Li5Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(27), one O(3), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(28), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(12), one O(14), one O(4), one O(5), and one O(8) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 65-85°. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 71-80°. In the fifth Li site, Li(5) is bonded to one O(11), one O(13), one O(3), one O(6), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 64-78°. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(20), one O(21), one O(24), and one O(25) atom. In the seventh Li site, Li(7) is bonded to one O(15), one O(16), one O(22), one O(23), and one O(24) atom to form LiO5 trigonal bipyramids 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(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-77°. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(17), one O(18), one O(19), one O(25), and one O(26) atom. In the ninth Li site, Li(9) is bonded in a 4-coordinate geometry to one O(1), one O(20), one O(22), and one O(26) atom. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(19), one O(2), one O(21), one O(24), and one O(4) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(13), one O(15), one O(4), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(18), one O(2), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(11), one O(17), one O(19), one O(20), one O(23), and one O(28) atom to form distorted FeO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(7)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(16), one O(21), one O(22), one O(25), and one O(27) atom to form distorted FeO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(24), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(26), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(23), one O(28), and one O(3) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(25), one O(27), and one O(5) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(16), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-54°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(17), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  a cornercorner with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-54°. In the third P site, P(3) is bonded to one O(12), one O(15), one O(19), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-59°. In the fourth P site, P(4) is bonded to one O(13), one O(18), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-50°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(9), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(10), one Fe(2), and one C(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(5), and one C(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(10), one Li(3), one Fe(1), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(4), and one C(4) atom to form OLi3C tetrahedra that share  a cornercorner with one O(13)Li2FeP tetrahedra,  a cornercorner with one O(6)Li2FeC trigonal pyramid,  a cornercorner with one O(9)Li2FeP trigonal pyramid, and  an edgeedge with one O(14)Li2FeP tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Li(5), one Fe(2), and one C(2) atom to form distorted OLi2FeC trigonal pyramids that share  a cornercorner with one O(14)Li2FeP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(9)Li2FeP trigonal pyramid, and  an edgeedge with one O(13)Li2FeP tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Fe(2), and one P(1) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(5), one Fe(1), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(14)Li2FeP tetrahedra,  a cornercorner with one O(15)Li2FeP tetrahedra,  a cornercorner with one O(17)Li2FeP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(6)Li2FeC trigonal pyramid, and  an edgeedge with one O(13)Li2FeP tetrahedra. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(5), one Fe(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Fe(1), and one P(4) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(14)Li2FeP tetrahedra,  a cornercorner with one O(15)Li2FeP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  an edgeedge with one O(6)Li2FeC trigonal pyramid, and  an edgeedge with one O(9)Li2FeP trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(4), one Fe(4), and one P(2) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(13)Li2FeP tetrahedra,  a cornercorner with one O(17)Li2FeP tetrahedra,  a cornercorner with one O(6)Li2FeC trigonal pyramid,  a cornercorner with one O(9)Li2FeP trigonal pyramid, and  an edgeedge with one O(5)Li3C tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(6), one Li(7), one Fe(1), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(13)Li2FeP tetrahedra,  a cornercorner with one O(17)Li2FeP tetrahedra,  a cornercorner with one O(9)Li2FeP trigonal pyramid, and  an edgeedge with one O(24)Li3C tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(7), one Fe(4), and one P(1) atom. In the seventeenth O site, O(17) is bonded to one Li(6), one Li(8), one Fe(3), and one P(2) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(14)Li2FeP tetrahedra,  a cornercorner with one O(15)Li2FeP tetrahedra,  a cornercorner with one O(24)Li3C tetrahedra, and  a cornercorner with one O(9)Li2FeP trigonal pyramid. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(8), one Fe(2), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(10), one Li(8), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(6), one Li(9), one Fe(3), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(10), one Li(6), one Fe(4), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(7), one Li(9), one Fe(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(7), one Fe(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded to one Li(10), one Li(6), one Li(7), and one C(1) atom to form a mixture of distorted corner and edge-sharing OLi3C tetrahedra. In the twenty-fifth O site, O(25) is bonded in a 1-coordinate geometry to one Li(6), one Li(8), one Fe(4), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(8), one Li(9), and one C(2) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(1), one Fe(4), and one C(4) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(2), one Fe(3), and one C(3) atom.
Li5Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(27), one O(3), one O(7), and one O(8) atom. The Li(1)-O(27) bond length is 1.92 Å. The Li(1)-O(3) bond length is 1.99 Å. The Li(1)-O(7) bond length is 2.03 Å. The Li(1)-O(8) bond length is 2.30 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(28), one O(5), and one O(9) atom. The Li(2)-O(10) bond length is 2.24 Å. The Li(2)-O(28) bond length is 1.99 Å. The Li(2)-O(5) bond length is 2.04 Å. The Li(2)-O(9) bond length is 2.18 Å. In the third Li site, Li(3) is bonded to one O(12), one O(14), one O(4), one O(5), and one O(8) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 65-85°. The Li(3)-O(12) bond length is 2.10 Å. The Li(3)-O(14) bond length is 2.16 Å. The Li(3)-O(4) bond length is 2.15 Å. The Li(3)-O(5) bond length is 2.07 Å. The Li(3)-O(8) bond length is 2.25 Å. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 71-80°. The Li(4)-O(13) bond length is 2.12 Å. The Li(4)-O(14) bond length is 2.35 Å. The Li(4)-O(5) bond length is 2.03 Å. The Li(4)-O(6) bond length is 2.33 Å. The Li(4)-O(7) bond length is 2.29 Å. In the fifth Li site, Li(5) is bonded to one O(11), one O(13), one O(3), one O(6), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 64-78°. The Li(5)-O(11) bond length is 2.16 Å. The Li(5)-O(13) bond length is 2.31 Å. The Li(5)-O(3) bond length is 2.00 Å. The Li(5)-O(6) bond length is 2.40 Å. The Li(5)-O(9) bond length is 2.05 Å. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(20), one O(21), one O(24), and one O(25) atom. The Li(6)-O(15) bond length is 2.34 Å. The Li(6)-O(17) bond length is 2.16 Å. The Li(6)-O(20) bond length is 2.46 Å. The Li(6)-O(21) bond length is 2.56 Å. The Li(6)-O(24) bond length is 2.01 Å. The Li(6)-O(25) bond length is 2.20 Å. In the seventh Li site, Li(7) is bonded to one O(15), one O(16), one O(22), one O(23), and one O(24) atom to form LiO5 trigonal bipyramids 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(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-77°. The Li(7)-O(15) bond length is 2.15 Å. The Li(7)-O(16) bond length is 2.08 Å. The Li(7)-O(22) bond length is 2.20 Å. The Li(7)-O(23) bond length is 2.22 Å. The Li(7)-O(24) bond length is 2.05 Å. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(17), one O(18), one O(19), one O(25), and one O(26) atom. The Li(8)-O(17) bond length is 2.28 Å. The Li(8)-O(18) bond length is 2.16 Å. The Li(8)-O(19) bond length is 2.07 Å. The Li(8)-O(25) bond length is 2.52 Å. The Li(8)-O(26) bond length is 1.99 Å. In the ninth Li site, Li(9) is bonded in a 4-coordinate geometry to one O(1), one O(20), one O(22), and one O(26) atom. The Li(9)-O(1) bond length is 1.93 Å. The Li(9)-O(20) bond length is 2.24 Å. The Li(9)-O(22) bond length is 2.05 Å. The Li(9)-O(26) bond length is 1.99 Å. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(19), one O(2), one O(21), one O(24), and one O(4) atom. The Li(10)-O(19) bond length is 2.53 Å. The Li(10)-O(2) bond length is 1.98 Å. The Li(10)-O(21) bond length is 2.04 Å. The Li(10)-O(24) bond length is 2.06 Å. The Li(10)-O(4) bond length is 2.48 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(13), one O(15), one O(4), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The Fe(1)-O(1) bond length is 2.28 Å. The Fe(1)-O(13) bond length is 2.10 Å. The Fe(1)-O(15) bond length is 2.12 Å. The Fe(1)-O(4) bond length is 2.17 Å. The Fe(1)-O(7) bond length is 2.12 Å. The Fe(1)-O(9) bond length is 2.15 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(18), one O(2), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The Fe(2)-O(10) bond length is 1.99 Å. The Fe(2)-O(12) bond length is 1.99 Å. The Fe(2)-O(18) bond length is 2.02 Å. The Fe(2)-O(2) bond length is 2.20 Å. The Fe(2)-O(6) bond length is 2.10 Å. The Fe(2)-O(8) bond length is 2.04 Å. In the third Fe site, Fe(3) is bonded to one O(11), one O(17), one O(19), one O(20), one O(23), and one O(28) atom to form distorted FeO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The Fe(3)-O(11) bond length is 1.99 Å. The Fe(3)-O(17) bond length is 2.05 Å. The Fe(3)-O(19) bond length is 2.02 Å. The Fe(3)-O(20) bond length is 2.02 Å. The Fe(3)-O(23) bond length is 2.05 Å. The Fe(3)-O(28) bond length is 2.25 Å. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(16), one O(21), one O(22), one O(25), and one O(27) atom to form distorted FeO6 octahedra that share  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(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. The Fe(4)-O(14) bond length is 2.17 Å. The Fe(4)-O(16) bond length is 2.02 Å. The Fe(4)-O(21) bond length is 2.10 Å. The Fe(4)-O(22) bond length is 2.16 Å. The Fe(4)-O(25) bond length is 2.24 Å. The Fe(4)-O(27) bond length is 2.28 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(24), and one O(4) atom. The C(1)-O(1) bond length is 1.29 Å. The C(1)-O(24) bond length is 1.30 Å. The C(1)-O(4) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(26), and one O(6) atom. The C(2)-O(2) bond length is 1.31 Å. The C(2)-O(26) bond length is 1.27 Å. The C(2)-O(6) bond length is 1.32 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(23), one O(28), and one O(3) atom. The C(3)-O(23) bond length is 1.32 Å. The C(3)-O(28) bond length is 1.31 Å. The C(3)-O(3) bond length is 1.27 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(25), one O(27), and one O(5) atom. The C(4)-O(25) bond length is 1.30 Å. The C(4)-O(27) bond length is 1.29 Å. The C(4)-O(5) bond length is 1.31 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(16), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-54°. The P(1)-O(11) bond length is 1.57 Å. The P(1)-O(16) bond length is 1.52 Å. The P(1)-O(7) bond length is 1.55 Å. The P(1)-O(8) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(10), one O(14), one O(17), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  a cornercorner with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-54°. The P(2)-O(10) bond length is 1.55 Å. The P(2)-O(14) bond length is 1.55 Å. The P(2)-O(17) bond length is 1.56 Å. The P(2)-O(9) bond length is 1.55 Å. In the third P site, P(3) is bonded to one O(12), one O(15), one O(19), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-59°. The P(3)-O(12) bond length is 1.55 Å. The P(3)-O(15) bond length is 1.55 Å. The P(3)-O(19) bond length is 1.57 Å. The P(3)-O(21) bond length is 1.54 Å. In the fourth P site, P(4) is bonded to one O(13), one O(18), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-50°. The P(4)-O(13) bond length is 1.54 Å. The P(4)-O(18) bond length is 1.57 Å. The P(4)-O(20) bond length is 1.57 Å. The P(4)-O(22) bond length is 1.55 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(9), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(10), one Fe(2), and one C(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(5), and one C(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(10), one Li(3), one Fe(1), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(4), and one C(4) atom to form OLi3C tetrahedra that share  a cornercorner with one O(13)Li2FeP tetrahedra,  a cornercorner with one O(6)Li2FeC trigonal pyramid,  a cornercorner with one O(9)Li2FeP trigonal pyramid, and  an edgeedge with one O(14)Li2FeP tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Li(5), one Fe(2), and one C(2) atom to form distorted OLi2FeC trigonal pyramids that share  a cornercorner with one O(14)Li2FeP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(9)Li2FeP trigonal pyramid, and  an edgeedge with one O(13)Li2FeP tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Fe(2), and one P(1) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(5), one Fe(1), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(14)Li2FeP tetrahedra,  a cornercorner with one O(15)Li2FeP tetrahedra,  a cornercorner with one O(17)Li2FeP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(6)Li2FeC trigonal pyramid, and  an edgeedge with one O(13)Li2FeP tetrahedra. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(5), one Fe(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Fe(1), and one P(4) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(14)Li2FeP tetrahedra,  a cornercorner with one O(15)Li2FeP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  an edgeedge with one O(6)Li2FeC trigonal pyramid, and  an edgeedge with one O(9)Li2FeP trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(4), one Fe(4), and one P(2) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(13)Li2FeP tetrahedra,  a cornercorner with one O(17)Li2FeP tetrahedra,  a cornercorner with one O(6)Li2FeC trigonal pyramid,  a cornercorner with one O(9)Li2FeP trigonal pyramid, and  an edgeedge with one O(5)Li3C tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(6), one Li(7), one Fe(1), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(13)Li2FeP tetrahedra,  a cornercorner with one O(17)Li2FeP tetrahedra,  a cornercorner with one O(9)Li2FeP trigonal pyramid, and  an edgeedge with one O(24)Li3C tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(7), one Fe(4), and one P(1) atom. In the seventeenth O site, O(17) is bonded to one Li(6), one Li(8), one Fe(3), and one P(2) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(14)Li2FeP tetrahedra,  a cornercorner with one O(15)Li2FeP tetrahedra,  a cornercorner with one O(24)Li3C tetrahedra, and  a cornercorner with one O(9)Li2FeP trigonal pyramid. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(8), one Fe(2), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(10), one Li(8), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(6), one Li(9), one Fe(3), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(10), one Li(6), one Fe(4), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(7), one Li(9), one Fe(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(7), one Fe(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded to one Li(10), one Li(6), one Li(7), and one C(1) atom to form a mixture of distorted corner and edge-sharing OLi3C tetrahedra. In the twenty-fifth O site, O(25) is bonded in a 1-coordinate geometry to one Li(6), one Li(8), one Fe(4), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(8), one Li(9), and one C(2) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(1), one Fe(4), and one C(4) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(2), one Fe(3), and one C(3) atom.