Li7Fe4(PO4)6 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)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,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-67°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(3), and one O(4) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(11), one O(17), one O(19), one O(23), and one O(24) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(17), one O(18), and one O(4) atom. In the fifth Li site, Li(5) is bonded to one O(14), one O(21), one O(6), 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(2)O6 octahedra,  a cornercorner with one Li(7)O4 tetrahedra,  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(6)O4 tetrahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(12), one O(22), and one O(24) atom. In the seventh Li site, Li(7) is bonded to one O(14), one O(18), one O(20), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-67°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(15), one O(16), one O(2), one O(22), one O(24), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  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 P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(11), one O(13), one O(18), one O(20), one O(4), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  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 P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(12), one O(14), one O(19), one O(21), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  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 P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(17), one O(23), one O(3), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  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 P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(14), one O(16), and one O(4) 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(5)O4 tetrahedra, and  a cornercorner with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-52°. In the second P site, P(2) is bonded to one O(20), one O(3), 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(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-46°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(2), and one O(6) 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(1)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-49°. In the fourth P site, P(4) is bonded to one O(13), one O(15), one O(19), and one O(23) 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, and  a cornercorner with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the fifth P site, P(5) is bonded to one O(17), one O(18), one O(22), and one O(5) 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(1)O4 tetrahedra, and  a cornercorner with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-52°. In the sixth P site, P(6) is bonded to one O(11), one O(21), one O(24), 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(1)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-58°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(2), one Fe(4), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Fe(4), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(3), and one P(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(5), one Fe(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Fe(4) and one P(6) atom. In the tenth O site, O(10) is bonded to one Li(4), one Li(6), one Fe(4), and one P(3) atom to form a mixture of distorted corner and edge-sharing OLi2FeP trigonal pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Fe(2), and one P(6) atom to form distorted corner-sharing OLi2FeP trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(6), one Fe(3), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded to one Li(5), one Li(7), one Fe(3), and one P(1) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(4), one Fe(4), and one P(5) atom to form a mixture of corner and edge-sharing OLi2FeP trigonal pyramids. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(4), one Li(7), one Fe(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(3), and one P(4) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(7), one Fe(2), and one P(2) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(3), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Li(6), one Fe(1), and one P(5) atom. In the twenty-third O site, O(23) is bonded to one Li(3), one Li(7), one Fe(4), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Fe(1), and one P(6) atom.
Li7Fe4(PO4)6 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)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,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-67°. The Li(1)-O(11) bond length is 2.01 Å. The Li(1)-O(2) bond length is 2.01 Å. The Li(1)-O(5) bond length is 2.09 Å. The Li(1)-O(7) bond length is 1.98 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(3), and one O(4) atom. The Li(2)-O(1) bond length is 2.00 Å. The Li(2)-O(13) bond length is 1.94 Å. The Li(2)-O(3) bond length is 2.08 Å. The Li(2)-O(4) bond length is 2.48 Å. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(11), one O(17), one O(19), one O(23), and one O(24) atom. The Li(3)-O(11) bond length is 2.21 Å. The Li(3)-O(17) bond length is 2.03 Å. The Li(3)-O(19) bond length is 2.06 Å. The Li(3)-O(23) bond length is 2.25 Å. The Li(3)-O(24) bond length is 2.54 Å. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(17), one O(18), and one O(4) atom. The Li(4)-O(10) bond length is 2.00 Å. The Li(4)-O(17) bond length is 2.05 Å. The Li(4)-O(18) bond length is 2.33 Å. The Li(4)-O(4) bond length is 1.89 Å. In the fifth Li site, Li(5) is bonded to one O(14), one O(21), one O(6), 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(2)O6 octahedra,  a cornercorner with one Li(7)O4 tetrahedra,  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(6)O4 tetrahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. The Li(5)-O(14) bond length is 2.08 Å. The Li(5)-O(21) bond length is 1.99 Å. The Li(5)-O(6) bond length is 1.94 Å. The Li(5)-O(8) bond length is 1.97 Å. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(12), one O(22), and one O(24) atom. The Li(6)-O(10) bond length is 2.37 Å. The Li(6)-O(12) bond length is 2.02 Å. The Li(6)-O(22) bond length is 2.10 Å. The Li(6)-O(24) bond length is 1.98 Å. In the seventh Li site, Li(7) is bonded to one O(14), one O(18), one O(20), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-67°. The Li(7)-O(14) bond length is 2.19 Å. The Li(7)-O(18) bond length is 2.02 Å. The Li(7)-O(20) bond length is 2.04 Å. The Li(7)-O(23) bond length is 2.03 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(15), one O(16), one O(2), one O(22), one O(24), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  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 P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The Fe(1)-O(15) bond length is 1.96 Å. The Fe(1)-O(16) bond length is 1.94 Å. The Fe(1)-O(2) bond length is 2.08 Å. The Fe(1)-O(22) bond length is 2.04 Å. The Fe(1)-O(24) bond length is 2.10 Å. The Fe(1)-O(8) bond length is 2.07 Å. In the second Fe site, Fe(2) is bonded to one O(11), one O(13), one O(18), one O(20), one O(4), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  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 P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The Fe(2)-O(11) bond length is 2.20 Å. The Fe(2)-O(13) bond length is 2.17 Å. The Fe(2)-O(18) bond length is 2.23 Å. The Fe(2)-O(20) bond length is 2.12 Å. The Fe(2)-O(4) bond length is 2.18 Å. The Fe(2)-O(6) bond length is 2.13 Å. In the third Fe site, Fe(3) is bonded to one O(12), one O(14), one O(19), one O(21), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  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 P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The Fe(3)-O(12) bond length is 2.02 Å. The Fe(3)-O(14) bond length is 2.09 Å. The Fe(3)-O(19) bond length is 1.99 Å. The Fe(3)-O(21) bond length is 2.02 Å. The Fe(3)-O(5) bond length is 2.03 Å. The Fe(3)-O(7) bond length is 2.05 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(17), one O(23), one O(3), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  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 P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The Fe(4)-O(1) bond length is 2.00 Å. The Fe(4)-O(10) bond length is 2.07 Å. The Fe(4)-O(17) bond length is 2.15 Å. The Fe(4)-O(23) bond length is 2.09 Å. The Fe(4)-O(3) bond length is 2.05 Å. The Fe(4)-O(9) bond length is 1.93 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(14), one O(16), and one O(4) 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(5)O4 tetrahedra, and  a cornercorner with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-52°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(14) bond length is 1.57 Å. The P(1)-O(16) bond length is 1.52 Å. The P(1)-O(4) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(20), one O(3), 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(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-46°. The P(2)-O(20) bond length is 1.54 Å. The P(2)-O(3) bond length is 1.55 Å. The P(2)-O(7) bond length is 1.56 Å. The P(2)-O(8) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(10), one O(12), one O(2), and one O(6) 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(1)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-49°. The P(3)-O(10) bond length is 1.58 Å. The P(3)-O(12) bond length is 1.56 Å. The P(3)-O(2) bond length is 1.55 Å. The P(3)-O(6) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one O(13), one O(15), one O(19), and one O(23) 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, and  a cornercorner with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-52°. The P(4)-O(13) bond length is 1.53 Å. The P(4)-O(15) bond length is 1.53 Å. The P(4)-O(19) bond length is 1.57 Å. The P(4)-O(23) bond length is 1.57 Å. In the fifth P site, P(5) is bonded to one O(17), one O(18), one O(22), and one O(5) 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(1)O4 tetrahedra, and  a cornercorner with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-52°. The P(5)-O(17) bond length is 1.57 Å. The P(5)-O(18) bond length is 1.55 Å. The P(5)-O(22) bond length is 1.54 Å. The P(5)-O(5) bond length is 1.55 Å. In the sixth P site, P(6) is bonded to one O(11), one O(21), one O(24), 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(1)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-58°. The P(6)-O(11) bond length is 1.56 Å. The P(6)-O(21) bond length is 1.55 Å. The P(6)-O(24) bond length is 1.57 Å. The P(6)-O(9) bond length is 1.53 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(2), one Fe(4), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Fe(4), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(3), and one P(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(5), one Fe(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Fe(4) and one P(6) atom. In the tenth O site, O(10) is bonded to one Li(4), one Li(6), one Fe(4), and one P(3) atom to form a mixture of distorted corner and edge-sharing OLi2FeP trigonal pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Fe(2), and one P(6) atom to form distorted corner-sharing OLi2FeP trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(6), one Fe(3), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded to one Li(5), one Li(7), one Fe(3), and one P(1) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(4), one Fe(4), and one P(5) atom to form a mixture of corner and edge-sharing OLi2FeP trigonal pyramids. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(4), one Li(7), one Fe(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(3), and one P(4) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(7), one Fe(2), and one P(2) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(3), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Li(6), one Fe(1), and one P(5) atom. In the twenty-third O site, O(23) is bonded to one Li(3), one Li(7), one Fe(4), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeP tetrahedra. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Fe(1), and one P(6) atom.