Na2Li5Ti3Fe(PO4)6 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(2), one O(22), one O(23), and one O(3) atom. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to one O(12), one O(13), one O(18), one O(19), one O(6), and one O(7) atom. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)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  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-66°. In the second Li site, Li(2) is bonded to one O(11), one O(15), one O(17), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(1)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 Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-67°. In the third Li site, Li(3) is bonded to one O(10), one O(14), one O(19), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  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(6)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-69°. In the fourth Li site, Li(4) is bonded to one O(12), one O(17), one O(20), and one O(23) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)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(6)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-70°. In the fifth Li site, Li(5) is bonded to one O(14), one O(18), one O(20), and one O(22) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)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(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 67-72°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(15), one O(2), one O(22), one O(24), one O(4), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)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 Ti site, Ti(2) is bonded to one O(12), one O(14), one O(17), one O(19), one O(5), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)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,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. In the third Ti site, Ti(3) is bonded to one O(1), one O(10), one O(16), one O(21), one O(23), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)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. Fe(1) is bonded to one O(11), one O(13), one O(18), one O(20), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)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,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(5)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(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-51°. In the second P site, P(2) is bonded to one O(10), one O(20), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-49°. In the third P site, P(3) is bonded to one O(12), one O(3), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-51°. In the fourth P site, P(4) is bonded to one O(13), one O(16), one O(17), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-49°. In the fifth P site, P(5) is bonded to one O(15), one O(18), one O(21), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-51°. In the sixth P site, P(6) is bonded to one O(11), one O(19), one O(23), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-50°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Ti(3), and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(2), and one P(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one Li(2), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Ti(2), and one P(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Fe(1), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(20)Li2FeP tetrahedra and  a cornercorner with one O(14)Li2TiP tetrahedra. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Li(3), one Ti(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(2), one Li(4), one Ti(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(2), one Li(1), one Fe(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(5), one Ti(2), and one P(1) atom to form distorted OLi2TiP tetrahedra that share  a cornercorner with one O(20)Li2FeP tetrahedra,  a cornercorner with one O(8)Li2FeP tetrahedra, and  a cornercorner with one O(17)Li2TiP tetrahedra. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(1), one Li(2), one Ti(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(4) atom. In the seventeenth O site, O(17) is bonded to one Li(2), one Li(4), one Ti(2), and one P(4) atom to form distorted OLi2TiP tetrahedra that share  a cornercorner with one O(20)Li2FeP tetrahedra,  a cornercorner with one O(14)Li2TiP tetrahedra, and  a cornercorner with one O(23)NaLiTiP trigonal pyramid. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(2), one Li(5), one Fe(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Na(2), one Li(3), one Ti(2), and one P(6) atom. In the twentieth O site, O(20) is bonded to one Li(4), one Li(5), one Fe(1), and one P(2) atom to form OLi2FeP tetrahedra that share  a cornercorner with one O(8)Li2FeP tetrahedra,  a cornercorner with one O(14)Li2TiP tetrahedra,  a cornercorner with one O(17)Li2TiP tetrahedra, and  a cornercorner with one O(23)NaLiTiP trigonal pyramid. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(1), one Li(5), one Ti(1), and one P(4) atom. In the twenty-third O site, O(23) is bonded to one Na(1), one Li(4), one Ti(3), and one P(6) atom to form distorted ONaLiTiP trigonal pyramids that share  a cornercorner with one O(20)Li2FeP tetrahedra and  a cornercorner with one O(17)Li2TiP tetrahedra. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(6) atom.
Na2Li5Ti3Fe(PO4)6 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(2), one O(22), one O(23), and one O(3) atom. The Na(1)-O(10) bond length is 2.58 Å. The Na(1)-O(15) bond length is 2.51 Å. The Na(1)-O(2) bond length is 2.59 Å. The Na(1)-O(22) bond length is 2.69 Å. The Na(1)-O(23) bond length is 2.45 Å. The Na(1)-O(3) bond length is 2.42 Å. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to one O(12), one O(13), one O(18), one O(19), one O(6), and one O(7) atom. The Na(2)-O(12) bond length is 2.71 Å. The Na(2)-O(13) bond length is 2.67 Å. The Na(2)-O(18) bond length is 2.75 Å. The Na(2)-O(19) bond length is 2.68 Å. The Na(2)-O(6) bond length is 2.62 Å. The Na(2)-O(7) bond length is 2.65 Å. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)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  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-66°. The Li(1)-O(13) bond length is 1.95 Å. The Li(1)-O(2) bond length is 2.00 Å. The Li(1)-O(5) bond length is 2.17 Å. The Li(1)-O(8) bond length is 2.09 Å. In the second Li site, Li(2) is bonded to one O(11), one O(15), one O(17), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(1)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 Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-67°. The Li(2)-O(11) bond length is 2.01 Å. The Li(2)-O(15) bond length is 1.97 Å. The Li(2)-O(17) bond length is 2.42 Å. The Li(2)-O(6) bond length is 1.94 Å. In the third Li site, Li(3) is bonded to one O(10), one O(14), one O(19), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  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(6)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-69°. The Li(3)-O(10) bond length is 2.00 Å. The Li(3)-O(14) bond length is 2.14 Å. The Li(3)-O(19) bond length is 1.98 Å. The Li(3)-O(8) bond length is 2.23 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(17), one O(20), and one O(23) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)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(6)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-70°. The Li(4)-O(12) bond length is 1.96 Å. The Li(4)-O(17) bond length is 2.13 Å. The Li(4)-O(20) bond length is 2.26 Å. The Li(4)-O(23) bond length is 1.97 Å. In the fifth Li site, Li(5) is bonded to one O(14), one O(18), one O(20), and one O(22) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)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(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 67-72°. The Li(5)-O(14) bond length is 2.35 Å. The Li(5)-O(18) bond length is 1.93 Å. The Li(5)-O(20) bond length is 2.09 Å. The Li(5)-O(22) bond length is 2.00 Å. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(15), one O(2), one O(22), one O(24), one O(4), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)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 Ti(1)-O(15) bond length is 2.14 Å. The Ti(1)-O(2) bond length is 2.13 Å. The Ti(1)-O(22) bond length is 2.15 Å. The Ti(1)-O(24) bond length is 2.00 Å. The Ti(1)-O(4) bond length is 2.01 Å. The Ti(1)-O(9) bond length is 1.99 Å. In the second Ti site, Ti(2) is bonded to one O(12), one O(14), one O(17), one O(19), one O(5), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)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,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The Ti(2)-O(12) bond length is 2.10 Å. The Ti(2)-O(14) bond length is 2.12 Å. The Ti(2)-O(17) bond length is 2.11 Å. The Ti(2)-O(19) bond length is 2.16 Å. The Ti(2)-O(5) bond length is 2.04 Å. The Ti(2)-O(7) bond length is 2.02 Å. In the third Ti site, Ti(3) is bonded to one O(1), one O(10), one O(16), one O(21), one O(23), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)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 Ti(3)-O(1) bond length is 1.98 Å. The Ti(3)-O(10) bond length is 2.10 Å. The Ti(3)-O(16) bond length is 2.01 Å. The Ti(3)-O(21) bond length is 1.99 Å. The Ti(3)-O(23) bond length is 2.12 Å. The Ti(3)-O(3) bond length is 2.04 Å. Fe(1) is bonded to one O(11), one O(13), one O(18), one O(20), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)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,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The Fe(1)-O(11) bond length is 2.05 Å. The Fe(1)-O(13) bond length is 2.19 Å. The Fe(1)-O(18) bond length is 2.20 Å. The Fe(1)-O(20) bond length is 2.10 Å. The Fe(1)-O(6) bond length is 2.20 Å. The Fe(1)-O(8) bond length is 2.13 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(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-51°. The P(1)-O(1) bond length is 1.52 Å. The P(1)-O(14) bond length is 1.57 Å. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(6) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(10), one O(20), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-49°. The P(2)-O(10) bond length is 1.57 Å. The P(2)-O(20) bond length is 1.56 Å. The P(2)-O(4) bond length is 1.53 Å. The P(2)-O(7) bond length is 1.55 Å. In the third P site, P(3) is bonded to one O(12), one O(3), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-51°. The P(3)-O(12) bond length is 1.56 Å. The P(3)-O(3) bond length is 1.54 Å. The P(3)-O(8) bond length is 1.57 Å. The P(3)-O(9) bond length is 1.54 Å. In the fourth P site, P(4) is bonded to one O(13), one O(16), one O(17), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-49°. The P(4)-O(13) bond length is 1.55 Å. The P(4)-O(16) bond length is 1.53 Å. The P(4)-O(17) bond length is 1.57 Å. The P(4)-O(22) bond length is 1.57 Å. In the fifth P site, P(5) is bonded to one O(15), one O(18), one O(21), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-51°. The P(5)-O(15) bond length is 1.56 Å. The P(5)-O(18) bond length is 1.55 Å. The P(5)-O(21) bond length is 1.53 Å. The P(5)-O(5) bond length is 1.57 Å. In the sixth P site, P(6) is bonded to one O(11), one O(19), one O(23), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-50°. The P(6)-O(11) bond length is 1.54 Å. The P(6)-O(19) bond length is 1.57 Å. The P(6)-O(23) bond length is 1.57 Å. The P(6)-O(24) bond length is 1.53 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Ti(3), and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(2), and one P(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one Li(2), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Ti(2), and one P(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Fe(1), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(20)Li2FeP tetrahedra and  a cornercorner with one O(14)Li2TiP tetrahedra. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Li(3), one Ti(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(2), one Li(4), one Ti(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(2), one Li(1), one Fe(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(5), one Ti(2), and one P(1) atom to form distorted OLi2TiP tetrahedra that share  a cornercorner with one O(20)Li2FeP tetrahedra,  a cornercorner with one O(8)Li2FeP tetrahedra, and  a cornercorner with one O(17)Li2TiP tetrahedra. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(1), one Li(2), one Ti(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(4) atom. In the seventeenth O site, O(17) is bonded to one Li(2), one Li(4), one Ti(2), and one P(4) atom to form distorted OLi2TiP tetrahedra that share  a cornercorner with one O(20)Li2FeP tetrahedra,  a cornercorner with one O(14)Li2TiP tetrahedra, and  a cornercorner with one O(23)NaLiTiP trigonal pyramid. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(2), one Li(5), one Fe(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Na(2), one Li(3), one Ti(2), and one P(6) atom. In the twentieth O site, O(20) is bonded to one Li(4), one Li(5), one Fe(1), and one P(2) atom to form OLi2FeP tetrahedra that share  a cornercorner with one O(8)Li2FeP tetrahedra,  a cornercorner with one O(14)Li2TiP tetrahedra,  a cornercorner with one O(17)Li2TiP tetrahedra, and  a cornercorner with one O(23)NaLiTiP trigonal pyramid. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(1), one Li(5), one Ti(1), and one P(4) atom. In the twenty-third O site, O(23) is bonded to one Na(1), one Li(4), one Ti(3), and one P(6) atom to form distorted ONaLiTiP trigonal pyramids that share  a cornercorner with one O(20)Li2FeP tetrahedra and  a cornercorner with one O(17)Li2TiP tetrahedra. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(6) atom.