Li5Nb2Fe3O10 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(13), one O(15), one O(17), one O(19), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(18), and one O(20) atom to form LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the third Li site, Li(3) is bonded to one O(12), one O(13), one O(17), one O(19), one O(4), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(14), one O(18), one O(20), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the fifth Li site, Li(5) is bonded to one O(10), one O(11), one O(15), one O(17), one O(19), and one O(2) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. In the sixth Li site, Li(6) is bonded to one O(1), one O(12), one O(16), one O(18), one O(20), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the seventh Li site, Li(7) is bonded to one O(1), one O(15), one O(17), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the eighth Li site, Li(8) is bonded to one O(10), one O(16), one O(18), one O(2), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the ninth Li site, Li(9) is bonded to one O(11), one O(13), one O(19), one O(3), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Nb(3)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the tenth Li site, Li(10) is bonded to one O(12), one O(14), one O(20), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Nb(4)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(12), one O(16), one O(17), one O(5), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second Nb site, Nb(2) is bonded to one O(10), one O(11), one O(15), one O(18), one O(2), and one O(6) atom to form NbO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the third Nb site, Nb(3) is bonded to one O(10), one O(11), one O(14), one O(19), one O(3), and one O(7) atom to form NbO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth Nb site, Nb(4) is bonded to one O(12), one O(13), one O(20), one O(4), one O(8), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(15), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Fe site, Fe(2) is bonded to one O(15), one O(17), one O(2), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third Fe site, Fe(3) is bonded to one O(14), one O(2), one O(20), one O(3), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(13), one O(16), one O(4), one O(5), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(16), one O(18), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(13), one O(19), one O(4), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Li(6), one Li(7), one Nb(1), one Fe(4), one Fe(5), and one Fe(6) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(6)Li2NbFe3 octahedra,  a cornercorner with one O(15)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li4Nb2 octahedra,  a cornercorner with one O(19)Li4NbFe octahedra,  a cornercorner with one O(20)Li4NbFe octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra,  an edgeedge with one O(18)Li4NbFe octahedra, edges with two equivalent O(5)Li2NbFe3 octahedra, and edges with two equivalent O(16)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second O site, O(2) is bonded to one Li(5), one Li(8), one Nb(2), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(16)Li3NbFe2 octahedra,  a cornercorner with one O(10)Li4Nb2 octahedra,  a cornercorner with one O(19)Li4NbFe octahedra,  a cornercorner with one O(20)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra,  an edgeedge with one O(18)Li4NbFe octahedra, edges with two equivalent O(6)Li2NbFe3 octahedra, and edges with two equivalent O(15)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the third O site, O(3) is bonded to one Li(4), one Li(9), one Nb(3), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(13)Li3NbFe2 octahedra,  a cornercorner with one O(11)Li4Nb2 octahedra,  a cornercorner with one O(17)Li4NbFe octahedra,  a cornercorner with one O(18)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(19)Li4NbFe octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(7)Li2NbFe3 octahedra, and edges with two equivalent O(14)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the fourth O site, O(4) is bonded to one Li(10), one Li(3), one Nb(4), one Fe(4), one Fe(5), and one Fe(6) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(14)Li3NbFe2 octahedra,  a cornercorner with one O(12)Li4Nb2 octahedra,  a cornercorner with one O(17)Li4NbFe octahedra,  a cornercorner with one O(18)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(19)Li4NbFe octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(8)Li2NbFe3 octahedra, and edges with two equivalent O(13)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the fifth O site, O(5) is bonded to one Li(7), one Li(9), one Nb(1), one Fe(2), one Fe(4), and one Fe(6) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(13)Li3NbFe2 octahedra,  a cornercorner with one O(11)Li4Nb2 octahedra,  a cornercorner with one O(12)Li4Nb2 octahedra,  a cornercorner with one O(17)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra,  an edgeedge with one O(19)Li4NbFe octahedra, edges with two equivalent O(1)Li2NbFe3 octahedra, and edges with two equivalent O(7)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth O site, O(6) is bonded to one Li(10), one Li(8), one Nb(2), one Fe(1), one Fe(3), and one Fe(5) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(14)Li3NbFe2 octahedra,  a cornercorner with one O(11)Li4Nb2 octahedra,  a cornercorner with one O(12)Li4Nb2 octahedra,  a cornercorner with one O(18)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(18)Li4NbFe octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(2)Li2NbFe3 octahedra, and edges with two equivalent O(8)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the seventh O site, O(7) is bonded to one Li(7), one Li(9), one Nb(3), one Fe(1), one Fe(2), and one Fe(6) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(6)Li2NbFe3 octahedra,  a cornercorner with one O(15)Li3NbFe2 octahedra,  a cornercorner with one O(10)Li4Nb2 octahedra,  a cornercorner with one O(9)Li4Nb2 octahedra,  a cornercorner with one O(19)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra,  an edgeedge with one O(19)Li4NbFe octahedra, edges with two equivalent O(3)Li2NbFe3 octahedra, and edges with two equivalent O(5)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the eighth O site, O(8) is bonded to one Li(10), one Li(8), one Nb(4), one Fe(3), one Fe(4), and one Fe(5) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(16)Li3NbFe2 octahedra,  a cornercorner with one O(10)Li4Nb2 octahedra,  a cornercorner with one O(9)Li4Nb2 octahedra,  a cornercorner with one O(20)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(18)Li4NbFe octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(4)Li2NbFe3 octahedra, and edges with two equivalent O(6)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(6), one Li(7), one Nb(1), and one Nb(4) atom to form OLi4Nb2 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(13)Li3NbFe2 octahedra,  a cornercorner with one O(11)Li4Nb2 octahedra,  a cornercorner with one O(18)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(19)Li4NbFe octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(12)Li4Nb2 octahedra, and edges with two equivalent O(17)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(5), one Li(8), one Nb(2), and one Nb(3) atom to form OLi4Nb2 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(14)Li3NbFe2 octahedra,  a cornercorner with one O(12)Li4Nb2 octahedra,  a cornercorner with one O(17)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(19)Li4NbFe octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(11)Li4Nb2 octahedra, and edges with two equivalent O(18)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(5), one Li(9), one Nb(2), and one Nb(3) atom to form OLi4Nb2 octahedra that share  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(6)Li2NbFe3 octahedra,  a cornercorner with one O(15)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li4Nb2 octahedra,  a cornercorner with one O(20)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra,  an edgeedge with one O(18)Li4NbFe octahedra, edges with two equivalent O(10)Li4Nb2 octahedra, and edges with two equivalent O(19)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the twelfth O site, O(12) is bonded to one Li(10), one Li(2), one Li(3), one Li(6), one Nb(1), and one Nb(4) atom to form OLi4Nb2 octahedra that share  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(6)Li2NbFe3 octahedra,  a cornercorner with one O(16)Li3NbFe2 octahedra,  a cornercorner with one O(10)Li4Nb2 octahedra,  a cornercorner with one O(19)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra,  an edgeedge with one O(18)Li4NbFe octahedra, edges with two equivalent O(9)Li4Nb2 octahedra, and edges with two equivalent O(20)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(3), one Li(9), one Nb(4), one Fe(4), and one Fe(6) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(15)Li3NbFe2 octahedra,  a cornercorner with one O(16)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li4Nb2 octahedra,  a cornercorner with one O(20)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra, edges with two equivalent O(4)Li2NbFe3 octahedra, and edges with two equivalent O(19)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the fourteenth O site, O(14) is bonded to one Li(10), one Li(2), one Li(4), one Nb(3), one Fe(1), and one Fe(3) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(6)Li2NbFe3 octahedra,  a cornercorner with one O(15)Li3NbFe2 octahedra,  a cornercorner with one O(16)Li3NbFe2 octahedra,  a cornercorner with one O(10)Li4Nb2 octahedra,  a cornercorner with one O(19)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(18)Li4NbFe octahedra, edges with two equivalent O(3)Li2NbFe3 octahedra, and edges with two equivalent O(20)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(5), one Li(7), one Nb(2), one Fe(1), and one Fe(2) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(13)Li3NbFe2 octahedra,  a cornercorner with one O(14)Li3NbFe2 octahedra,  a cornercorner with one O(11)Li4Nb2 octahedra,  a cornercorner with one O(18)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(19)Li4NbFe octahedra, edges with two equivalent O(2)Li2NbFe3 octahedra, and edges with two equivalent O(17)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(6), one Li(8), one Nb(1), one Fe(4), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(13)Li3NbFe2 octahedra,  a cornercorner with one O(14)Li3NbFe2 octahedra,  a cornercorner with one O(12)Li4Nb2 octahedra,  a cornercorner with one O(17)Li4NbFe octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(1)Li2NbFe3 octahedra, and edges with two equivalent O(18)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Nb(1), and one Fe(2) atom to form OLi4NbFe octahedra that share  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(16)Li3NbFe2 octahedra,  a cornercorner with one O(10)Li4Nb2 octahedra,  a cornercorner with one O(19)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(19)Li4NbFe octahedra, edges with two equivalent O(15)Li3NbFe2 octahedra, and edges with two equivalent O(9)Li4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the eighteenth O site, O(18) is bonded to one Li(2), one Li(4), one Li(6), one Li(8), one Nb(2), and one Fe(5) atom to form OLi4NbFe octahedra that share  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(6)Li2NbFe3 octahedra,  a cornercorner with one O(15)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li4Nb2 octahedra,  a cornercorner with one O(20)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(16)Li3NbFe2 octahedra, and edges with two equivalent O(10)Li4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the nineteenth O site, O(19) is bonded to one Li(1), one Li(3), one Li(5), one Li(9), one Nb(3), and one Fe(6) atom to form OLi4NbFe octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(14)Li3NbFe2 octahedra,  a cornercorner with one O(12)Li4Nb2 octahedra,  a cornercorner with one O(17)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra, edges with two equivalent O(13)Li3NbFe2 octahedra, and edges with two equivalent O(11)Li4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the twentieth O site, O(20) is bonded to one Li(10), one Li(2), one Li(4), one Li(6), one Nb(4), and one Fe(3) atom to form OLi4NbFe octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(13)Li3NbFe2 octahedra,  a cornercorner with one O(11)Li4Nb2 octahedra,  a cornercorner with one O(18)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(18)Li4NbFe octahedra, edges with two equivalent O(14)Li3NbFe2 octahedra, and edges with two equivalent O(12)Li4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°.
Li5Nb2Fe3O10 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(13), one O(15), one O(17), one O(19), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. The Li(1)-O(11) bond length is 2.13 Å. The Li(1)-O(13) bond length is 2.23 Å. The Li(1)-O(15) bond length is 2.27 Å. The Li(1)-O(17) bond length is 2.15 Å. The Li(1)-O(19) bond length is 2.15 Å. The Li(1)-O(9) bond length is 2.09 Å. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(18), and one O(20) atom to form LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. The Li(2)-O(10) bond length is 2.11 Å. The Li(2)-O(12) bond length is 2.12 Å. The Li(2)-O(14) bond length is 2.26 Å. The Li(2)-O(16) bond length is 2.24 Å. The Li(2)-O(18) bond length is 2.13 Å. The Li(2)-O(20) bond length is 2.16 Å. In the third Li site, Li(3) is bonded to one O(12), one O(13), one O(17), one O(19), one O(4), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. The Li(3)-O(12) bond length is 2.38 Å. The Li(3)-O(13) bond length is 2.18 Å. The Li(3)-O(17) bond length is 2.12 Å. The Li(3)-O(19) bond length is 2.16 Å. The Li(3)-O(4) bond length is 2.19 Å. The Li(3)-O(9) bond length is 2.14 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(14), one O(18), one O(20), and one O(3) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. The Li(4)-O(10) bond length is 2.16 Å. The Li(4)-O(11) bond length is 2.38 Å. The Li(4)-O(14) bond length is 2.17 Å. The Li(4)-O(18) bond length is 2.16 Å. The Li(4)-O(20) bond length is 2.14 Å. The Li(4)-O(3) bond length is 2.19 Å. In the fifth Li site, Li(5) is bonded to one O(10), one O(11), one O(15), one O(17), one O(19), and one O(2) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. The Li(5)-O(10) bond length is 2.39 Å. The Li(5)-O(11) bond length is 2.16 Å. The Li(5)-O(15) bond length is 2.17 Å. The Li(5)-O(17) bond length is 2.15 Å. The Li(5)-O(19) bond length is 2.12 Å. The Li(5)-O(2) bond length is 2.18 Å. In the sixth Li site, Li(6) is bonded to one O(1), one O(12), one O(16), one O(18), one O(20), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. The Li(6)-O(1) bond length is 2.18 Å. The Li(6)-O(12) bond length is 2.15 Å. The Li(6)-O(16) bond length is 2.11 Å. The Li(6)-O(18) bond length is 2.18 Å. The Li(6)-O(20) bond length is 2.12 Å. The Li(6)-O(9) bond length is 2.39 Å. In the seventh Li site, Li(7) is bonded to one O(1), one O(15), one O(17), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. The Li(7)-O(1) bond length is 2.23 Å. The Li(7)-O(15) bond length is 2.33 Å. The Li(7)-O(17) bond length is 2.13 Å. The Li(7)-O(5) bond length is 2.17 Å. The Li(7)-O(7) bond length is 2.32 Å. The Li(7)-O(9) bond length is 2.19 Å. In the eighth Li site, Li(8) is bonded to one O(10), one O(16), one O(18), one O(2), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. The Li(8)-O(10) bond length is 2.20 Å. The Li(8)-O(16) bond length is 2.32 Å. The Li(8)-O(18) bond length is 2.15 Å. The Li(8)-O(2) bond length is 2.19 Å. The Li(8)-O(6) bond length is 2.17 Å. The Li(8)-O(8) bond length is 2.31 Å. In the ninth Li site, Li(9) is bonded to one O(11), one O(13), one O(19), one O(3), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Nb(3)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. The Li(9)-O(11) bond length is 2.17 Å. The Li(9)-O(13) bond length is 2.30 Å. The Li(9)-O(19) bond length is 2.15 Å. The Li(9)-O(3) bond length is 2.20 Å. The Li(9)-O(5) bond length is 2.32 Å. The Li(9)-O(7) bond length is 2.15 Å. In the tenth Li site, Li(10) is bonded to one O(12), one O(14), one O(20), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Nb(4)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. The Li(10)-O(12) bond length is 2.17 Å. The Li(10)-O(14) bond length is 2.31 Å. The Li(10)-O(20) bond length is 2.14 Å. The Li(10)-O(4) bond length is 2.18 Å. The Li(10)-O(6) bond length is 2.34 Å. The Li(10)-O(8) bond length is 2.09 Å. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(12), one O(16), one O(17), one O(5), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. The Nb(1)-O(1) bond length is 2.08 Å. The Nb(1)-O(12) bond length is 2.07 Å. The Nb(1)-O(16) bond length is 2.08 Å. The Nb(1)-O(17) bond length is 1.97 Å. The Nb(1)-O(5) bond length is 2.14 Å. The Nb(1)-O(9) bond length is 2.10 Å. In the second Nb site, Nb(2) is bonded to one O(10), one O(11), one O(15), one O(18), one O(2), and one O(6) atom to form NbO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Nb(2)-O(10) bond length is 2.12 Å. The Nb(2)-O(11) bond length is 2.05 Å. The Nb(2)-O(15) bond length is 2.10 Å. The Nb(2)-O(18) bond length is 1.95 Å. The Nb(2)-O(2) bond length is 2.05 Å. The Nb(2)-O(6) bond length is 2.16 Å. In the third Nb site, Nb(3) is bonded to one O(10), one O(11), one O(14), one O(19), one O(3), and one O(7) atom to form NbO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. The Nb(3)-O(10) bond length is 2.07 Å. The Nb(3)-O(11) bond length is 2.13 Å. The Nb(3)-O(14) bond length is 2.11 Å. The Nb(3)-O(19) bond length is 1.96 Å. The Nb(3)-O(3) bond length is 2.05 Å. The Nb(3)-O(7) bond length is 2.14 Å. In the fourth Nb site, Nb(4) is bonded to one O(12), one O(13), one O(20), one O(4), one O(8), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. The Nb(4)-O(12) bond length is 2.11 Å. The Nb(4)-O(13) bond length is 2.12 Å. The Nb(4)-O(20) bond length is 1.96 Å. The Nb(4)-O(4) bond length is 2.06 Å. The Nb(4)-O(8) bond length is 2.11 Å. The Nb(4)-O(9) bond length is 2.09 Å. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(15), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Fe(1)-O(14) bond length is 2.11 Å. The Fe(1)-O(15) bond length is 2.11 Å. The Fe(1)-O(2) bond length is 2.22 Å. The Fe(1)-O(3) bond length is 2.22 Å. The Fe(1)-O(6) bond length is 2.22 Å. The Fe(1)-O(7) bond length is 2.18 Å. In the second Fe site, Fe(2) is bonded to one O(15), one O(17), one O(2), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. The Fe(2)-O(15) bond length is 2.12 Å. The Fe(2)-O(17) bond length is 2.19 Å. The Fe(2)-O(2) bond length is 2.21 Å. The Fe(2)-O(3) bond length is 2.23 Å. The Fe(2)-O(5) bond length is 2.15 Å. The Fe(2)-O(7) bond length is 2.12 Å. In the third Fe site, Fe(3) is bonded to one O(14), one O(2), one O(20), one O(3), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. The Fe(3)-O(14) bond length is 2.11 Å. The Fe(3)-O(2) bond length is 2.24 Å. The Fe(3)-O(20) bond length is 2.20 Å. The Fe(3)-O(3) bond length is 2.21 Å. The Fe(3)-O(6) bond length is 2.12 Å. The Fe(3)-O(8) bond length is 2.15 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(13), one O(16), one O(4), one O(5), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. The Fe(4)-O(1) bond length is 2.24 Å. The Fe(4)-O(13) bond length is 2.13 Å. The Fe(4)-O(16) bond length is 2.11 Å. The Fe(4)-O(4) bond length is 2.22 Å. The Fe(4)-O(5) bond length is 2.18 Å. The Fe(4)-O(8) bond length is 2.16 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(16), one O(18), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. The Fe(5)-O(1) bond length is 2.13 Å. The Fe(5)-O(16) bond length is 2.18 Å. The Fe(5)-O(18) bond length is 2.20 Å. The Fe(5)-O(4) bond length is 2.19 Å. The Fe(5)-O(6) bond length is 2.12 Å. The Fe(5)-O(8) bond length is 2.20 Å. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(13), one O(19), one O(4), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. The Fe(6)-O(1) bond length is 2.23 Å. The Fe(6)-O(13) bond length is 2.10 Å. The Fe(6)-O(19) bond length is 2.19 Å. The Fe(6)-O(4) bond length is 2.21 Å. The Fe(6)-O(5) bond length is 2.13 Å. The Fe(6)-O(7) bond length is 2.16 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Li(6), one Li(7), one Nb(1), one Fe(4), one Fe(5), and one Fe(6) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(6)Li2NbFe3 octahedra,  a cornercorner with one O(15)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li4Nb2 octahedra,  a cornercorner with one O(19)Li4NbFe octahedra,  a cornercorner with one O(20)Li4NbFe octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra,  an edgeedge with one O(18)Li4NbFe octahedra, edges with two equivalent O(5)Li2NbFe3 octahedra, and edges with two equivalent O(16)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second O site, O(2) is bonded to one Li(5), one Li(8), one Nb(2), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(16)Li3NbFe2 octahedra,  a cornercorner with one O(10)Li4Nb2 octahedra,  a cornercorner with one O(19)Li4NbFe octahedra,  a cornercorner with one O(20)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra,  an edgeedge with one O(18)Li4NbFe octahedra, edges with two equivalent O(6)Li2NbFe3 octahedra, and edges with two equivalent O(15)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the third O site, O(3) is bonded to one Li(4), one Li(9), one Nb(3), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(13)Li3NbFe2 octahedra,  a cornercorner with one O(11)Li4Nb2 octahedra,  a cornercorner with one O(17)Li4NbFe octahedra,  a cornercorner with one O(18)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(19)Li4NbFe octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(7)Li2NbFe3 octahedra, and edges with two equivalent O(14)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the fourth O site, O(4) is bonded to one Li(10), one Li(3), one Nb(4), one Fe(4), one Fe(5), and one Fe(6) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(14)Li3NbFe2 octahedra,  a cornercorner with one O(12)Li4Nb2 octahedra,  a cornercorner with one O(17)Li4NbFe octahedra,  a cornercorner with one O(18)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(19)Li4NbFe octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(8)Li2NbFe3 octahedra, and edges with two equivalent O(13)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the fifth O site, O(5) is bonded to one Li(7), one Li(9), one Nb(1), one Fe(2), one Fe(4), and one Fe(6) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(13)Li3NbFe2 octahedra,  a cornercorner with one O(11)Li4Nb2 octahedra,  a cornercorner with one O(12)Li4Nb2 octahedra,  a cornercorner with one O(17)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra,  an edgeedge with one O(19)Li4NbFe octahedra, edges with two equivalent O(1)Li2NbFe3 octahedra, and edges with two equivalent O(7)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth O site, O(6) is bonded to one Li(10), one Li(8), one Nb(2), one Fe(1), one Fe(3), and one Fe(5) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(14)Li3NbFe2 octahedra,  a cornercorner with one O(11)Li4Nb2 octahedra,  a cornercorner with one O(12)Li4Nb2 octahedra,  a cornercorner with one O(18)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(18)Li4NbFe octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(2)Li2NbFe3 octahedra, and edges with two equivalent O(8)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the seventh O site, O(7) is bonded to one Li(7), one Li(9), one Nb(3), one Fe(1), one Fe(2), and one Fe(6) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(6)Li2NbFe3 octahedra,  a cornercorner with one O(15)Li3NbFe2 octahedra,  a cornercorner with one O(10)Li4Nb2 octahedra,  a cornercorner with one O(9)Li4Nb2 octahedra,  a cornercorner with one O(19)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra,  an edgeedge with one O(19)Li4NbFe octahedra, edges with two equivalent O(3)Li2NbFe3 octahedra, and edges with two equivalent O(5)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the eighth O site, O(8) is bonded to one Li(10), one Li(8), one Nb(4), one Fe(3), one Fe(4), and one Fe(5) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(16)Li3NbFe2 octahedra,  a cornercorner with one O(10)Li4Nb2 octahedra,  a cornercorner with one O(9)Li4Nb2 octahedra,  a cornercorner with one O(20)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(18)Li4NbFe octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(4)Li2NbFe3 octahedra, and edges with two equivalent O(6)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(6), one Li(7), one Nb(1), and one Nb(4) atom to form OLi4Nb2 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(13)Li3NbFe2 octahedra,  a cornercorner with one O(11)Li4Nb2 octahedra,  a cornercorner with one O(18)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(19)Li4NbFe octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(12)Li4Nb2 octahedra, and edges with two equivalent O(17)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(5), one Li(8), one Nb(2), and one Nb(3) atom to form OLi4Nb2 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(14)Li3NbFe2 octahedra,  a cornercorner with one O(12)Li4Nb2 octahedra,  a cornercorner with one O(17)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(19)Li4NbFe octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(11)Li4Nb2 octahedra, and edges with two equivalent O(18)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(5), one Li(9), one Nb(2), and one Nb(3) atom to form OLi4Nb2 octahedra that share  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(6)Li2NbFe3 octahedra,  a cornercorner with one O(15)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li4Nb2 octahedra,  a cornercorner with one O(20)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra,  an edgeedge with one O(18)Li4NbFe octahedra, edges with two equivalent O(10)Li4Nb2 octahedra, and edges with two equivalent O(19)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the twelfth O site, O(12) is bonded to one Li(10), one Li(2), one Li(3), one Li(6), one Nb(1), and one Nb(4) atom to form OLi4Nb2 octahedra that share  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(6)Li2NbFe3 octahedra,  a cornercorner with one O(16)Li3NbFe2 octahedra,  a cornercorner with one O(10)Li4Nb2 octahedra,  a cornercorner with one O(19)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra,  an edgeedge with one O(18)Li4NbFe octahedra, edges with two equivalent O(9)Li4Nb2 octahedra, and edges with two equivalent O(20)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(3), one Li(9), one Nb(4), one Fe(4), and one Fe(6) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(15)Li3NbFe2 octahedra,  a cornercorner with one O(16)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li4Nb2 octahedra,  a cornercorner with one O(20)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra, edges with two equivalent O(4)Li2NbFe3 octahedra, and edges with two equivalent O(19)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the fourteenth O site, O(14) is bonded to one Li(10), one Li(2), one Li(4), one Nb(3), one Fe(1), and one Fe(3) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(6)Li2NbFe3 octahedra,  a cornercorner with one O(15)Li3NbFe2 octahedra,  a cornercorner with one O(16)Li3NbFe2 octahedra,  a cornercorner with one O(10)Li4Nb2 octahedra,  a cornercorner with one O(19)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(18)Li4NbFe octahedra, edges with two equivalent O(3)Li2NbFe3 octahedra, and edges with two equivalent O(20)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(5), one Li(7), one Nb(2), one Fe(1), and one Fe(2) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(13)Li3NbFe2 octahedra,  a cornercorner with one O(14)Li3NbFe2 octahedra,  a cornercorner with one O(11)Li4Nb2 octahedra,  a cornercorner with one O(18)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(19)Li4NbFe octahedra, edges with two equivalent O(2)Li2NbFe3 octahedra, and edges with two equivalent O(17)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(6), one Li(8), one Nb(1), one Fe(4), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(13)Li3NbFe2 octahedra,  a cornercorner with one O(14)Li3NbFe2 octahedra,  a cornercorner with one O(12)Li4Nb2 octahedra,  a cornercorner with one O(17)Li4NbFe octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(1)Li2NbFe3 octahedra, and edges with two equivalent O(18)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Nb(1), and one Fe(2) atom to form OLi4NbFe octahedra that share  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(5)Li2NbFe3 octahedra,  a cornercorner with one O(16)Li3NbFe2 octahedra,  a cornercorner with one O(10)Li4Nb2 octahedra,  a cornercorner with one O(19)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(13)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(19)Li4NbFe octahedra, edges with two equivalent O(15)Li3NbFe2 octahedra, and edges with two equivalent O(9)Li4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the eighteenth O site, O(18) is bonded to one Li(2), one Li(4), one Li(6), one Li(8), one Nb(2), and one Fe(5) atom to form OLi4NbFe octahedra that share  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(6)Li2NbFe3 octahedra,  a cornercorner with one O(15)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li4Nb2 octahedra,  a cornercorner with one O(20)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(14)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li4Nb2 octahedra,  an edgeedge with one O(12)Li4Nb2 octahedra,  an edgeedge with one O(20)Li4NbFe octahedra, edges with two equivalent O(16)Li3NbFe2 octahedra, and edges with two equivalent O(10)Li4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the nineteenth O site, O(19) is bonded to one Li(1), one Li(3), one Li(5), one Li(9), one Nb(3), and one Fe(6) atom to form OLi4NbFe octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(14)Li3NbFe2 octahedra,  a cornercorner with one O(12)Li4Nb2 octahedra,  a cornercorner with one O(17)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(15)Li3NbFe2 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(17)Li4NbFe octahedra, edges with two equivalent O(13)Li3NbFe2 octahedra, and edges with two equivalent O(11)Li4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the twentieth O site, O(20) is bonded to one Li(10), one Li(2), one Li(4), one Li(6), one Nb(4), and one Fe(3) atom to form OLi4NbFe octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(13)Li3NbFe2 octahedra,  a cornercorner with one O(11)Li4Nb2 octahedra,  a cornercorner with one O(18)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(16)Li3NbFe2 octahedra,  an edgeedge with one O(10)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4Nb2 octahedra,  an edgeedge with one O(18)Li4NbFe octahedra, edges with two equivalent O(14)Li3NbFe2 octahedra, and edges with two equivalent O(12)Li4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°.