Li5Nb2Fe3O10 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  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 Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second Li site, Li(2) is bonded to one O(2), one O(7), two equivalent O(6), and two equivalent O(9) atoms 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 Fe(2)O6 octahedra, corners with two equivalent Fe(4)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the third Li site, Li(3) is bonded to one O(1), one O(8), two equivalent O(10), and two equivalent O(5) atoms 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 Fe(4)O6 octahedra, corners with two equivalent Fe(2)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(5), one O(8), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fifth Li site, Li(5) is bonded to one O(2), one O(6), one O(7), one O(9), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(4)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 Nb(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form NbO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(5)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 Nb(1)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, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)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(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)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 Nb(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Nb(2), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li4Nb2 octahedra,  a cornercorner with one O(10)Li4NbFe octahedra,  a cornercorner with one O(9)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li3NbFe2 octahedra, edges with two equivalent O(8)Li3NbFe2 octahedra, edges with two equivalent O(5)Li4Nb2 octahedra, edges with two equivalent O(10)Li4NbFe octahedra, and edges with three equivalent O(3)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Nb(1), one Fe(1), one Fe(2), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li4Nb2 octahedra,  a cornercorner with one O(10)Li4NbFe octahedra,  a cornercorner with one O(9)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li3NbFe2 octahedra, edges with two equivalent O(7)Li3NbFe2 octahedra, edges with two equivalent O(6)Li4Nb2 octahedra, edges with two equivalent O(9)Li4NbFe octahedra, and edges with three equivalent O(4)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third O site, O(3) is bonded to two equivalent Li(4), one Nb(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li4Nb2 octahedra,  a cornercorner with one O(6)Li4Nb2 octahedra,  a cornercorner with one O(10)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li4Nb2 octahedra,  an edgeedge with one O(10)Li4NbFe octahedra,  an edgeedge with one O(9)Li4NbFe octahedra, edges with three equivalent O(1)Li2NbFe3 octahedra, and edges with three equivalent O(8)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to two equivalent Li(5), one Nb(2), one Fe(1), one Fe(2), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li4Nb2 octahedra,  a cornercorner with one O(6)Li4Nb2 octahedra,  a cornercorner with one O(9)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li4Nb2 octahedra,  an edgeedge with one O(10)Li4NbFe octahedra,  an edgeedge with one O(9)Li4NbFe octahedra, edges with three equivalent O(2)Li2NbFe3 octahedra, and edges with three equivalent O(7)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), two equivalent Li(3), one Nb(1), and one Nb(2) atom to form OLi4Nb2 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li4Nb2 octahedra,  a cornercorner with one O(10)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li4Nb2 octahedra,  an edgeedge with one O(6)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4NbFe octahedra, edges with two equivalent O(1)Li2NbFe3 octahedra, edges with two equivalent O(8)Li3NbFe2 octahedra, and edges with three equivalent O(10)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the sixth O site, O(6) is bonded to one Li(1), one Li(5), two equivalent Li(2), one Nb(1), and one Nb(2) atom to form OLi4Nb2 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li4Nb2 octahedra,  a cornercorner with one O(9)Li4NbFe octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li4Nb2 octahedra,  an edgeedge with one O(6)Li4Nb2 octahedra,  an edgeedge with one O(10)Li4NbFe octahedra, edges with two equivalent O(2)Li2NbFe3 octahedra, edges with two equivalent O(7)Li3NbFe2 octahedra, and edges with three equivalent O(9)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(5), one Nb(2), one Fe(1), and one Fe(4) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li3NbFe2 octahedra,  a cornercorner with one O(8)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li4Nb2 octahedra,  a cornercorner with one O(10)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li4Nb2 octahedra,  an edgeedge with one O(10)Li4NbFe octahedra, edges with two equivalent O(2)Li2NbFe3 octahedra, edges with two equivalent O(6)Li4Nb2 octahedra, edges with two equivalent O(9)Li4NbFe octahedra, and edges with three equivalent O(4)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Nb(1), one Fe(2), and one Fe(3) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li3NbFe2 octahedra,  a cornercorner with one O(8)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li4Nb2 octahedra,  a cornercorner with one O(9)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4NbFe octahedra, edges with two equivalent O(1)Li2NbFe3 octahedra, edges with two equivalent O(5)Li4Nb2 octahedra, edges with two equivalent O(10)Li4NbFe octahedra, and edges with three equivalent O(3)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the ninth O site, O(9) is bonded to one Li(1), one Li(5), two equivalent Li(2), one Nb(1), and one Fe(2) 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(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li4Nb2 octahedra,  a cornercorner with one O(10)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4NbFe octahedra, edges with two equivalent O(2)Li2NbFe3 octahedra, edges with two equivalent O(7)Li3NbFe2 octahedra, and edges with three equivalent O(6)Li4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), two equivalent Li(3), one Nb(2), and one Fe(4) 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(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li4Nb2 octahedra,  a cornercorner with one O(9)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li4Nb2 octahedra,  an edgeedge with one O(10)Li4NbFe octahedra, edges with two equivalent O(1)Li2NbFe3 octahedra, edges with two equivalent O(8)Li3NbFe2 octahedra, and edges with three equivalent O(5)Li4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°.
Li5Nb2Fe3O10 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  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 Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. The Li(1)-O(10) bond length is 2.15 Å. The Li(1)-O(5) bond length is 2.12 Å. The Li(1)-O(6) bond length is 2.11 Å. The Li(1)-O(7) bond length is 2.24 Å. The Li(1)-O(8) bond length is 2.23 Å. The Li(1)-O(9) bond length is 2.14 Å. In the second Li site, Li(2) is bonded to one O(2), one O(7), two equivalent O(6), and two equivalent O(9) atoms 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 Fe(2)O6 octahedra, corners with two equivalent Fe(4)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. The Li(2)-O(2) bond length is 2.17 Å. The Li(2)-O(7) bond length is 2.17 Å. There is one shorter (2.15 Å) and one longer (2.41 Å) Li(2)-O(6) bond length. There is one shorter (2.11 Å) and one longer (2.16 Å) Li(2)-O(9) bond length. In the third Li site, Li(3) is bonded to one O(1), one O(8), two equivalent O(10), and two equivalent O(5) atoms 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 Fe(4)O6 octahedra, corners with two equivalent Fe(2)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. The Li(3)-O(1) bond length is 2.17 Å. The Li(3)-O(8) bond length is 2.17 Å. There is one shorter (2.11 Å) and one longer (2.16 Å) Li(3)-O(10) bond length. There is one shorter (2.15 Å) and one longer (2.40 Å) Li(3)-O(5) bond length. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(5), one O(8), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. The Li(4)-O(1) bond length is 2.19 Å. The Li(4)-O(10) bond length is 2.13 Å. The Li(4)-O(5) bond length is 2.17 Å. The Li(4)-O(8) bond length is 2.33 Å. There is one shorter (2.15 Å) and one longer (2.32 Å) Li(4)-O(3) bond length. In the fifth Li site, Li(5) is bonded to one O(2), one O(6), one O(7), one O(9), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. The Li(5)-O(2) bond length is 2.18 Å. The Li(5)-O(6) bond length is 2.16 Å. The Li(5)-O(7) bond length is 2.33 Å. The Li(5)-O(9) bond length is 2.14 Å. There is one shorter (2.15 Å) and one longer (2.31 Å) Li(5)-O(4) bond length. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(4)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 Nb(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. The Nb(1)-O(2) bond length is 2.05 Å. The Nb(1)-O(3) bond length is 2.13 Å. The Nb(1)-O(5) bond length is 2.11 Å. The Nb(1)-O(6) bond length is 2.07 Å. The Nb(1)-O(8) bond length is 2.12 Å. The Nb(1)-O(9) bond length is 1.96 Å. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form NbO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(5)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 Nb(1)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, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. The Nb(2)-O(1) bond length is 2.05 Å. The Nb(2)-O(10) bond length is 1.96 Å. The Nb(2)-O(4) bond length is 2.14 Å. The Nb(2)-O(5) bond length is 2.07 Å. The Nb(2)-O(6) bond length is 2.11 Å. The Nb(2)-O(7) bond length is 2.12 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. Both Fe(1)-O(2) bond lengths are 2.22 Å. Both Fe(1)-O(4) bond lengths are 2.18 Å. Both Fe(1)-O(7) bond lengths are 2.11 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)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(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. The Fe(2)-O(1) bond length is 2.23 Å. The Fe(2)-O(2) bond length is 2.21 Å. The Fe(2)-O(3) bond length is 2.16 Å. The Fe(2)-O(4) bond length is 2.12 Å. The Fe(2)-O(8) bond length is 2.10 Å. The Fe(2)-O(9) bond length is 2.20 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. Both Fe(3)-O(1) bond lengths are 2.22 Å. Both Fe(3)-O(3) bond lengths are 2.18 Å. Both Fe(3)-O(8) bond lengths are 2.11 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)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 Nb(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. The Fe(4)-O(1) bond length is 2.21 Å. The Fe(4)-O(10) bond length is 2.19 Å. The Fe(4)-O(2) bond length is 2.23 Å. The Fe(4)-O(3) bond length is 2.13 Å. The Fe(4)-O(4) bond length is 2.16 Å. The Fe(4)-O(7) bond length is 2.09 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Nb(2), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li4Nb2 octahedra,  a cornercorner with one O(10)Li4NbFe octahedra,  a cornercorner with one O(9)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li3NbFe2 octahedra, edges with two equivalent O(8)Li3NbFe2 octahedra, edges with two equivalent O(5)Li4Nb2 octahedra, edges with two equivalent O(10)Li4NbFe octahedra, and edges with three equivalent O(3)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Nb(1), one Fe(1), one Fe(2), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li4Nb2 octahedra,  a cornercorner with one O(10)Li4NbFe octahedra,  a cornercorner with one O(9)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li3NbFe2 octahedra, edges with two equivalent O(7)Li3NbFe2 octahedra, edges with two equivalent O(6)Li4Nb2 octahedra, edges with two equivalent O(9)Li4NbFe octahedra, and edges with three equivalent O(4)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third O site, O(3) is bonded to two equivalent Li(4), one Nb(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li4Nb2 octahedra,  a cornercorner with one O(6)Li4Nb2 octahedra,  a cornercorner with one O(10)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li4Nb2 octahedra,  an edgeedge with one O(10)Li4NbFe octahedra,  an edgeedge with one O(9)Li4NbFe octahedra, edges with three equivalent O(1)Li2NbFe3 octahedra, and edges with three equivalent O(8)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to two equivalent Li(5), one Nb(2), one Fe(1), one Fe(2), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li4Nb2 octahedra,  a cornercorner with one O(6)Li4Nb2 octahedra,  a cornercorner with one O(9)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li4Nb2 octahedra,  an edgeedge with one O(10)Li4NbFe octahedra,  an edgeedge with one O(9)Li4NbFe octahedra, edges with three equivalent O(2)Li2NbFe3 octahedra, and edges with three equivalent O(7)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), two equivalent Li(3), one Nb(1), and one Nb(2) atom to form OLi4Nb2 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li4Nb2 octahedra,  a cornercorner with one O(10)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li4Nb2 octahedra,  an edgeedge with one O(6)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4NbFe octahedra, edges with two equivalent O(1)Li2NbFe3 octahedra, edges with two equivalent O(8)Li3NbFe2 octahedra, and edges with three equivalent O(10)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the sixth O site, O(6) is bonded to one Li(1), one Li(5), two equivalent Li(2), one Nb(1), and one Nb(2) atom to form OLi4Nb2 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li4Nb2 octahedra,  a cornercorner with one O(9)Li4NbFe octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li4Nb2 octahedra,  an edgeedge with one O(6)Li4Nb2 octahedra,  an edgeedge with one O(10)Li4NbFe octahedra, edges with two equivalent O(2)Li2NbFe3 octahedra, edges with two equivalent O(7)Li3NbFe2 octahedra, and edges with three equivalent O(9)Li4NbFe octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(5), one Nb(2), one Fe(1), and one Fe(4) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(2)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li3NbFe2 octahedra,  a cornercorner with one O(8)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li4Nb2 octahedra,  a cornercorner with one O(10)Li4NbFe octahedra,  an edgeedge with one O(1)Li2NbFe3 octahedra,  an edgeedge with one O(5)Li4Nb2 octahedra,  an edgeedge with one O(10)Li4NbFe octahedra, edges with two equivalent O(2)Li2NbFe3 octahedra, edges with two equivalent O(6)Li4Nb2 octahedra, edges with two equivalent O(9)Li4NbFe octahedra, and edges with three equivalent O(4)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Nb(1), one Fe(2), and one Fe(3) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(1)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li3NbFe2 octahedra,  a cornercorner with one O(8)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li4Nb2 octahedra,  a cornercorner with one O(9)Li4NbFe octahedra,  an edgeedge with one O(2)Li2NbFe3 octahedra,  an edgeedge with one O(6)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4NbFe octahedra, edges with two equivalent O(1)Li2NbFe3 octahedra, edges with two equivalent O(5)Li4Nb2 octahedra, edges with two equivalent O(10)Li4NbFe octahedra, and edges with three equivalent O(3)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the ninth O site, O(9) is bonded to one Li(1), one Li(5), two equivalent Li(2), one Nb(1), and one Fe(2) 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(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li4Nb2 octahedra,  a cornercorner with one O(10)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li4Nb2 octahedra,  an edgeedge with one O(9)Li4NbFe octahedra, edges with two equivalent O(2)Li2NbFe3 octahedra, edges with two equivalent O(7)Li3NbFe2 octahedra, and edges with three equivalent O(6)Li4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), two equivalent Li(3), one Nb(2), and one Fe(4) 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(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li4Nb2 octahedra,  a cornercorner with one O(9)Li4NbFe octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li4Nb2 octahedra,  an edgeedge with one O(10)Li4NbFe octahedra, edges with two equivalent O(1)Li2NbFe3 octahedra, edges with two equivalent O(8)Li3NbFe2 octahedra, and edges with three equivalent O(5)Li4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°.