Li5Fe11O16 is Caswellsilverite-like 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(1), one O(12), one O(16), one O(3), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the second Li site, Li(2) is bonded to one O(11), one O(13), one O(16), one O(3), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Fe(11)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third Li site, Li(3) is bonded to one O(10), one O(15), one O(2), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Fe(11)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(12), one O(13), one O(16), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Fe(10)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(11)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(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth Li site, Li(5) is bonded to one O(14), one O(15), one O(4), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are eleven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(12), one O(13), one O(3), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Fe(7)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(14), one O(2), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Fe(8)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(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third Fe site, Fe(3) is bonded to one O(12), one O(15), one O(16), one O(3), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(5)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(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, edges with two equivalent Fe(11)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(14), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(5)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(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(14), one O(15), one O(2), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Fe(7)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)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, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(12), one O(13), one O(15), one O(3), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(6)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 Li(5)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, edges with two equivalent Fe(11)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(14), one O(2), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Fe(10)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(11)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(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the ninth Fe site, Fe(9) is bonded to one O(1), one O(11), one O(14), one O(2), one O(4), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(6)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 Li(5)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the tenth Fe site, Fe(10) is bonded to one O(10), one O(12), one O(13), one O(16), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Fe(8)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(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(11)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the eleventh Fe site, Fe(11) is bonded to one O(10), one O(13), one O(15), one O(16), one O(3), and one O(6) atom to form FeO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Fe(1), one Fe(2), one Fe(4), and one Fe(9) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(12)Li2Fe4 octahedra, corners with three equivalent O(14)LiFe5 octahedra,  an edgeedge with one O(13)Li2Fe4 octahedra,  an edgeedge with one O(3)Li2Fe4 octahedra,  an edgeedge with one O(4)Li2Fe4 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(16)Li3Fe3 octahedra,  an edgeedge with one O(2)LiFe5 octahedra, edges with two equivalent O(11)Li2Fe4 octahedra, edges with two equivalent O(7)Li2Fe4 octahedra, and edges with two equivalent O(5)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second O site, O(2) is bonded to one Li(3), one Fe(2), one Fe(5), one Fe(6), one Fe(8), and one Fe(9) atom to form OLiFe5 octahedra that share corners with three equivalent O(11)Li2Fe4 octahedra, corners with three equivalent O(10)LiFe5 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra,  an edgeedge with one O(15)Li2Fe4 octahedra,  an edgeedge with one O(6)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe4 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(9)LiFe5 octahedra, edges with two equivalent O(4)Li2Fe4 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, and edges with two equivalent O(14)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(11), one Fe(3), and one Fe(7) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(15)Li2Fe4 octahedra, corners with three equivalent O(7)Li2Fe4 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra,  an edgeedge with one O(11)Li2Fe4 octahedra,  an edgeedge with one O(6)Li2Fe4 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(10)LiFe5 octahedra,  an edgeedge with one O(9)LiFe5 octahedra, edges with two equivalent O(12)Li2Fe4 octahedra, edges with two equivalent O(13)Li2Fe4 octahedra, and edges with two equivalent O(16)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth O site, O(4) is bonded to one Li(3), one Li(5), one Fe(4), one Fe(5), one Fe(6), and one Fe(9) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(15)Li2Fe4 octahedra, corners with three equivalent O(7)Li2Fe4 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra,  an edgeedge with one O(11)Li2Fe4 octahedra,  an edgeedge with one O(6)Li2Fe4 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(10)LiFe5 octahedra,  an edgeedge with one O(9)LiFe5 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, edges with two equivalent O(14)LiFe5 octahedra, and edges with two equivalent O(2)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Fe(2), one Fe(4), and one Fe(5) atom to form OLi3Fe3 octahedra that share corners with three equivalent O(8)Li2Fe4 octahedra, corners with three equivalent O(16)Li3Fe3 octahedra,  an edgeedge with one O(12)Li2Fe4 octahedra,  an edgeedge with one O(13)Li2Fe4 octahedra,  an edgeedge with one O(3)Li2Fe4 octahedra,  an edgeedge with one O(4)Li2Fe4 octahedra,  an edgeedge with one O(14)LiFe5 octahedra,  an edgeedge with one O(2)LiFe5 octahedra, edges with two equivalent O(1)Li2Fe4 octahedra, edges with two equivalent O(11)Li2Fe4 octahedra, and edges with two equivalent O(7)Li2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the sixth O site, O(6) is bonded to one Li(3), one Li(5), one Fe(10), one Fe(11), one Fe(3), and one Fe(8) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(8)Li2Fe4 octahedra, corners with three equivalent O(16)Li3Fe3 octahedra,  an edgeedge with one O(12)Li2Fe4 octahedra,  an edgeedge with one O(13)Li2Fe4 octahedra,  an edgeedge with one O(3)Li2Fe4 octahedra,  an edgeedge with one O(4)Li2Fe4 octahedra,  an edgeedge with one O(14)LiFe5 octahedra,  an edgeedge with one O(2)LiFe5 octahedra, edges with two equivalent O(15)Li2Fe4 octahedra, edges with two equivalent O(10)LiFe5 octahedra, and edges with two equivalent O(9)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(4), one Fe(5), and one Fe(9) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(3)Li2Fe4 octahedra, corners with three equivalent O(4)Li2Fe4 octahedra,  an edgeedge with one O(12)Li2Fe4 octahedra,  an edgeedge with one O(13)Li2Fe4 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(16)Li3Fe3 octahedra,  an edgeedge with one O(14)LiFe5 octahedra,  an edgeedge with one O(2)LiFe5 octahedra, edges with two equivalent O(1)Li2Fe4 octahedra, edges with two equivalent O(11)Li2Fe4 octahedra, and edges with two equivalent O(5)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the eighth O site, O(8) is bonded to one Li(3), one Li(5), one Fe(2), one Fe(4), one Fe(5), and one Fe(8) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(6)Li2Fe4 octahedra, corners with three equivalent O(5)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra,  an edgeedge with one O(11)Li2Fe4 octahedra,  an edgeedge with one O(15)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe4 octahedra,  an edgeedge with one O(10)LiFe5 octahedra,  an edgeedge with one O(9)LiFe5 octahedra, edges with two equivalent O(4)Li2Fe4 octahedra, edges with two equivalent O(14)LiFe5 octahedra, and edges with two equivalent O(2)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the ninth O site, O(9) is bonded to one Li(5), one Fe(10), one Fe(3), one Fe(6), one Fe(7), and one Fe(8) atom to form OLiFe5 octahedra that share corners with three equivalent O(12)Li2Fe4 octahedra, corners with three equivalent O(14)LiFe5 octahedra,  an edgeedge with one O(13)Li2Fe4 octahedra,  an edgeedge with one O(3)Li2Fe4 octahedra,  an edgeedge with one O(4)Li2Fe4 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(16)Li3Fe3 octahedra,  an edgeedge with one O(2)LiFe5 octahedra, edges with two equivalent O(15)Li2Fe4 octahedra, edges with two equivalent O(6)Li2Fe4 octahedra, and edges with two equivalent O(10)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the tenth O site, O(10) is bonded to one Li(3), one Fe(10), one Fe(11), one Fe(6), one Fe(7), and one Fe(8) atom to form OLiFe5 octahedra that share corners with three equivalent O(13)Li2Fe4 octahedra, corners with three equivalent O(2)LiFe5 octahedra,  an edgeedge with one O(12)Li2Fe4 octahedra,  an edgeedge with one O(3)Li2Fe4 octahedra,  an edgeedge with one O(4)Li2Fe4 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(16)Li3Fe3 octahedra,  an edgeedge with one O(14)LiFe5 octahedra, edges with two equivalent O(15)Li2Fe4 octahedra, edges with two equivalent O(6)Li2Fe4 octahedra, and edges with two equivalent O(9)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Fe(1), one Fe(2), one Fe(5), and one Fe(9) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(13)Li2Fe4 octahedra, corners with three equivalent O(2)LiFe5 octahedra,  an edgeedge with one O(12)Li2Fe4 octahedra,  an edgeedge with one O(3)Li2Fe4 octahedra,  an edgeedge with one O(4)Li2Fe4 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(16)Li3Fe3 octahedra,  an edgeedge with one O(14)LiFe5 octahedra, edges with two equivalent O(1)Li2Fe4 octahedra, edges with two equivalent O(7)Li2Fe4 octahedra, and edges with two equivalent O(5)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(4), one Fe(1), one Fe(10), one Fe(3), and one Fe(7) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(1)Li2Fe4 octahedra, corners with three equivalent O(9)LiFe5 octahedra,  an edgeedge with one O(11)Li2Fe4 octahedra,  an edgeedge with one O(15)Li2Fe4 octahedra,  an edgeedge with one O(6)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe4 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(10)LiFe5 octahedra, edges with two equivalent O(13)Li2Fe4 octahedra, edges with two equivalent O(3)Li2Fe4 octahedra, and edges with two equivalent O(16)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(4), one Fe(1), one Fe(10), one Fe(11), and one Fe(7) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(11)Li2Fe4 octahedra, corners with three equivalent O(10)LiFe5 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra,  an edgeedge with one O(15)Li2Fe4 octahedra,  an edgeedge with one O(6)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe4 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(9)LiFe5 octahedra, edges with two equivalent O(12)Li2Fe4 octahedra, edges with two equivalent O(3)Li2Fe4 octahedra, and edges with two equivalent O(16)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourteenth O site, O(14) is bonded to one Li(5), one Fe(2), one Fe(4), one Fe(6), one Fe(8), and one Fe(9) atom to form OLiFe5 octahedra that share corners with three equivalent O(1)Li2Fe4 octahedra, corners with three equivalent O(9)LiFe5 octahedra,  an edgeedge with one O(11)Li2Fe4 octahedra,  an edgeedge with one O(15)Li2Fe4 octahedra,  an edgeedge with one O(6)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe4 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(10)LiFe5 octahedra, edges with two equivalent O(4)Li2Fe4 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, and edges with two equivalent O(2)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(5), one Fe(11), one Fe(3), one Fe(6), and one Fe(7) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(3)Li2Fe4 octahedra, corners with three equivalent O(4)Li2Fe4 octahedra,  an edgeedge with one O(12)Li2Fe4 octahedra,  an edgeedge with one O(13)Li2Fe4 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(16)Li3Fe3 octahedra,  an edgeedge with one O(14)LiFe5 octahedra,  an edgeedge with one O(2)LiFe5 octahedra, edges with two equivalent O(6)Li2Fe4 octahedra, edges with two equivalent O(10)LiFe5 octahedra, and edges with two equivalent O(9)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(2), one Li(4), one Fe(10), one Fe(11), and one Fe(3) atom to form OLi3Fe3 octahedra that share corners with three equivalent O(6)Li2Fe4 octahedra, corners with three equivalent O(5)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra,  an edgeedge with one O(11)Li2Fe4 octahedra,  an edgeedge with one O(15)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe4 octahedra,  an edgeedge with one O(10)LiFe5 octahedra,  an edgeedge with one O(9)LiFe5 octahedra, edges with two equivalent O(12)Li2Fe4 octahedra, edges with two equivalent O(13)Li2Fe4 octahedra, and edges with two equivalent O(3)Li2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°.
Li5Fe11O16 is Caswellsilverite-like 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(1), one O(12), one O(16), one O(3), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. The Li(1)-O(1) bond length is 2.10 Å. The Li(1)-O(12) bond length is 2.16 Å. The Li(1)-O(16) bond length is 2.23 Å. The Li(1)-O(3) bond length is 2.25 Å. The Li(1)-O(5) bond length is 2.20 Å. The Li(1)-O(7) bond length is 2.13 Å. In the second Li site, Li(2) is bonded to one O(11), one O(13), one O(16), one O(3), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Fe(11)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. The Li(2)-O(11) bond length is 2.10 Å. The Li(2)-O(13) bond length is 2.07 Å. The Li(2)-O(16) bond length is 2.20 Å. The Li(2)-O(3) bond length is 2.12 Å. The Li(2)-O(5) bond length is 2.22 Å. The Li(2)-O(7) bond length is 2.13 Å. In the third Li site, Li(3) is bonded to one O(10), one O(15), one O(2), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Fe(11)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Li(3)-O(10) bond length is 2.06 Å. The Li(3)-O(15) bond length is 2.13 Å. The Li(3)-O(2) bond length is 2.08 Å. The Li(3)-O(4) bond length is 2.16 Å. The Li(3)-O(6) bond length is 2.21 Å. The Li(3)-O(8) bond length is 2.22 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(12), one O(13), one O(16), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Fe(10)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(11)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(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. The Li(4)-O(1) bond length is 2.25 Å. The Li(4)-O(11) bond length is 2.28 Å. The Li(4)-O(12) bond length is 2.10 Å. The Li(4)-O(13) bond length is 2.11 Å. The Li(4)-O(16) bond length is 2.18 Å. The Li(4)-O(5) bond length is 2.26 Å. In the fifth Li site, Li(5) is bonded to one O(14), one O(15), one O(4), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. The Li(5)-O(14) bond length is 2.08 Å. The Li(5)-O(15) bond length is 2.28 Å. The Li(5)-O(4) bond length is 2.16 Å. The Li(5)-O(6) bond length is 2.22 Å. The Li(5)-O(8) bond length is 2.21 Å. The Li(5)-O(9) bond length is 2.13 Å. There are eleven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(12), one O(13), one O(3), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Fe(7)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. The Fe(1)-O(1) bond length is 2.18 Å. The Fe(1)-O(11) bond length is 2.24 Å. The Fe(1)-O(12) bond length is 2.05 Å. The Fe(1)-O(13) bond length is 2.02 Å. The Fe(1)-O(3) bond length is 2.05 Å. The Fe(1)-O(7) bond length is 2.09 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(14), one O(2), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Fe(8)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(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. The Fe(2)-O(1) bond length is 2.06 Å. The Fe(2)-O(11) bond length is 2.05 Å. The Fe(2)-O(14) bond length is 2.15 Å. The Fe(2)-O(2) bond length is 2.14 Å. The Fe(2)-O(5) bond length is 1.97 Å. The Fe(2)-O(8) bond length is 2.14 Å. In the third Fe site, Fe(3) is bonded to one O(12), one O(15), one O(16), one O(3), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(5)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(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, edges with two equivalent Fe(11)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. The Fe(3)-O(12) bond length is 2.04 Å. The Fe(3)-O(15) bond length is 2.04 Å. The Fe(3)-O(16) bond length is 2.00 Å. The Fe(3)-O(3) bond length is 2.07 Å. The Fe(3)-O(6) bond length is 2.14 Å. The Fe(3)-O(9) bond length is 2.10 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(14), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(5)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(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. The Fe(4)-O(1) bond length is 2.12 Å. The Fe(4)-O(14) bond length is 2.18 Å. The Fe(4)-O(4) bond length is 2.17 Å. The Fe(4)-O(5) bond length is 2.06 Å. The Fe(4)-O(7) bond length is 2.16 Å. The Fe(4)-O(8) bond length is 2.14 Å. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. The Fe(5)-O(11) bond length is 2.11 Å. The Fe(5)-O(2) bond length is 2.17 Å. The Fe(5)-O(4) bond length is 2.16 Å. The Fe(5)-O(5) bond length is 2.07 Å. The Fe(5)-O(7) bond length is 2.15 Å. The Fe(5)-O(8) bond length is 2.13 Å. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(14), one O(15), one O(2), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Fe(7)O6 octahedra, corners with three equivalent Fe(9)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)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, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Fe(6)-O(10) bond length is 2.20 Å. The Fe(6)-O(14) bond length is 2.23 Å. The Fe(6)-O(15) bond length is 2.09 Å. The Fe(6)-O(2) bond length is 2.26 Å. The Fe(6)-O(4) bond length is 2.12 Å. The Fe(6)-O(9) bond length is 2.18 Å. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(12), one O(13), one O(15), one O(3), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(6)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 Li(5)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, edges with two equivalent Fe(11)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. The Fe(7)-O(10) bond length is 2.19 Å. The Fe(7)-O(12) bond length is 2.20 Å. The Fe(7)-O(13) bond length is 2.14 Å. The Fe(7)-O(15) bond length is 2.18 Å. The Fe(7)-O(3) bond length is 2.21 Å. The Fe(7)-O(9) bond length is 2.22 Å. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(14), one O(2), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Fe(10)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(11)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(7)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. The Fe(8)-O(10) bond length is 2.00 Å. The Fe(8)-O(14) bond length is 2.17 Å. The Fe(8)-O(2) bond length is 2.21 Å. The Fe(8)-O(6) bond length is 2.06 Å. The Fe(8)-O(8) bond length is 2.10 Å. The Fe(8)-O(9) bond length is 2.02 Å. In the ninth Fe site, Fe(9) is bonded to one O(1), one O(11), one O(14), one O(2), one O(4), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(6)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 Li(5)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. The Fe(9)-O(1) bond length is 2.11 Å. The Fe(9)-O(11) bond length is 2.08 Å. The Fe(9)-O(14) bond length is 2.10 Å. The Fe(9)-O(2) bond length is 2.08 Å. The Fe(9)-O(4) bond length is 2.04 Å. The Fe(9)-O(7) bond length is 2.13 Å. In the tenth Fe site, Fe(10) is bonded to one O(10), one O(12), one O(13), one O(16), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Fe(8)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(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(11)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. The Fe(10)-O(10) bond length is 2.28 Å. The Fe(10)-O(12) bond length is 2.17 Å. The Fe(10)-O(13) bond length is 2.19 Å. The Fe(10)-O(16) bond length is 2.05 Å. The Fe(10)-O(6) bond length is 2.15 Å. The Fe(10)-O(9) bond length is 2.26 Å. In the eleventh Fe site, Fe(11) is bonded to one O(10), one O(13), one O(15), one O(16), one O(3), and one O(6) atom to form FeO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. The Fe(11)-O(10) bond length is 2.19 Å. The Fe(11)-O(13) bond length is 2.13 Å. The Fe(11)-O(15) bond length is 2.19 Å. The Fe(11)-O(16) bond length is 2.06 Å. The Fe(11)-O(3) bond length is 2.17 Å. The Fe(11)-O(6) bond length is 2.14 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Fe(1), one Fe(2), one Fe(4), and one Fe(9) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(12)Li2Fe4 octahedra, corners with three equivalent O(14)LiFe5 octahedra,  an edgeedge with one O(13)Li2Fe4 octahedra,  an edgeedge with one O(3)Li2Fe4 octahedra,  an edgeedge with one O(4)Li2Fe4 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(16)Li3Fe3 octahedra,  an edgeedge with one O(2)LiFe5 octahedra, edges with two equivalent O(11)Li2Fe4 octahedra, edges with two equivalent O(7)Li2Fe4 octahedra, and edges with two equivalent O(5)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second O site, O(2) is bonded to one Li(3), one Fe(2), one Fe(5), one Fe(6), one Fe(8), and one Fe(9) atom to form OLiFe5 octahedra that share corners with three equivalent O(11)Li2Fe4 octahedra, corners with three equivalent O(10)LiFe5 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra,  an edgeedge with one O(15)Li2Fe4 octahedra,  an edgeedge with one O(6)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe4 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(9)LiFe5 octahedra, edges with two equivalent O(4)Li2Fe4 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, and edges with two equivalent O(14)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(11), one Fe(3), and one Fe(7) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(15)Li2Fe4 octahedra, corners with three equivalent O(7)Li2Fe4 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra,  an edgeedge with one O(11)Li2Fe4 octahedra,  an edgeedge with one O(6)Li2Fe4 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(10)LiFe5 octahedra,  an edgeedge with one O(9)LiFe5 octahedra, edges with two equivalent O(12)Li2Fe4 octahedra, edges with two equivalent O(13)Li2Fe4 octahedra, and edges with two equivalent O(16)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth O site, O(4) is bonded to one Li(3), one Li(5), one Fe(4), one Fe(5), one Fe(6), and one Fe(9) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(15)Li2Fe4 octahedra, corners with three equivalent O(7)Li2Fe4 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra,  an edgeedge with one O(11)Li2Fe4 octahedra,  an edgeedge with one O(6)Li2Fe4 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(10)LiFe5 octahedra,  an edgeedge with one O(9)LiFe5 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, edges with two equivalent O(14)LiFe5 octahedra, and edges with two equivalent O(2)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Fe(2), one Fe(4), and one Fe(5) atom to form OLi3Fe3 octahedra that share corners with three equivalent O(8)Li2Fe4 octahedra, corners with three equivalent O(16)Li3Fe3 octahedra,  an edgeedge with one O(12)Li2Fe4 octahedra,  an edgeedge with one O(13)Li2Fe4 octahedra,  an edgeedge with one O(3)Li2Fe4 octahedra,  an edgeedge with one O(4)Li2Fe4 octahedra,  an edgeedge with one O(14)LiFe5 octahedra,  an edgeedge with one O(2)LiFe5 octahedra, edges with two equivalent O(1)Li2Fe4 octahedra, edges with two equivalent O(11)Li2Fe4 octahedra, and edges with two equivalent O(7)Li2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the sixth O site, O(6) is bonded to one Li(3), one Li(5), one Fe(10), one Fe(11), one Fe(3), and one Fe(8) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(8)Li2Fe4 octahedra, corners with three equivalent O(16)Li3Fe3 octahedra,  an edgeedge with one O(12)Li2Fe4 octahedra,  an edgeedge with one O(13)Li2Fe4 octahedra,  an edgeedge with one O(3)Li2Fe4 octahedra,  an edgeedge with one O(4)Li2Fe4 octahedra,  an edgeedge with one O(14)LiFe5 octahedra,  an edgeedge with one O(2)LiFe5 octahedra, edges with two equivalent O(15)Li2Fe4 octahedra, edges with two equivalent O(10)LiFe5 octahedra, and edges with two equivalent O(9)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(4), one Fe(5), and one Fe(9) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(3)Li2Fe4 octahedra, corners with three equivalent O(4)Li2Fe4 octahedra,  an edgeedge with one O(12)Li2Fe4 octahedra,  an edgeedge with one O(13)Li2Fe4 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(16)Li3Fe3 octahedra,  an edgeedge with one O(14)LiFe5 octahedra,  an edgeedge with one O(2)LiFe5 octahedra, edges with two equivalent O(1)Li2Fe4 octahedra, edges with two equivalent O(11)Li2Fe4 octahedra, and edges with two equivalent O(5)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the eighth O site, O(8) is bonded to one Li(3), one Li(5), one Fe(2), one Fe(4), one Fe(5), and one Fe(8) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(6)Li2Fe4 octahedra, corners with three equivalent O(5)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra,  an edgeedge with one O(11)Li2Fe4 octahedra,  an edgeedge with one O(15)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe4 octahedra,  an edgeedge with one O(10)LiFe5 octahedra,  an edgeedge with one O(9)LiFe5 octahedra, edges with two equivalent O(4)Li2Fe4 octahedra, edges with two equivalent O(14)LiFe5 octahedra, and edges with two equivalent O(2)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the ninth O site, O(9) is bonded to one Li(5), one Fe(10), one Fe(3), one Fe(6), one Fe(7), and one Fe(8) atom to form OLiFe5 octahedra that share corners with three equivalent O(12)Li2Fe4 octahedra, corners with three equivalent O(14)LiFe5 octahedra,  an edgeedge with one O(13)Li2Fe4 octahedra,  an edgeedge with one O(3)Li2Fe4 octahedra,  an edgeedge with one O(4)Li2Fe4 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(16)Li3Fe3 octahedra,  an edgeedge with one O(2)LiFe5 octahedra, edges with two equivalent O(15)Li2Fe4 octahedra, edges with two equivalent O(6)Li2Fe4 octahedra, and edges with two equivalent O(10)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the tenth O site, O(10) is bonded to one Li(3), one Fe(10), one Fe(11), one Fe(6), one Fe(7), and one Fe(8) atom to form OLiFe5 octahedra that share corners with three equivalent O(13)Li2Fe4 octahedra, corners with three equivalent O(2)LiFe5 octahedra,  an edgeedge with one O(12)Li2Fe4 octahedra,  an edgeedge with one O(3)Li2Fe4 octahedra,  an edgeedge with one O(4)Li2Fe4 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(16)Li3Fe3 octahedra,  an edgeedge with one O(14)LiFe5 octahedra, edges with two equivalent O(15)Li2Fe4 octahedra, edges with two equivalent O(6)Li2Fe4 octahedra, and edges with two equivalent O(9)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Fe(1), one Fe(2), one Fe(5), and one Fe(9) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(13)Li2Fe4 octahedra, corners with three equivalent O(2)LiFe5 octahedra,  an edgeedge with one O(12)Li2Fe4 octahedra,  an edgeedge with one O(3)Li2Fe4 octahedra,  an edgeedge with one O(4)Li2Fe4 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(16)Li3Fe3 octahedra,  an edgeedge with one O(14)LiFe5 octahedra, edges with two equivalent O(1)Li2Fe4 octahedra, edges with two equivalent O(7)Li2Fe4 octahedra, and edges with two equivalent O(5)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(4), one Fe(1), one Fe(10), one Fe(3), and one Fe(7) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(1)Li2Fe4 octahedra, corners with three equivalent O(9)LiFe5 octahedra,  an edgeedge with one O(11)Li2Fe4 octahedra,  an edgeedge with one O(15)Li2Fe4 octahedra,  an edgeedge with one O(6)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe4 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(10)LiFe5 octahedra, edges with two equivalent O(13)Li2Fe4 octahedra, edges with two equivalent O(3)Li2Fe4 octahedra, and edges with two equivalent O(16)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(4), one Fe(1), one Fe(10), one Fe(11), and one Fe(7) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(11)Li2Fe4 octahedra, corners with three equivalent O(10)LiFe5 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra,  an edgeedge with one O(15)Li2Fe4 octahedra,  an edgeedge with one O(6)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe4 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(9)LiFe5 octahedra, edges with two equivalent O(12)Li2Fe4 octahedra, edges with two equivalent O(3)Li2Fe4 octahedra, and edges with two equivalent O(16)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourteenth O site, O(14) is bonded to one Li(5), one Fe(2), one Fe(4), one Fe(6), one Fe(8), and one Fe(9) atom to form OLiFe5 octahedra that share corners with three equivalent O(1)Li2Fe4 octahedra, corners with three equivalent O(9)LiFe5 octahedra,  an edgeedge with one O(11)Li2Fe4 octahedra,  an edgeedge with one O(15)Li2Fe4 octahedra,  an edgeedge with one O(6)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe4 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(10)LiFe5 octahedra, edges with two equivalent O(4)Li2Fe4 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, and edges with two equivalent O(2)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(5), one Fe(11), one Fe(3), one Fe(6), and one Fe(7) atom to form OLi2Fe4 octahedra that share corners with three equivalent O(3)Li2Fe4 octahedra, corners with three equivalent O(4)Li2Fe4 octahedra,  an edgeedge with one O(12)Li2Fe4 octahedra,  an edgeedge with one O(13)Li2Fe4 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(16)Li3Fe3 octahedra,  an edgeedge with one O(14)LiFe5 octahedra,  an edgeedge with one O(2)LiFe5 octahedra, edges with two equivalent O(6)Li2Fe4 octahedra, edges with two equivalent O(10)LiFe5 octahedra, and edges with two equivalent O(9)LiFe5 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(2), one Li(4), one Fe(10), one Fe(11), and one Fe(3) atom to form OLi3Fe3 octahedra that share corners with three equivalent O(6)Li2Fe4 octahedra, corners with three equivalent O(5)Li3Fe3 octahedra,  an edgeedge with one O(1)Li2Fe4 octahedra,  an edgeedge with one O(11)Li2Fe4 octahedra,  an edgeedge with one O(15)Li2Fe4 octahedra,  an edgeedge with one O(7)Li2Fe4 octahedra,  an edgeedge with one O(10)LiFe5 octahedra,  an edgeedge with one O(9)LiFe5 octahedra, edges with two equivalent O(12)Li2Fe4 octahedra, edges with two equivalent O(13)Li2Fe4 octahedra, and edges with two equivalent O(3)Li2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°.