Li5Fe6P5O24 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(15), one O(21), one O(4), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(11), one O(23), one O(3), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 70-82°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(2), one O(22), one O(5), and one O(8) atom. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(13), one O(17), one O(23), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 62°. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(10), one O(18), one O(19), one O(24), one O(6), and one O(7) atom. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(20), one O(3), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(17), one O(2), one O(3), one O(7), and one O(8) atom. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(14), one O(15), one O(19), and one O(4) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-62°. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(13), one O(16), one O(17), one O(7), 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(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(14), one O(16), one O(2), one O(20), and one O(22) atom to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  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(1)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the sixth Fe site, Fe(6) is bonded to one O(18), one O(21), one O(22), one O(23), one O(24), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(17), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, and corners with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the second P site, P(2) is bonded to one O(12), one O(13), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. In the fourth P site, P(4) is bonded to one O(15), one O(16), one O(20), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, and corners with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the fifth P site, P(5) is bonded to one O(19), one O(22), one O(23), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-53°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded to one Li(3), one Fe(1), one Fe(2), and one Fe(5) atom to form OLiFe3 trigonal pyramids that share  a cornercorner with one O(7)Li2Fe2 tetrahedra, corners with two equivalent O(14)LiFe2P tetrahedra, corners with two equivalent O(3)Li2Fe2 trigonal pyramids,  an edgeedge with one O(8)Li2Fe2 tetrahedra, and  an edgeedge with one O(22)LiFe2P tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Fe(1), and one Fe(2) atom to form OLi2Fe2 trigonal pyramids that share  a cornercorner with one O(8)Li2Fe2 tetrahedra, corners with two equivalent O(23)Li2FeP tetrahedra, corners with two equivalent O(2)LiFe3 trigonal pyramids,  an edgeedge with one O(7)Li2Fe2 tetrahedra, and  an edgeedge with one O(11)Li2FeP tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Fe(3), and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one Fe(2), and one Fe(4) atom to form distorted OLi2Fe2 tetrahedra that share  a cornercorner with one O(11)Li2FeP tetrahedra,  a cornercorner with one O(23)Li2FeP tetrahedra,  a cornercorner with one O(2)LiFe3 trigonal pyramid,  an edgeedge with one O(8)Li2Fe2 tetrahedra, and  an edgeedge with one O(3)Li2Fe2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Fe(2), and one Fe(4) atom to form OLi2Fe2 tetrahedra that share  a cornercorner with one O(14)LiFe2P tetrahedra,  a cornercorner with one O(22)LiFe2P tetrahedra,  a cornercorner with one O(3)Li2Fe2 trigonal pyramid,  an edgeedge with one O(7)Li2Fe2 tetrahedra, and  an edgeedge with one O(2)LiFe3 trigonal pyramid. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Fe(6) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(3), and one P(1) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Fe(3), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(7)Li2Fe2 tetrahedra, corners with two equivalent O(23)Li2FeP tetrahedra,  an edgeedge with one O(14)LiFe2P tetrahedra, and  an edgeedge with one O(3)Li2Fe2 trigonal pyramid. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Fe(4), one Fe(5), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(4), one Fe(4), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(3), one Fe(3), one Fe(5), and one P(3) atom to form distorted OLiFe2P tetrahedra that share  a cornercorner with one O(8)Li2Fe2 tetrahedra, corners with two equivalent O(22)LiFe2P tetrahedra, corners with two equivalent O(2)LiFe3 trigonal pyramids, and  an edgeedge with one O(11)Li2FeP tetrahedra. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Fe(4), one Fe(5), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(4), one Fe(2), one Fe(4), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(5), one Fe(6), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Li(5), one Fe(3), and one P(5) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(5), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(6), and one P(4) atom. In the twenty-second O site, O(22) is bonded to one Li(3), one Fe(5), one Fe(6), and one P(5) atom to form distorted OLiFe2P tetrahedra that share  a cornercorner with one O(8)Li2Fe2 tetrahedra, corners with two equivalent O(14)LiFe2P tetrahedra,  an edgeedge with one O(23)Li2FeP tetrahedra, and  an edgeedge with one O(2)LiFe3 trigonal pyramid. In the twenty-third O site, O(23) is bonded to one Li(2), one Li(4), one Fe(6), and one P(5) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(7)Li2Fe2 tetrahedra, corners with two equivalent O(11)Li2FeP tetrahedra, corners with two equivalent O(3)Li2Fe2 trigonal pyramids, and  an edgeedge with one O(22)LiFe2P tetrahedra. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(6), and one P(1) atom.
Li5Fe6P5O24 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(15), one O(21), one O(4), one O(5), and one O(8) atom. The Li(1)-O(15) bond length is 2.10 Å. The Li(1)-O(21) bond length is 2.17 Å. The Li(1)-O(4) bond length is 2.56 Å. The Li(1)-O(5) bond length is 2.04 Å. The Li(1)-O(8) bond length is 1.94 Å. In the second Li site, Li(2) is bonded to one O(11), one O(23), one O(3), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 70-82°. The Li(2)-O(11) bond length is 2.18 Å. The Li(2)-O(23) bond length is 2.40 Å. The Li(2)-O(3) bond length is 2.25 Å. The Li(2)-O(6) bond length is 2.31 Å. The Li(2)-O(7) bond length is 2.03 Å. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(2), one O(22), one O(5), and one O(8) atom. The Li(3)-O(12) bond length is 2.62 Å. The Li(3)-O(14) bond length is 2.37 Å. The Li(3)-O(2) bond length is 2.22 Å. The Li(3)-O(22) bond length is 2.21 Å. The Li(3)-O(5) bond length is 2.21 Å. The Li(3)-O(8) bond length is 2.03 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(13), one O(17), one O(23), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 62°. The Li(4)-O(1) bond length is 2.15 Å. The Li(4)-O(11) bond length is 2.20 Å. The Li(4)-O(13) bond length is 2.29 Å. The Li(4)-O(17) bond length is 2.39 Å. The Li(4)-O(23) bond length is 2.11 Å. The Li(4)-O(3) bond length is 1.97 Å. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(10), one O(18), one O(19), one O(24), one O(6), and one O(7) atom. The Li(5)-O(10) bond length is 2.18 Å. The Li(5)-O(18) bond length is 2.51 Å. The Li(5)-O(19) bond length is 2.63 Å. The Li(5)-O(24) bond length is 2.08 Å. The Li(5)-O(6) bond length is 2.04 Å. The Li(5)-O(7) bond length is 1.92 Å. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(20), one O(3), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The Fe(1)-O(1) bond length is 2.02 Å. The Fe(1)-O(2) bond length is 1.97 Å. The Fe(1)-O(20) bond length is 2.17 Å. The Fe(1)-O(3) bond length is 1.84 Å. The Fe(1)-O(5) bond length is 2.16 Å. The Fe(1)-O(6) bond length is 2.14 Å. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(17), one O(2), one O(3), one O(7), and one O(8) atom. The Fe(2)-O(17) bond length is 2.65 Å. The Fe(2)-O(2) bond length is 1.97 Å. The Fe(2)-O(3) bond length is 1.87 Å. The Fe(2)-O(7) bond length is 1.93 Å. The Fe(2)-O(8) bond length is 1.94 Å. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(14), one O(15), one O(19), and one O(4) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-62°. The Fe(3)-O(10) bond length is 1.94 Å. The Fe(3)-O(11) bond length is 2.05 Å. The Fe(3)-O(14) bond length is 2.34 Å. The Fe(3)-O(15) bond length is 2.00 Å. The Fe(3)-O(19) bond length is 2.03 Å. The Fe(3)-O(4) bond length is 2.01 Å. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(13), one O(16), one O(17), one O(7), 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(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The Fe(4)-O(12) bond length is 2.41 Å. The Fe(4)-O(13) bond length is 2.08 Å. The Fe(4)-O(16) bond length is 2.15 Å. The Fe(4)-O(17) bond length is 2.07 Å. The Fe(4)-O(7) bond length is 1.91 Å. The Fe(4)-O(8) bond length is 1.93 Å. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(14), one O(16), one O(2), one O(20), and one O(22) atom to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  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(1)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. The Fe(5)-O(12) bond length is 2.05 Å. The Fe(5)-O(14) bond length is 2.03 Å. The Fe(5)-O(16) bond length is 2.29 Å. The Fe(5)-O(2) bond length is 1.89 Å. The Fe(5)-O(20) bond length is 2.12 Å. The Fe(5)-O(22) bond length is 2.11 Å. In the sixth Fe site, Fe(6) is bonded to one O(18), one O(21), one O(22), one O(23), one O(24), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-62°. The Fe(6)-O(18) bond length is 2.03 Å. The Fe(6)-O(21) bond length is 2.00 Å. The Fe(6)-O(22) bond length is 2.20 Å. The Fe(6)-O(23) bond length is 2.11 Å. The Fe(6)-O(24) bond length is 1.97 Å. The Fe(6)-O(9) bond length is 2.01 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(17), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, and corners with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(10) bond length is 1.57 Å. The P(1)-O(17) bond length is 1.55 Å. The P(1)-O(24) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(12), one O(13), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The P(2)-O(12) bond length is 1.57 Å. The P(2)-O(13) bond length is 1.54 Å. The P(2)-O(5) bond length is 1.56 Å. The P(2)-O(6) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(11), one O(14), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. The P(3)-O(11) bond length is 1.57 Å. The P(3)-O(14) bond length is 1.60 Å. The P(3)-O(18) bond length is 1.54 Å. The P(3)-O(9) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one O(15), one O(16), one O(20), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, and corners with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. The P(4)-O(15) bond length is 1.56 Å. The P(4)-O(16) bond length is 1.57 Å. The P(4)-O(20) bond length is 1.57 Å. The P(4)-O(21) bond length is 1.55 Å. In the fifth P site, P(5) is bonded to one O(19), one O(22), one O(23), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-53°. The P(5)-O(19) bond length is 1.53 Å. The P(5)-O(22) bond length is 1.60 Å. The P(5)-O(23) bond length is 1.57 Å. The P(5)-O(4) bond length is 1.54 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded to one Li(3), one Fe(1), one Fe(2), and one Fe(5) atom to form OLiFe3 trigonal pyramids that share  a cornercorner with one O(7)Li2Fe2 tetrahedra, corners with two equivalent O(14)LiFe2P tetrahedra, corners with two equivalent O(3)Li2Fe2 trigonal pyramids,  an edgeedge with one O(8)Li2Fe2 tetrahedra, and  an edgeedge with one O(22)LiFe2P tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Fe(1), and one Fe(2) atom to form OLi2Fe2 trigonal pyramids that share  a cornercorner with one O(8)Li2Fe2 tetrahedra, corners with two equivalent O(23)Li2FeP tetrahedra, corners with two equivalent O(2)LiFe3 trigonal pyramids,  an edgeedge with one O(7)Li2Fe2 tetrahedra, and  an edgeedge with one O(11)Li2FeP tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Fe(3), and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one Fe(2), and one Fe(4) atom to form distorted OLi2Fe2 tetrahedra that share  a cornercorner with one O(11)Li2FeP tetrahedra,  a cornercorner with one O(23)Li2FeP tetrahedra,  a cornercorner with one O(2)LiFe3 trigonal pyramid,  an edgeedge with one O(8)Li2Fe2 tetrahedra, and  an edgeedge with one O(3)Li2Fe2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Fe(2), and one Fe(4) atom to form OLi2Fe2 tetrahedra that share  a cornercorner with one O(14)LiFe2P tetrahedra,  a cornercorner with one O(22)LiFe2P tetrahedra,  a cornercorner with one O(3)Li2Fe2 trigonal pyramid,  an edgeedge with one O(7)Li2Fe2 tetrahedra, and  an edgeedge with one O(2)LiFe3 trigonal pyramid. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Fe(6) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(3), and one P(1) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Fe(3), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(7)Li2Fe2 tetrahedra, corners with two equivalent O(23)Li2FeP tetrahedra,  an edgeedge with one O(14)LiFe2P tetrahedra, and  an edgeedge with one O(3)Li2Fe2 trigonal pyramid. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Fe(4), one Fe(5), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(4), one Fe(4), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(3), one Fe(3), one Fe(5), and one P(3) atom to form distorted OLiFe2P tetrahedra that share  a cornercorner with one O(8)Li2Fe2 tetrahedra, corners with two equivalent O(22)LiFe2P tetrahedra, corners with two equivalent O(2)LiFe3 trigonal pyramids, and  an edgeedge with one O(11)Li2FeP tetrahedra. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Fe(4), one Fe(5), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(4), one Fe(2), one Fe(4), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(5), one Fe(6), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Li(5), one Fe(3), and one P(5) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(5), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(6), and one P(4) atom. In the twenty-second O site, O(22) is bonded to one Li(3), one Fe(5), one Fe(6), and one P(5) atom to form distorted OLiFe2P tetrahedra that share  a cornercorner with one O(8)Li2Fe2 tetrahedra, corners with two equivalent O(14)LiFe2P tetrahedra,  an edgeedge with one O(23)Li2FeP tetrahedra, and  an edgeedge with one O(2)LiFe3 trigonal pyramid. In the twenty-third O site, O(23) is bonded to one Li(2), one Li(4), one Fe(6), and one P(5) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(7)Li2Fe2 tetrahedra, corners with two equivalent O(11)Li2FeP tetrahedra, corners with two equivalent O(3)Li2Fe2 trigonal pyramids, and  an edgeedge with one O(22)LiFe2P tetrahedra. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(6), and one P(1) atom.