54 Å. The P(3)-O(7) bond length is 1.51 Å. In the fourth P site, P(4) is bonded to one O(12), one O(24), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O5 square pyramid, corners with two equivalent Fe(1)O5 square pyramids,  a cornercorner with one P(8)O4 tetrahedra, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The P(4)-O(12) bond length is 1.56 Å. The P(4)-O(24) bond length is 1.60 Å. The P(4)-O(4) bond length is 1.53 Å. The P(4)-O(8) bond length is 1.51 Å. In the fifth P site, P(5) is bonded to one O(15), one O(18), one O(21), and one O(27) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O5 square pyramids,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The P(5)-O(15) bond length is 1.54 Å. The P(5)-O(18) bond length is 1.54 Å. The P(5)-O(21) bond length is 1.63 Å. The P(5)-O(27) bond length is 1.53 Å. In the sixth P site, P(6) is bonded to one O(16), one O(17), one O(22), and one O(28) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The P(6)-O(16) bond length is 1.53 Å. The P(6)-O(17) bond length is 1.53 Å. The P(6)-O(22) bond length is 1.63 Å. The P(6)-O(28) bond length is 1.53 Å. In the seventh P site, P(7) is bonded to one O(13), one O(20), one O(23), and one O(25) atom to form PO4 tetrahedra that share corners with two equivalent Fe(4)O5 square pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The P(7)-O(13) bond length is 1.54 Å. The P(7)-O(20) bond length is 1.54 Å. The P(7)-O(23) bond length is 1.63 Å. The P(7)-O(25) bond length is 1.53 Å. In the eighth P site, P(8) is bonded to one O(14), one O(19), one O(24), and one O(26) atom to form PO4 tetrahedra that share corners with two equivalent Fe(2)O5 square pyramids,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The P(8)-O(14) bond length is 1.53 Å. The P(8)-O(19) bond length is 1.54 Å. The P(8)-O(24) bond length is 1.63 Å. The P(8)-O(26) bond length is 1.53 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(7), one Fe(4), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(8), one Fe(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(5), one Fe(3), and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(6), one Fe(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(5), one Fe(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(6), one Fe(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(7), one Fe(3), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(8), one Fe(1), and one P(4) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(7), one Fe(3), and one P(1) atom to form a mixture of distorted edge and corner-sharing OLi2FeP trigonal pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(8), one Fe(1), and one P(2) atom to form a mixture of distorted edge and corner-sharing OLi2FeP trigonal pyramids. In the eleventh O site, O(11) is bonded to one Li(3), one Li(5), one Fe(4), and one P(3) atom to form a mixture of distorted edge and corner-sharing OLi2FeP trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(4), one Li(6), one Fe(2), and one P(4) atom to form a mixture of distorted edge and corner-sharing OLi2FeP trigonal pyramids. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(4), and one P(7) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), and one P(8) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(3), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one P(6) atom. In the seventeenth O site, O(17) is bonded to one Li(2), one Li(3), one Li(5), and one P(6) atom to form OLi3P trigonal pyramids that share  a cornercorner with one O(10)Li2FeP trigonal pyramid,  an edgeedge with one O(11)Li2FeP trigonal pyramid, and  an edgeedge with one O(20)Li3P trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(4), one Li(6), and one P(5) atom to form OLi3P trigonal pyramids that share  a cornercorner with one O(9)Li2FeP trigonal pyramid,  an edgeedge with one O(12)Li2FeP trigonal pyramid, and  an edgeedge with one O(19)Li3P trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Li(1), one Li(4), one Li(7), and one P(8) atom to form OLi3P trigonal pyramids that share  a cornercorner with one O(12)Li2FeP trigonal pyramid,  an edgeedge with one O(9)Li2FeP trigonal pyramid, and  an edgeedge with one O(18)Li3P trigonal pyramid. In the twentieth O site, O(20) is bonded to one Li(2), one Li(3), one Li(8), and one P(7) atom to form OLi3P trigonal pyramids that share  a cornercorner with one O(11)Li2FeP trigonal pyramid,  an edgeedge with one O(10)Li2FeP trigonal pyramid, and  an edgeedge with one O(17)Li3P trigonal pyramid. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one P(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one P(3) and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one P(4) and one P(8) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(5), one Fe(4), and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(6), one Fe(2), and one P(8) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(7), one Fe(3), and one P(5) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(8), one Fe(1), and one P(6) atom.