The crystal structure described by Li5Nb2Fe5O12 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)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(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)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(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)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(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)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(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  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(2)O6 octahedra,  a cornercorner with one Fe(3)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 Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Nb(1)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  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(2)O6 octahedra,  a cornercorner with one Fe(3)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 Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Nb site, Nb(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  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(2)O6 octahedra,  a cornercorner with one Fe(3)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 Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), 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 Li(3)O6 octahedra,  a cornercorner with one Li(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(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Nb(2)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)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(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), 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(5)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)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(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), 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 Li(3)O6 octahedra,  a cornercorner with one Li(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(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Nb(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) 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 Li(3)O6 octahedra,  a cornercorner with one Li(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(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(5), one Nb(1), one Fe(2), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(12)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(10)Li3NbFe2 octahedra,  a cornercorner with one O(2)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li3NbFe2 octahedra,  an edgeedge with one O(2)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li3NbFe2 octahedra, edges with three equivalent O(5)Li3NbFe2 octahedra, and edges with three equivalent O(9)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Li(5), one Nb(1), one Fe(3), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(11)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(1)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(1)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li3NbFe2 octahedra, edges with three equivalent O(10)Li3NbFe2 octahedra, and edges with three equivalent O(6)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Nb(2), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(12)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(10)Li3NbFe2 octahedra,  a cornercorner with one O(2)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li3NbFe2 octahedra,  an edgeedge with one O(2)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li3NbFe2 octahedra, edges with three equivalent O(11)Li2NbFe3 octahedra, and edges with three equivalent O(7)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), 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(11)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(1)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(1)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li3NbFe2 octahedra, edges with three equivalent O(12)Li2NbFe3 octahedra, and edges with three equivalent O(8)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(5), one Nb(1), one Fe(2), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(12)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(10)Li3NbFe2 octahedra,  a cornercorner with one O(2)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li3NbFe2 octahedra,  an edgeedge with one O(2)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li3NbFe2 octahedra, edges with three equivalent O(1)Li3NbFe2 octahedra, and edges with three equivalent O(9)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Li(5), one Nb(1), one Fe(3), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(11)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(1)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(1)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li3NbFe2 octahedra, edges with three equivalent O(10)Li3NbFe2 octahedra, and edges with three equivalent O(2)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Nb(2), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(12)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(10)Li3NbFe2 octahedra,  a cornercorner with one O(2)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li3NbFe2 octahedra,  an edgeedge with one O(2)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li3NbFe2 octahedra, edges with three equivalent O(11)Li2NbFe3 octahedra, and edges with three equivalent O(3)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), 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(11)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(1)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(1)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li3NbFe2 octahedra, edges with three equivalent O(12)Li2NbFe3 octahedra, and edges with three equivalent O(4)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(5), one Nb(1), one Fe(2), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(12)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(10)Li3NbFe2 octahedra,  a cornercorner with one O(2)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li3NbFe2 octahedra,  an edgeedge with one O(2)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li3NbFe2 octahedra, edges with three equivalent O(1)Li3NbFe2 octahedra, and edges with three equivalent O(5)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Li(5), one Nb(1), one Fe(3), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(11)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(1)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(1)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li3NbFe2 octahedra, edges with three equivalent O(2)Li3NbFe2 octahedra, and edges with three equivalent O(6)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Nb(2), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(12)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(10)Li3NbFe2 octahedra,  a cornercorner with one O(2)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li3NbFe2 octahedra,  an edgeedge with one O(2)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li3NbFe2 octahedra, edges with three equivalent O(3)Li2NbFe3 octahedra, and edges with three equivalent O(7)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), 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(11)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(1)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(1)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li3NbFe2 octahedra, edges with three equivalent O(4)Li2NbFe3 octahedra, and edges with three equivalent O(8)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. is represented by the CIF file [CIF]
data_Li5Nb2Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.210
_cell_length_b   5.312
_cell_length_c   10.252
_cell_angle_alpha   84.062
_cell_angle_beta   77.771
_cell_angle_gamma   60.820
_symmetry_Int_Tables_number   1
_cell_volume   242.083
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.679  0.153  0.503  1.0
  Li  Li1  1  0.827  0.854  0.994  1.0
  Li  Li2  1  0.165  0.153  0.998  1.0
  Li  Li3  1  0.328  0.851  0.507  1.0
  Li  Li4  1  0.919  0.161  0.749  1.0
  Nb  Nb5  1  0.240  0.505  0.750  1.0
  Nb  Nb6  1  0.735  0.520  0.249  1.0
  Fe  Fe7  1  0.080  0.824  0.250  1.0
  Fe  Fe8  1  0.504  0.489  0.994  1.0
  Fe  Fe9  1  0.002  0.498  0.502  1.0
  Fe  Fe10  1  0.430  0.155  0.251  1.0
  Fe  Fe11  1  0.584  0.838  0.752  1.0
  O  O12  1  0.204  0.809  0.868  1.0
  O  O13  1  0.985  0.815  0.631  1.0
  O  O14  1  0.374  0.502  0.377  1.0
  O  O15  1  0.128  0.504  0.126  1.0
  O  O16  1  0.520  0.179  0.863  1.0
  O  O17  1  0.293  0.191  0.634  1.0
  O  O18  1  0.701  0.819  0.381  1.0
  O  O19  1  0.489  0.809  0.124  1.0
  O  O20  1  0.886  0.496  0.871  1.0
  O  O21  1  0.613  0.511  0.636  1.0
  O  O22  1  0.024  0.186  0.362  1.0
  O  O23  1  0.789  0.177  0.130  1.0
[/CIF]
.
The crystal structure described by Li5Nb2Fe5O12 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)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(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)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(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)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(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)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(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  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(2)O6 octahedra,  a cornercorner with one Fe(3)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 Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Nb(1)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  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(2)O6 octahedra,  a cornercorner with one Fe(3)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 Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Nb site, Nb(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  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(2)O6 octahedra,  a cornercorner with one Fe(3)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 Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), 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 Li(3)O6 octahedra,  a cornercorner with one Li(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(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Nb(2)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)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(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), 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(5)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)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(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), 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 Li(3)O6 octahedra,  a cornercorner with one Li(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(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Nb(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) 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 Li(3)O6 octahedra,  a cornercorner with one Li(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(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(5), one Nb(1), one Fe(2), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(12)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(10)Li3NbFe2 octahedra,  a cornercorner with one O(2)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li3NbFe2 octahedra,  an edgeedge with one O(2)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li3NbFe2 octahedra, edges with three equivalent O(5)Li3NbFe2 octahedra, and edges with three equivalent O(9)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Li(5), one Nb(1), one Fe(3), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(11)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(1)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(1)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li3NbFe2 octahedra, edges with three equivalent O(10)Li3NbFe2 octahedra, and edges with three equivalent O(6)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Nb(2), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(12)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(10)Li3NbFe2 octahedra,  a cornercorner with one O(2)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li3NbFe2 octahedra,  an edgeedge with one O(2)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li3NbFe2 octahedra, edges with three equivalent O(11)Li2NbFe3 octahedra, and edges with three equivalent O(7)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), 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(11)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(1)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(1)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li3NbFe2 octahedra, edges with three equivalent O(12)Li2NbFe3 octahedra, and edges with three equivalent O(8)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(5), one Nb(1), one Fe(2), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(12)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(10)Li3NbFe2 octahedra,  a cornercorner with one O(2)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li3NbFe2 octahedra,  an edgeedge with one O(2)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li3NbFe2 octahedra, edges with three equivalent O(1)Li3NbFe2 octahedra, and edges with three equivalent O(9)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Li(5), one Nb(1), one Fe(3), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(11)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(1)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(1)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li3NbFe2 octahedra, edges with three equivalent O(10)Li3NbFe2 octahedra, and edges with three equivalent O(2)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Nb(2), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(12)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(10)Li3NbFe2 octahedra,  a cornercorner with one O(2)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li3NbFe2 octahedra,  an edgeedge with one O(2)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li3NbFe2 octahedra, edges with three equivalent O(11)Li2NbFe3 octahedra, and edges with three equivalent O(3)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), 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(11)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(1)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(1)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li3NbFe2 octahedra, edges with three equivalent O(12)Li2NbFe3 octahedra, and edges with three equivalent O(4)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(5), one Nb(1), one Fe(2), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(12)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(10)Li3NbFe2 octahedra,  a cornercorner with one O(2)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li3NbFe2 octahedra,  an edgeedge with one O(2)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li3NbFe2 octahedra, edges with three equivalent O(1)Li3NbFe2 octahedra, and edges with three equivalent O(5)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Li(5), one Nb(1), one Fe(3), and one Fe(5) atom to form OLi3NbFe2 octahedra that share  a cornercorner with one O(11)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(1)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(1)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li3NbFe2 octahedra, edges with three equivalent O(2)Li3NbFe2 octahedra, and edges with three equivalent O(6)Li3NbFe2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Nb(2), one Fe(1), one Fe(3), and one Fe(4) atom to form OLi2NbFe3 octahedra that share  a cornercorner with one O(12)Li2NbFe3 octahedra,  a cornercorner with one O(4)Li2NbFe3 octahedra,  a cornercorner with one O(8)Li2NbFe3 octahedra,  a cornercorner with one O(10)Li3NbFe2 octahedra,  a cornercorner with one O(2)Li3NbFe2 octahedra,  a cornercorner with one O(6)Li3NbFe2 octahedra,  an edgeedge with one O(12)Li2NbFe3 octahedra,  an edgeedge with one O(4)Li2NbFe3 octahedra,  an edgeedge with one O(8)Li2NbFe3 octahedra,  an edgeedge with one O(10)Li3NbFe2 octahedra,  an edgeedge with one O(2)Li3NbFe2 octahedra,  an edgeedge with one O(6)Li3NbFe2 octahedra, edges with three equivalent O(3)Li2NbFe3 octahedra, and edges with three equivalent O(7)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), 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(11)Li2NbFe3 octahedra,  a cornercorner with one O(3)Li2NbFe3 octahedra,  a cornercorner with one O(7)Li2NbFe3 octahedra,  a cornercorner with one O(1)Li3NbFe2 octahedra,  a cornercorner with one O(5)Li3NbFe2 octahedra,  a cornercorner with one O(9)Li3NbFe2 octahedra,  an edgeedge with one O(11)Li2NbFe3 octahedra,  an edgeedge with one O(3)Li2NbFe3 octahedra,  an edgeedge with one O(7)Li2NbFe3 octahedra,  an edgeedge with one O(1)Li3NbFe2 octahedra,  an edgeedge with one O(5)Li3NbFe2 octahedra,  an edgeedge with one O(9)Li3NbFe2 octahedra, edges with three equivalent O(4)Li2NbFe3 octahedra, and edges with three equivalent O(8)Li2NbFe3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. is represented by the CIF file [CIF]
data_Li5Nb2Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.210
_cell_length_b   5.312
_cell_length_c   10.252
_cell_angle_alpha   84.062
_cell_angle_beta   77.771
_cell_angle_gamma   60.820
_symmetry_Int_Tables_number   1
_cell_volume   242.083
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.679  0.153  0.503  1.0
  Li  Li1  1  0.827  0.854  0.994  1.0
  Li  Li2  1  0.165  0.153  0.998  1.0
  Li  Li3  1  0.328  0.851  0.507  1.0
  Li  Li4  1  0.919  0.161  0.749  1.0
  Nb  Nb5  1  0.240  0.505  0.750  1.0
  Nb  Nb6  1  0.735  0.520  0.249  1.0
  Fe  Fe7  1  0.080  0.824  0.250  1.0
  Fe  Fe8  1  0.504  0.489  0.994  1.0
  Fe  Fe9  1  0.002  0.498  0.502  1.0
  Fe  Fe10  1  0.430  0.155  0.251  1.0
  Fe  Fe11  1  0.584  0.838  0.752  1.0
  O  O12  1  0.204  0.809  0.868  1.0
  O  O13  1  0.985  0.815  0.631  1.0
  O  O14  1  0.374  0.502  0.377  1.0
  O  O15  1  0.128  0.504  0.126  1.0
  O  O16  1  0.520  0.179  0.863  1.0
  O  O17  1  0.293  0.191  0.634  1.0
  O  O18  1  0.701  0.819  0.381  1.0
  O  O19  1  0.489  0.809  0.124  1.0
  O  O20  1  0.886  0.496  0.871  1.0
  O  O21  1  0.613  0.511  0.636  1.0
  O  O22  1  0.024  0.186  0.362  1.0
  O  O23  1  0.789  0.177  0.130  1.0
[/CIF]
.