Li10FeNi9O20 is beta Polonium-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(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 Li(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(2)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 Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth Li site, Li(4) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(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 Li(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the sixth Li site, Li(6) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. Fe(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(1)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 Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the third Ni site, Ni(3) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(10) atoms to form NiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(1)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 Li(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)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 Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(5), one Ni(2), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(7)Li3FeNi2 octahedra,  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one O(4)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(5)Li3FeNi2 octahedra,  an edgeedge with one O(5)Li3FeNi2 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(2)Li3FeNi2 octahedra, edges with two equivalent O(10)Li3Ni3 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(5), one Fe(1), one Ni(1), and one Ni(4) atom to form OLi3FeNi2 octahedra that share  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(2)Li3FeNi2 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(5)Li3FeNi2 octahedra, edges with two equivalent O(7)Li3FeNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(6), one Ni(1), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3FeNi2 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3FeNi2 octahedra,  an edgeedge with one O(5)Li3FeNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(7)Li3FeNi2 octahedra, edges with two equivalent O(10)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(6), one Ni(2), one Ni(3), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3FeNi2 octahedra,  a cornercorner with one O(7)Li3FeNi2 octahedra,  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3FeNi2 octahedra,  an edgeedge with one O(7)Li3FeNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(10)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(4), one Fe(1), one Ni(2), and one Ni(4) atom to form OLi3FeNi2 octahedra that share  a cornercorner with one O(5)Li3FeNi2 octahedra,  a cornercorner with one O(7)Li3FeNi2 octahedra,  a cornercorner with one O(4)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(1)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(2)Li3FeNi2 octahedra, edges with two equivalent O(7)Li3FeNi2 octahedra, edges with two equivalent O(10)Li3Ni3 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(3), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3FeNi2 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3FeNi2 octahedra,  an edgeedge with one O(5)Li3FeNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(7)Li3FeNi2 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh O site, O(7) is bonded to one Li(1), two equivalent Li(4), one Fe(1), one Ni(1), and one Ni(2) atom to form OLi3FeNi2 octahedra that share  a cornercorner with one O(5)Li3FeNi2 octahedra,  a cornercorner with one O(7)Li3FeNi2 octahedra,  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one O(4)Li3Ni3 octahedra, corners with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3FeNi2 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(2)Li3FeNi2 octahedra, edges with two equivalent O(5)Li3FeNi2 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, and edges with two equivalent O(6)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the eighth O site, O(8) is bonded to one Li(2), two equivalent Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3FeNi2 octahedra,  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(10)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3FeNi2 octahedra,  an edgeedge with one O(7)Li3FeNi2 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(5)Li3FeNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, and edges with two equivalent O(6)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(5), one Ni(1), and two equivalent Ni(5) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3FeNi2 octahedra,  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one O(4)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(7)Li3FeNi2 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(2)Li3FeNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, and edges with two equivalent O(6)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Li(6), one Ni(2), and two equivalent Ni(4) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3FeNi2 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3FeNi2 octahedra,  an edgeedge with one O(7)Li3FeNi2 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(5)Li3FeNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, and edges with two equivalent O(4)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.
Li10FeNi9O20 is beta Polonium-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(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 Li(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The Li(1)-O(10) bond length is 2.20 Å. The Li(1)-O(2) bond length is 2.09 Å. The Li(1)-O(3) bond length is 2.11 Å. The Li(1)-O(6) bond length is 2.11 Å. The Li(1)-O(7) bond length is 2.11 Å. The Li(1)-O(9) bond length is 2.10 Å. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(2)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 Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. The Li(2)-O(1) bond length is 2.20 Å. The Li(2)-O(10) bond length is 2.13 Å. The Li(2)-O(4) bond length is 2.10 Å. The Li(2)-O(5) bond length is 2.03 Å. The Li(2)-O(8) bond length is 2.10 Å. The Li(2)-O(9) bond length is 2.24 Å. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. The Li(3)-O(1) bond length is 2.08 Å. The Li(3)-O(2) bond length is 2.24 Å. The Li(3)-O(5) bond length is 2.11 Å. The Li(3)-O(6) bond length is 2.06 Å. There is one shorter (2.08 Å) and one longer (2.20 Å) Li(3)-O(8) bond length. In the fourth Li site, Li(4) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(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 Li(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. The Li(4)-O(3) bond length is 2.28 Å. The Li(4)-O(4) bond length is 2.22 Å. The Li(4)-O(5) bond length is 2.13 Å. The Li(4)-O(6) bond length is 2.24 Å. There is one shorter (2.03 Å) and one longer (2.06 Å) Li(4)-O(7) bond length. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. Both Li(5)-O(1) bond lengths are 2.07 Å. Both Li(5)-O(2) bond lengths are 2.10 Å. Both Li(5)-O(9) bond lengths are 2.19 Å. In the sixth Li site, Li(6) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. Both Li(6)-O(10) bond lengths are 2.12 Å. Both Li(6)-O(3) bond lengths are 2.07 Å. Both Li(6)-O(4) bond lengths are 2.14 Å. Fe(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. Both Fe(1)-O(2) bond lengths are 2.06 Å. Both Fe(1)-O(5) bond lengths are 2.01 Å. Both Fe(1)-O(7) bond lengths are 2.02 Å. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(1)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 Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. The Ni(1)-O(2) bond length is 2.03 Å. The Ni(1)-O(3) bond length is 2.04 Å. The Ni(1)-O(6) bond length is 2.02 Å. The Ni(1)-O(7) bond length is 2.05 Å. The Ni(1)-O(8) bond length is 2.02 Å. The Ni(1)-O(9) bond length is 2.07 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. The Ni(2)-O(1) bond length is 2.04 Å. The Ni(2)-O(10) bond length is 2.05 Å. The Ni(2)-O(4) bond length is 1.99 Å. The Ni(2)-O(5) bond length is 1.99 Å. The Ni(2)-O(7) bond length is 2.03 Å. The Ni(2)-O(8) bond length is 2.05 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. Both Ni(3)-O(4) bond lengths are 2.03 Å. Both Ni(3)-O(6) bond lengths are 2.01 Å. Both Ni(3)-O(8) bond lengths are 1.90 Å. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(10) atoms to form NiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(1)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 Li(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The Ni(4)-O(1) bond length is 2.05 Å. The Ni(4)-O(2) bond length is 1.91 Å. The Ni(4)-O(3) bond length is 1.98 Å. The Ni(4)-O(5) bond length is 2.08 Å. There is one shorter (1.89 Å) and one longer (1.98 Å) Ni(4)-O(10) bond length. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)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 Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Ni(5)-O(1) bond length is 1.89 Å. The Ni(5)-O(3) bond length is 1.90 Å. The Ni(5)-O(4) bond length is 1.91 Å. The Ni(5)-O(6) bond length is 1.90 Å. There is one shorter (1.91 Å) and one longer (1.93 Å) Ni(5)-O(9) bond length. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(5), one Ni(2), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(7)Li3FeNi2 octahedra,  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one O(4)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(5)Li3FeNi2 octahedra,  an edgeedge with one O(5)Li3FeNi2 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(2)Li3FeNi2 octahedra, edges with two equivalent O(10)Li3Ni3 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(5), one Fe(1), one Ni(1), and one Ni(4) atom to form OLi3FeNi2 octahedra that share  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(2)Li3FeNi2 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(5)Li3FeNi2 octahedra, edges with two equivalent O(7)Li3FeNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(6), one Ni(1), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3FeNi2 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3FeNi2 octahedra,  an edgeedge with one O(5)Li3FeNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(7)Li3FeNi2 octahedra, edges with two equivalent O(10)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(6), one Ni(2), one Ni(3), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3FeNi2 octahedra,  a cornercorner with one O(7)Li3FeNi2 octahedra,  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3FeNi2 octahedra,  an edgeedge with one O(7)Li3FeNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(10)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(4), one Fe(1), one Ni(2), and one Ni(4) atom to form OLi3FeNi2 octahedra that share  a cornercorner with one O(5)Li3FeNi2 octahedra,  a cornercorner with one O(7)Li3FeNi2 octahedra,  a cornercorner with one O(4)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(1)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(2)Li3FeNi2 octahedra, edges with two equivalent O(7)Li3FeNi2 octahedra, edges with two equivalent O(10)Li3Ni3 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(3), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3FeNi2 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3FeNi2 octahedra,  an edgeedge with one O(5)Li3FeNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(7)Li3FeNi2 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh O site, O(7) is bonded to one Li(1), two equivalent Li(4), one Fe(1), one Ni(1), and one Ni(2) atom to form OLi3FeNi2 octahedra that share  a cornercorner with one O(5)Li3FeNi2 octahedra,  a cornercorner with one O(7)Li3FeNi2 octahedra,  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one O(4)Li3Ni3 octahedra, corners with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3FeNi2 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(2)Li3FeNi2 octahedra, edges with two equivalent O(5)Li3FeNi2 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, and edges with two equivalent O(6)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the eighth O site, O(8) is bonded to one Li(2), two equivalent Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3FeNi2 octahedra,  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(10)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3FeNi2 octahedra,  an edgeedge with one O(7)Li3FeNi2 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(5)Li3FeNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, and edges with two equivalent O(6)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(5), one Ni(1), and two equivalent Ni(5) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3FeNi2 octahedra,  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one O(4)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(7)Li3FeNi2 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(2)Li3FeNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, and edges with two equivalent O(6)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Li(6), one Ni(2), and two equivalent Ni(4) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3FeNi2 octahedra,  a cornercorner with one O(10)Li3Ni3 octahedra,  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3FeNi2 octahedra,  an edgeedge with one O(7)Li3FeNi2 octahedra,  an edgeedge with one O(10)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(5)Li3FeNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, and edges with two equivalent O(4)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.