The material structure described by Li11Nb4(Ni3O8)3 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(18), one O(2), one O(21), one O(23), one O(3), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Nb(4)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(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(11)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Li site, Li(2) is bonded to one O(10), one O(3), 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(11)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)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 Ni(3)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(17), one O(3), one O(4), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fifth Li site, Li(5) is bonded to one O(12), one O(15), one O(17), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(9)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,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(14), one O(16), one O(19), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the seventh Li site, Li(7) is bonded to one O(1), one O(13), one O(18), one O(19), one O(20), and one O(24) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the eighth Li site, Li(8) is bonded to one O(13), one O(14), one O(18), one O(19), one O(23), and one O(24) atom to form LiO6 octahedra that share  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the ninth Li site, Li(9) is bonded to one O(15), one O(16), one O(17), one O(20), one O(21), and one O(22) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the tenth Li site, Li(10) is bonded to one O(1), one O(13), one O(20), one O(22), one O(24), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the eleventh Li site, Li(11) is bonded to one O(2), one O(21), one O(22), one O(23), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(18), one O(23), one O(24), one O(3), one O(4), and one O(5) atom to form NbO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)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 1-5°. In the second Nb site, Nb(2) is bonded to one O(10), one O(13), one O(14), one O(19), one O(8), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third Nb site, Nb(3) is bonded to one O(11), one O(12), one O(15), one O(16), one O(17), and one O(6) atom to form NbO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fourth Nb site, Nb(4) is bonded to one O(1), one O(2), one O(20), one O(21), one O(22), and one O(7) atom to form NbO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(12), one O(18), one O(24), one O(3), and one O(4) atom to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)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 Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)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 Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the third Ni site, Ni(3) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  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 Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fourth Ni site, Ni(4) is bonded to one O(11), one O(14), one O(15), one O(16), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(12), one O(24), one O(4), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the sixth Ni site, Ni(6) is bonded to one O(10), one O(13), one O(17), one O(19), one O(20), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the seventh Ni site, Ni(7) is bonded to one O(14), one O(16), one O(18), one O(19), one O(21), and one O(23) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the eighth Ni site, Ni(8) is bonded to one O(14), one O(15), one O(16), one O(21), one O(22), and one O(23) atom to form NiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  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 Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the ninth Ni site, Ni(9) is bonded to one O(13), one O(15), one O(17), one O(20), one O(22), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(10), one Li(3), one Li(7), one Nb(4), one Ni(1), and one Ni(5) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(11)Li2NbNi3 octahedra,  a cornercorner with one O(12)Li3NbNi2 octahedra,  a cornercorner with one O(19)Li3NbNi2 octahedra,  a cornercorner with one O(20)Li3NbNi2 octahedra,  a cornercorner with one O(21)Li3NbNi2 octahedra,  a cornercorner with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra, edges with two equivalent O(24)Li3NbNi2 octahedra, and edges with two equivalent O(7)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second O site, O(2) is bonded to one Li(1), one Li(11), one Li(3), one Nb(4), one Ni(2), and one Ni(3) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(11)Li2NbNi3 octahedra,  a cornercorner with one O(10)Li3NbNi2 octahedra,  a cornercorner with one O(12)Li3NbNi2 octahedra,  a cornercorner with one O(18)Li3NbNi2 octahedra,  a cornercorner with one O(20)Li3NbNi2 octahedra,  a cornercorner with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra, edges with two equivalent O(5)Li3NbNi2 octahedra, and edges with two equivalent O(7)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one Nb(1), one Ni(1), and one Ni(2) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(11)Li2NbNi3 octahedra,  a cornercorner with one O(1)Li3NbNi2 octahedra,  a cornercorner with one O(10)Li3NbNi2 octahedra,  a cornercorner with one O(17)Li3NbNi2 octahedra,  a cornercorner with one O(18)Li3NbNi2 octahedra,  a cornercorner with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(4)Li3NbNi2 octahedra, and edges with two equivalent O(5)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(5), one Nb(1), one Ni(1), and one Ni(5) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(15)Li2NbNi3 octahedra,  a cornercorner with one O(8)Li2NbNi3 octahedra,  a cornercorner with one O(23)Li3NbNi2 octahedra,  a cornercorner with one O(24)Li3NbNi2 octahedra,  a cornercorner with one O(7)Li3NbNi2 octahedra,  a cornercorner with one O(9)Li3NbNi2 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(12)Li3NbNi2 octahedra, and edges with two equivalent O(3)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fifth O site, O(5) is bonded to one Li(1), one Li(11), one Li(2), one Nb(1), one Ni(2), and one Ni(3) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(6)Li2NbNi3 octahedra,  a cornercorner with one O(8)Li2NbNi3 octahedra,  a cornercorner with one O(22)Li3NbNi2 octahedra,  a cornercorner with one O(23)Li3NbNi2 octahedra,  a cornercorner with one O(24)Li3NbNi2 octahedra,  a cornercorner with one O(9)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra, edges with two equivalent O(2)Li3NbNi2 octahedra, and edges with two equivalent O(3)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth O site, O(6) is bonded to one Li(3), one Li(5), one Nb(3), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi2NbNi3 octahedra that share  a cornercorner with one O(14)Li2NbNi3 octahedra,  a cornercorner with one O(15)Li2NbNi3 octahedra,  a cornercorner with one O(24)Li3NbNi2 octahedra,  a cornercorner with one O(5)Li3NbNi2 octahedra,  a cornercorner with one O(7)Li3NbNi2 octahedra,  a cornercorner with one O(9)Li3NbNi2 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra, edges with two equivalent O(11)Li2NbNi3 octahedra, and edges with two equivalent O(12)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the seventh O site, O(7) is bonded to one Li(10), one Li(11), one Li(3), one Nb(4), one Ni(3), and one Ni(5) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(6)Li2NbNi3 octahedra,  a cornercorner with one O(8)Li2NbNi3 octahedra,  a cornercorner with one O(13)Li3NbNi2 octahedra,  a cornercorner with one O(22)Li3NbNi2 octahedra,  a cornercorner with one O(23)Li3NbNi2 octahedra,  a cornercorner with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra, edges with two equivalent O(1)Li3NbNi2 octahedra, and edges with two equivalent O(2)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the eighth O site, O(8) is bonded to one Li(2), one Li(6), one Nb(2), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2NbNi3 octahedra that share  a cornercorner with one O(14)Li2NbNi3 octahedra,  a cornercorner with one O(15)Li2NbNi3 octahedra,  a cornercorner with one O(13)Li3NbNi2 octahedra,  a cornercorner with one O(4)Li3NbNi2 octahedra,  a cornercorner with one O(5)Li3NbNi2 octahedra,  a cornercorner with one O(7)Li3NbNi2 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(11)Li2NbNi3 octahedra, and edges with two equivalent O(10)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the ninth O site, O(9) is bonded to one Li(2), one Li(4), one Li(5), one Nb(2), one Ni(6), and one Ni(9) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(14)Li2NbNi3 octahedra,  a cornercorner with one O(6)Li2NbNi3 octahedra,  a cornercorner with one O(13)Li3NbNi2 octahedra,  a cornercorner with one O(22)Li3NbNi2 octahedra,  a cornercorner with one O(4)Li3NbNi2 octahedra,  a cornercorner with one O(5)Li3NbNi2 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra, edges with two equivalent O(10)Li3NbNi2 octahedra, and edges with two equivalent O(17)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(6), one Nb(2), one Ni(2), and one Ni(6) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(16)Li2NbNi3 octahedra,  a cornercorner with one O(12)Li3NbNi2 octahedra,  a cornercorner with one O(19)Li3NbNi2 octahedra,  a cornercorner with one O(2)Li3NbNi2 octahedra,  a cornercorner with one O(20)Li3NbNi2 octahedra,  a cornercorner with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra, edges with two equivalent O(8)Li2NbNi3 octahedra, and edges with two equivalent O(9)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the eleventh O site, O(11) is bonded to one Li(3), one Li(6), one Nb(3), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2NbNi3 octahedra that share  a cornercorner with one O(16)Li2NbNi3 octahedra,  a cornercorner with one O(1)Li3NbNi2 octahedra,  a cornercorner with one O(17)Li3NbNi2 octahedra,  a cornercorner with one O(19)Li3NbNi2 octahedra,  a cornercorner with one O(2)Li3NbNi2 octahedra,  a cornercorner with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra, edges with two equivalent O(6)Li2NbNi3 octahedra, and edges with two equivalent O(8)Li2NbNi3 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Li(5), one Nb(3), one Ni(1), and one Ni(5) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(16)Li2NbNi3 octahedra,  a cornercorner with one O(1)Li3NbNi2 octahedra,  a cornercorner with one O(10)Li3NbNi2 octahedra,  a cornercorner with one O(17)Li3NbNi2 octahedra,  a cornercorner with one O(18)Li3NbNi2 octahedra,  a cornercorner with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(6)Li2NbNi3 octahedra, and edges with two equivalent O(4)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the thirteenth O site, O(13) is bonded to one Li(10), one Li(7), one Li(8), one Nb(2), one Ni(6), and one Ni(9) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(15)Li2NbNi3 octahedra,  a cornercorner with one O(8)Li2NbNi3 octahedra,  a cornercorner with one O(23)Li3NbNi2 octahedra,  a cornercorner with one O(24)Li3NbNi2 octahedra,  a cornercorner with one O(7)Li3NbNi2 octahedra,  a cornercorner with one O(9)Li3NbNi2 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(19)Li3NbNi2 octahedra, and edges with two equivalent O(20)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fourteenth O site, O(14) is bonded to one Li(6), one Li(8), one Nb(2), one Ni(4), one Ni(7), and one Ni(8) atom to form OLi2NbNi3 octahedra that share  a cornercorner with one O(6)Li2NbNi3 octahedra,  a cornercorner with one O(8)Li2NbNi3 octahedra,  a cornercorner with one O(22)Li3NbNi2 octahedra,  a cornercorner with one O(23)Li3NbNi2 octahedra,  a cornercorner with one O(24)Li3NbNi2 octahedra,  a cornercorner with one O(9)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra, edges with two equivalent O(16)Li2NbNi3 octahedra, and edges with two equivalent O(19)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(9), one Nb(3), one Ni(4), one Ni(8), and one Ni(9) atom to form OLi2NbNi3 octahedra that share  a cornercorner with one O(6)Li2NbNi3 octahedra,  a cornercorner with one O(8)Li2NbNi3 octahedra,  a cornercorner with one O(13)Li3NbNi2 octahedra,  a cornercorner with one O(22)Li3NbNi2 octahedra,  a cornercorner with one O(23)Li3NbNi2 octahedra,  a cornercorner with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(16)Li2NbNi3 octahedra, and edges with two equivalent O(17)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the sixteenth O site, O(16) is bonded to one Li(6), one Li(9), one Nb(3), one Ni(4), one Ni(7), and one Ni(8) atom to form OLi2NbNi3 octahedra that share  a cornercorner with one O(11)Li2NbNi3 octahedra,  a cornercorner with one O(10)Li3NbNi2 octahedra,  a cornercorner with one O(12)Li3NbNi2 octahedra,  a cornercorner with one O(18)Li3NbNi2 octahedra,  a cornercorner with one O(20)Li3NbNi2 octahedra,  a cornercorner with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra, edges with two equivalent O(14)Li2NbNi3 octahedra, and edges with two equivalent O(15)Li2NbNi3 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the seventeenth O site, O(17) is bonded to one Li(4), one Li(5), one Li(9), one Nb(3), one Ni(6), and one Ni(9) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(11)Li2NbNi3 octahedra,  a cornercorner with one O(12)Li3NbNi2 octahedra,  a cornercorner with one O(19)Li3NbNi2 octahedra,  a cornercorner with one O(20)Li3NbNi2 octahedra,  a cornercorner with one O(21)Li3NbNi2 octahedra,  a cornercorner with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra, edges with two equivalent O(15)Li2NbNi3 octahedra, and edges with two equivalent O(9)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(7), one Li(8), one Nb(1), one Ni(1), and one Ni(7) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(16)Li2NbNi3 octahedra,  a cornercorner with one O(12)Li3NbNi2 octahedra,  a cornercorner with one O(19)Li3NbNi2 octahedra,  a cornercorner with one O(2)Li3NbNi2 octahedra,  a cornercorner with one O(20)Li3NbNi2 octahedra,  a cornercorner with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra, edges with two equivalent O(23)Li3NbNi2 octahedra, and edges with two equivalent O(24)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the nineteenth O site, O(19) is bonded to one Li(6), one Li(7), one Li(8), one Nb(2), one Ni(6), and one Ni(7) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(11)Li2NbNi3 octahedra,  a cornercorner with one O(1)Li3NbNi2 octahedra,  a cornercorner with one O(10)Li3NbNi2 octahedra,  a cornercorner with one O(17)Li3NbNi2 octahedra,  a cornercorner with one O(18)Li3NbNi2 octahedra,  a cornercorner with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(14)Li2NbNi3 octahedra, and edges with two equivalent O(13)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the twentieth O site, O(20) is bonded to one Li(10), one Li(7), one Li(9), one Nb(4), one Ni(6), and one Ni(9) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(16)Li2NbNi3 octahedra,  a cornercorner with one O(1)Li3NbNi2 octahedra,  a cornercorner with one O(10)Li3NbNi2 octahedra,  a cornercorner with one O(17)Li3NbNi2 octahedra,  a cornercorner with one O(18)Li3NbNi2 octahedra,  a cornercorner with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(13)Li3NbNi2 octahedra, and edges with two equivalent O(22)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(11), one Li(9), one Nb(4), one Ni(7), and one Ni(8) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(16)Li2NbNi3 octahedra,  a cornercorner with one O(1)Li3NbNi2 octahedra,  a cornercorner with one O(17)Li3NbNi2 octahedra,  a cornercorner with one O(19)Li3NbNi2 octahedra,  a cornercorner with one O(2)Li3NbNi2 octahedra,  a cornercorner with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra, edges with two equivalent O(22)Li3NbNi2 octahedra, and edges with two equivalent O(23)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the twenty-second O site, O(22) is bonded to one Li(10), one Li(11), one Li(9), one Nb(4), one Ni(8), and one Ni(9) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(14)Li2NbNi3 octahedra,  a cornercorner with one O(15)Li2NbNi3 octahedra,  a cornercorner with one O(24)Li3NbNi2 octahedra,  a cornercorner with one O(5)Li3NbNi2 octahedra,  a cornercorner with one O(7)Li3NbNi2 octahedra,  a cornercorner with one O(9)Li3NbNi2 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra, edges with two equivalent O(20)Li3NbNi2 octahedra, and edges with two equivalent O(21)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(11), one Li(8), one Nb(1), one Ni(7), and one Ni(8) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(14)Li2NbNi3 octahedra,  a cornercorner with one O(15)Li2NbNi3 octahedra,  a cornercorner with one O(13)Li3NbNi2 octahedra,  a cornercorner with one O(4)Li3NbNi2 octahedra,  a cornercorner with one O(5)Li3NbNi2 octahedra,  a cornercorner with one O(7)Li3NbNi2 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra, edges with two equivalent O(18)Li3NbNi2 octahedra, and edges with two equivalent O(21)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twenty-fourth O site, O(24) is bonded to one Li(10), one Li(7), one Li(8), one Nb(1), one Ni(1), and one Ni(5) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(14)Li2NbNi3 octahedra,  a cornercorner with one O(6)Li2NbNi3 octahedra,  a cornercorner with one O(13)Li3NbNi2 octahedra,  a cornercorner with one O(22)Li3NbNi2 octahedra,  a cornercorner with one O(4)Li3NbNi2 octahedra,  a cornercorner with one O(5)Li3NbNi2 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra, edges with two equivalent O(1)Li3NbNi2 octahedra, and edges with two equivalent O(18)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. is represented by the CIF card [CIF]
data_Li11Nb4(Ni3O8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.261
_cell_length_b   9.337
_cell_length_c   9.866
_cell_angle_alpha   73.442
_cell_angle_beta   81.853
_cell_angle_gamma   79.746
_symmetry_Int_Tables_number   1
_cell_volume   455.038
_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  0.728  0.586  0.979  1.0
  Li  Li1  1  0.935  0.755  0.688  1.0
  Li  Li2  1  0.557  0.250  0.814  1.0
  Li  Li3  1  0.394  0.917  0.646  1.0
  Li  Li4  1  0.857  0.073  0.607  1.0
  Li  Li5  1  0.229  0.586  0.478  1.0
  Li  Li6  1  0.898  0.915  0.146  1.0
  Li  Li7  1  0.438  0.755  0.185  1.0
  Li  Li8  1  0.068  0.250  0.311  1.0
  Li  Li9  1  0.356  0.074  0.106  1.0
  Li  Li10  1  0.273  0.409  0.023  1.0
  Nb  Nb11  1  0.189  0.746  0.938  1.0
  Nb  Nb12  1  0.689  0.744  0.440  1.0
  Nb  Nb13  1  0.314  0.254  0.561  1.0
  Nb  Nb14  1  0.813  0.249  0.063  1.0
  Ni  Ni15  1  0.644  0.924  0.894  1.0
  Ni  Ni16  1  0.477  0.578  0.733  1.0
  Ni  Ni17  1  0.013  0.424  0.774  1.0
  Ni  Ni18  1  0.771  0.410  0.521  1.0
  Ni  Ni19  1  0.104  0.084  0.855  1.0
  Ni  Ni20  1  0.144  0.923  0.394  1.0
  Ni  Ni21  1  0.984  0.578  0.229  1.0
  Ni  Ni22  1  0.525  0.424  0.264  1.0
  Ni  Ni23  1  0.603  0.083  0.353  1.0
  O  O24  1  0.736  0.089  0.980  1.0
  O  O25  1  0.654  0.412  0.899  1.0
  O  O26  1  0.537  0.751  0.820  1.0
  O  O27  1  0.014  0.912  0.782  1.0
  O  O28  1  0.115  0.589  0.853  1.0
  O  O29  1  0.962  0.249  0.684  1.0
  O  O30  1  0.161  0.251  0.945  1.0
  O  O31  1  0.837  0.590  0.609  1.0
  O  O32  1  0.782  0.910  0.511  1.0
  O  O33  1  0.339  0.748  0.555  1.0
  O  O34  1  0.361  0.415  0.653  1.0
  O  O35  1  0.469  0.092  0.725  1.0
  O  O36  1  0.512  0.910  0.284  1.0
  O  O37  1  0.618  0.589  0.347  1.0
  O  O38  1  0.664  0.247  0.441  1.0
  O  O39  1  0.180  0.415  0.390  1.0
  O  O40  1  0.237  0.091  0.480  1.0
  O  O41  1  0.839  0.750  0.054  1.0
  O  O42  1  0.036  0.749  0.322  1.0
  O  O43  1  0.968  0.089  0.226  1.0
  O  O44  1  0.889  0.412  0.145  1.0
  O  O45  1  0.464  0.250  0.180  1.0
  O  O46  1  0.341  0.589  0.103  1.0
  O  O47  1  0.281  0.911  0.012  1.0
[/CIF]
.
The material structure described by Li11Nb4(Ni3O8)3 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(18), one O(2), one O(21), one O(23), one O(3), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Nb(4)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(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(11)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Li site, Li(2) is bonded to one O(10), one O(3), 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(11)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)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 Ni(3)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(17), one O(3), one O(4), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fifth Li site, Li(5) is bonded to one O(12), one O(15), one O(17), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(9)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,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(14), one O(16), one O(19), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the seventh Li site, Li(7) is bonded to one O(1), one O(13), one O(18), one O(19), one O(20), and one O(24) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the eighth Li site, Li(8) is bonded to one O(13), one O(14), one O(18), one O(19), one O(23), and one O(24) atom to form LiO6 octahedra that share  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the ninth Li site, Li(9) is bonded to one O(15), one O(16), one O(17), one O(20), one O(21), and one O(22) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the tenth Li site, Li(10) is bonded to one O(1), one O(13), one O(20), one O(22), one O(24), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the eleventh Li site, Li(11) is bonded to one O(2), one O(21), one O(22), one O(23), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(18), one O(23), one O(24), one O(3), one O(4), and one O(5) atom to form NbO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)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 1-5°. In the second Nb site, Nb(2) is bonded to one O(10), one O(13), one O(14), one O(19), one O(8), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third Nb site, Nb(3) is bonded to one O(11), one O(12), one O(15), one O(16), one O(17), and one O(6) atom to form NbO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fourth Nb site, Nb(4) is bonded to one O(1), one O(2), one O(20), one O(21), one O(22), and one O(7) atom to form NbO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(12), one O(18), one O(24), one O(3), and one O(4) atom to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)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 Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)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 Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the third Ni site, Ni(3) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  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 Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fourth Ni site, Ni(4) is bonded to one O(11), one O(14), one O(15), one O(16), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(12), one O(24), one O(4), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the sixth Ni site, Ni(6) is bonded to one O(10), one O(13), one O(17), one O(19), one O(20), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the seventh Ni site, Ni(7) is bonded to one O(14), one O(16), one O(18), one O(19), one O(21), and one O(23) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the eighth Ni site, Ni(8) is bonded to one O(14), one O(15), one O(16), one O(21), one O(22), and one O(23) atom to form NiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  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 Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the ninth Ni site, Ni(9) is bonded to one O(13), one O(15), one O(17), one O(20), one O(22), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(11)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(10), one Li(3), one Li(7), one Nb(4), one Ni(1), and one Ni(5) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(11)Li2NbNi3 octahedra,  a cornercorner with one O(12)Li3NbNi2 octahedra,  a cornercorner with one O(19)Li3NbNi2 octahedra,  a cornercorner with one O(20)Li3NbNi2 octahedra,  a cornercorner with one O(21)Li3NbNi2 octahedra,  a cornercorner with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra, edges with two equivalent O(24)Li3NbNi2 octahedra, and edges with two equivalent O(7)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second O site, O(2) is bonded to one Li(1), one Li(11), one Li(3), one Nb(4), one Ni(2), and one Ni(3) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(11)Li2NbNi3 octahedra,  a cornercorner with one O(10)Li3NbNi2 octahedra,  a cornercorner with one O(12)Li3NbNi2 octahedra,  a cornercorner with one O(18)Li3NbNi2 octahedra,  a cornercorner with one O(20)Li3NbNi2 octahedra,  a cornercorner with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra, edges with two equivalent O(5)Li3NbNi2 octahedra, and edges with two equivalent O(7)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one Nb(1), one Ni(1), and one Ni(2) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(11)Li2NbNi3 octahedra,  a cornercorner with one O(1)Li3NbNi2 octahedra,  a cornercorner with one O(10)Li3NbNi2 octahedra,  a cornercorner with one O(17)Li3NbNi2 octahedra,  a cornercorner with one O(18)Li3NbNi2 octahedra,  a cornercorner with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(4)Li3NbNi2 octahedra, and edges with two equivalent O(5)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(5), one Nb(1), one Ni(1), and one Ni(5) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(15)Li2NbNi3 octahedra,  a cornercorner with one O(8)Li2NbNi3 octahedra,  a cornercorner with one O(23)Li3NbNi2 octahedra,  a cornercorner with one O(24)Li3NbNi2 octahedra,  a cornercorner with one O(7)Li3NbNi2 octahedra,  a cornercorner with one O(9)Li3NbNi2 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(12)Li3NbNi2 octahedra, and edges with two equivalent O(3)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fifth O site, O(5) is bonded to one Li(1), one Li(11), one Li(2), one Nb(1), one Ni(2), and one Ni(3) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(6)Li2NbNi3 octahedra,  a cornercorner with one O(8)Li2NbNi3 octahedra,  a cornercorner with one O(22)Li3NbNi2 octahedra,  a cornercorner with one O(23)Li3NbNi2 octahedra,  a cornercorner with one O(24)Li3NbNi2 octahedra,  a cornercorner with one O(9)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra, edges with two equivalent O(2)Li3NbNi2 octahedra, and edges with two equivalent O(3)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth O site, O(6) is bonded to one Li(3), one Li(5), one Nb(3), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi2NbNi3 octahedra that share  a cornercorner with one O(14)Li2NbNi3 octahedra,  a cornercorner with one O(15)Li2NbNi3 octahedra,  a cornercorner with one O(24)Li3NbNi2 octahedra,  a cornercorner with one O(5)Li3NbNi2 octahedra,  a cornercorner with one O(7)Li3NbNi2 octahedra,  a cornercorner with one O(9)Li3NbNi2 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra, edges with two equivalent O(11)Li2NbNi3 octahedra, and edges with two equivalent O(12)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the seventh O site, O(7) is bonded to one Li(10), one Li(11), one Li(3), one Nb(4), one Ni(3), and one Ni(5) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(6)Li2NbNi3 octahedra,  a cornercorner with one O(8)Li2NbNi3 octahedra,  a cornercorner with one O(13)Li3NbNi2 octahedra,  a cornercorner with one O(22)Li3NbNi2 octahedra,  a cornercorner with one O(23)Li3NbNi2 octahedra,  a cornercorner with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra, edges with two equivalent O(1)Li3NbNi2 octahedra, and edges with two equivalent O(2)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the eighth O site, O(8) is bonded to one Li(2), one Li(6), one Nb(2), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2NbNi3 octahedra that share  a cornercorner with one O(14)Li2NbNi3 octahedra,  a cornercorner with one O(15)Li2NbNi3 octahedra,  a cornercorner with one O(13)Li3NbNi2 octahedra,  a cornercorner with one O(4)Li3NbNi2 octahedra,  a cornercorner with one O(5)Li3NbNi2 octahedra,  a cornercorner with one O(7)Li3NbNi2 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(11)Li2NbNi3 octahedra, and edges with two equivalent O(10)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the ninth O site, O(9) is bonded to one Li(2), one Li(4), one Li(5), one Nb(2), one Ni(6), and one Ni(9) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(14)Li2NbNi3 octahedra,  a cornercorner with one O(6)Li2NbNi3 octahedra,  a cornercorner with one O(13)Li3NbNi2 octahedra,  a cornercorner with one O(22)Li3NbNi2 octahedra,  a cornercorner with one O(4)Li3NbNi2 octahedra,  a cornercorner with one O(5)Li3NbNi2 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra, edges with two equivalent O(10)Li3NbNi2 octahedra, and edges with two equivalent O(17)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(6), one Nb(2), one Ni(2), and one Ni(6) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(16)Li2NbNi3 octahedra,  a cornercorner with one O(12)Li3NbNi2 octahedra,  a cornercorner with one O(19)Li3NbNi2 octahedra,  a cornercorner with one O(2)Li3NbNi2 octahedra,  a cornercorner with one O(20)Li3NbNi2 octahedra,  a cornercorner with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra, edges with two equivalent O(8)Li2NbNi3 octahedra, and edges with two equivalent O(9)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the eleventh O site, O(11) is bonded to one Li(3), one Li(6), one Nb(3), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2NbNi3 octahedra that share  a cornercorner with one O(16)Li2NbNi3 octahedra,  a cornercorner with one O(1)Li3NbNi2 octahedra,  a cornercorner with one O(17)Li3NbNi2 octahedra,  a cornercorner with one O(19)Li3NbNi2 octahedra,  a cornercorner with one O(2)Li3NbNi2 octahedra,  a cornercorner with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra, edges with two equivalent O(6)Li2NbNi3 octahedra, and edges with two equivalent O(8)Li2NbNi3 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Li(5), one Nb(3), one Ni(1), and one Ni(5) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(16)Li2NbNi3 octahedra,  a cornercorner with one O(1)Li3NbNi2 octahedra,  a cornercorner with one O(10)Li3NbNi2 octahedra,  a cornercorner with one O(17)Li3NbNi2 octahedra,  a cornercorner with one O(18)Li3NbNi2 octahedra,  a cornercorner with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(6)Li2NbNi3 octahedra, and edges with two equivalent O(4)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the thirteenth O site, O(13) is bonded to one Li(10), one Li(7), one Li(8), one Nb(2), one Ni(6), and one Ni(9) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(15)Li2NbNi3 octahedra,  a cornercorner with one O(8)Li2NbNi3 octahedra,  a cornercorner with one O(23)Li3NbNi2 octahedra,  a cornercorner with one O(24)Li3NbNi2 octahedra,  a cornercorner with one O(7)Li3NbNi2 octahedra,  a cornercorner with one O(9)Li3NbNi2 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(19)Li3NbNi2 octahedra, and edges with two equivalent O(20)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fourteenth O site, O(14) is bonded to one Li(6), one Li(8), one Nb(2), one Ni(4), one Ni(7), and one Ni(8) atom to form OLi2NbNi3 octahedra that share  a cornercorner with one O(6)Li2NbNi3 octahedra,  a cornercorner with one O(8)Li2NbNi3 octahedra,  a cornercorner with one O(22)Li3NbNi2 octahedra,  a cornercorner with one O(23)Li3NbNi2 octahedra,  a cornercorner with one O(24)Li3NbNi2 octahedra,  a cornercorner with one O(9)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra, edges with two equivalent O(16)Li2NbNi3 octahedra, and edges with two equivalent O(19)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(9), one Nb(3), one Ni(4), one Ni(8), and one Ni(9) atom to form OLi2NbNi3 octahedra that share  a cornercorner with one O(6)Li2NbNi3 octahedra,  a cornercorner with one O(8)Li2NbNi3 octahedra,  a cornercorner with one O(13)Li3NbNi2 octahedra,  a cornercorner with one O(22)Li3NbNi2 octahedra,  a cornercorner with one O(23)Li3NbNi2 octahedra,  a cornercorner with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(16)Li2NbNi3 octahedra, and edges with two equivalent O(17)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the sixteenth O site, O(16) is bonded to one Li(6), one Li(9), one Nb(3), one Ni(4), one Ni(7), and one Ni(8) atom to form OLi2NbNi3 octahedra that share  a cornercorner with one O(11)Li2NbNi3 octahedra,  a cornercorner with one O(10)Li3NbNi2 octahedra,  a cornercorner with one O(12)Li3NbNi2 octahedra,  a cornercorner with one O(18)Li3NbNi2 octahedra,  a cornercorner with one O(20)Li3NbNi2 octahedra,  a cornercorner with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li2NbNi3 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra, edges with two equivalent O(14)Li2NbNi3 octahedra, and edges with two equivalent O(15)Li2NbNi3 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the seventeenth O site, O(17) is bonded to one Li(4), one Li(5), one Li(9), one Nb(3), one Ni(6), and one Ni(9) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(11)Li2NbNi3 octahedra,  a cornercorner with one O(12)Li3NbNi2 octahedra,  a cornercorner with one O(19)Li3NbNi2 octahedra,  a cornercorner with one O(20)Li3NbNi2 octahedra,  a cornercorner with one O(21)Li3NbNi2 octahedra,  a cornercorner with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(6)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra, edges with two equivalent O(15)Li2NbNi3 octahedra, and edges with two equivalent O(9)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(7), one Li(8), one Nb(1), one Ni(1), and one Ni(7) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(16)Li2NbNi3 octahedra,  a cornercorner with one O(12)Li3NbNi2 octahedra,  a cornercorner with one O(19)Li3NbNi2 octahedra,  a cornercorner with one O(2)Li3NbNi2 octahedra,  a cornercorner with one O(20)Li3NbNi2 octahedra,  a cornercorner with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra, edges with two equivalent O(23)Li3NbNi2 octahedra, and edges with two equivalent O(24)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the nineteenth O site, O(19) is bonded to one Li(6), one Li(7), one Li(8), one Nb(2), one Ni(6), and one Ni(7) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(11)Li2NbNi3 octahedra,  a cornercorner with one O(1)Li3NbNi2 octahedra,  a cornercorner with one O(10)Li3NbNi2 octahedra,  a cornercorner with one O(17)Li3NbNi2 octahedra,  a cornercorner with one O(18)Li3NbNi2 octahedra,  a cornercorner with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li3NbNi2 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(14)Li2NbNi3 octahedra, and edges with two equivalent O(13)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the twentieth O site, O(20) is bonded to one Li(10), one Li(7), one Li(9), one Nb(4), one Ni(6), and one Ni(9) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(16)Li2NbNi3 octahedra,  a cornercorner with one O(1)Li3NbNi2 octahedra,  a cornercorner with one O(10)Li3NbNi2 octahedra,  a cornercorner with one O(17)Li3NbNi2 octahedra,  a cornercorner with one O(18)Li3NbNi2 octahedra,  a cornercorner with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(21)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra,  an edgeedge with one O(9)Li3NbNi2 octahedra, edges with two equivalent O(13)Li3NbNi2 octahedra, and edges with two equivalent O(22)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(11), one Li(9), one Nb(4), one Ni(7), and one Ni(8) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(16)Li2NbNi3 octahedra,  a cornercorner with one O(1)Li3NbNi2 octahedra,  a cornercorner with one O(17)Li3NbNi2 octahedra,  a cornercorner with one O(19)Li3NbNi2 octahedra,  a cornercorner with one O(2)Li3NbNi2 octahedra,  a cornercorner with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(18)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra, edges with two equivalent O(22)Li3NbNi2 octahedra, and edges with two equivalent O(23)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the twenty-second O site, O(22) is bonded to one Li(10), one Li(11), one Li(9), one Nb(4), one Ni(8), and one Ni(9) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(14)Li2NbNi3 octahedra,  a cornercorner with one O(15)Li2NbNi3 octahedra,  a cornercorner with one O(24)Li3NbNi2 octahedra,  a cornercorner with one O(5)Li3NbNi2 octahedra,  a cornercorner with one O(7)Li3NbNi2 octahedra,  a cornercorner with one O(9)Li3NbNi2 octahedra,  an edgeedge with one O(15)Li2NbNi3 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(17)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra, edges with two equivalent O(20)Li3NbNi2 octahedra, and edges with two equivalent O(21)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(11), one Li(8), one Nb(1), one Ni(7), and one Ni(8) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(14)Li2NbNi3 octahedra,  a cornercorner with one O(15)Li2NbNi3 octahedra,  a cornercorner with one O(13)Li3NbNi2 octahedra,  a cornercorner with one O(4)Li3NbNi2 octahedra,  a cornercorner with one O(5)Li3NbNi2 octahedra,  a cornercorner with one O(7)Li3NbNi2 octahedra,  an edgeedge with one O(14)Li2NbNi3 octahedra,  an edgeedge with one O(16)Li2NbNi3 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(2)Li3NbNi2 octahedra,  an edgeedge with one O(22)Li3NbNi2 octahedra,  an edgeedge with one O(24)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra, edges with two equivalent O(18)Li3NbNi2 octahedra, and edges with two equivalent O(21)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twenty-fourth O site, O(24) is bonded to one Li(10), one Li(7), one Li(8), one Nb(1), one Ni(1), and one Ni(5) atom to form OLi3NbNi2 octahedra that share  a cornercorner with one O(14)Li2NbNi3 octahedra,  a cornercorner with one O(6)Li2NbNi3 octahedra,  a cornercorner with one O(13)Li3NbNi2 octahedra,  a cornercorner with one O(22)Li3NbNi2 octahedra,  a cornercorner with one O(4)Li3NbNi2 octahedra,  a cornercorner with one O(5)Li3NbNi2 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(13)Li3NbNi2 octahedra,  an edgeedge with one O(19)Li3NbNi2 octahedra,  an edgeedge with one O(20)Li3NbNi2 octahedra,  an edgeedge with one O(23)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(7)Li3NbNi2 octahedra, edges with two equivalent O(1)Li3NbNi2 octahedra, and edges with two equivalent O(18)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. is represented by the CIF card [CIF]
data_Li11Nb4(Ni3O8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.261
_cell_length_b   9.337
_cell_length_c   9.866
_cell_angle_alpha   73.442
_cell_angle_beta   81.853
_cell_angle_gamma   79.746
_symmetry_Int_Tables_number   1
_cell_volume   455.038
_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  0.728  0.586  0.979  1.0
  Li  Li1  1  0.935  0.755  0.688  1.0
  Li  Li2  1  0.557  0.250  0.814  1.0
  Li  Li3  1  0.394  0.917  0.646  1.0
  Li  Li4  1  0.857  0.073  0.607  1.0
  Li  Li5  1  0.229  0.586  0.478  1.0
  Li  Li6  1  0.898  0.915  0.146  1.0
  Li  Li7  1  0.438  0.755  0.185  1.0
  Li  Li8  1  0.068  0.250  0.311  1.0
  Li  Li9  1  0.356  0.074  0.106  1.0
  Li  Li10  1  0.273  0.409  0.023  1.0
  Nb  Nb11  1  0.189  0.746  0.938  1.0
  Nb  Nb12  1  0.689  0.744  0.440  1.0
  Nb  Nb13  1  0.314  0.254  0.561  1.0
  Nb  Nb14  1  0.813  0.249  0.063  1.0
  Ni  Ni15  1  0.644  0.924  0.894  1.0
  Ni  Ni16  1  0.477  0.578  0.733  1.0
  Ni  Ni17  1  0.013  0.424  0.774  1.0
  Ni  Ni18  1  0.771  0.410  0.521  1.0
  Ni  Ni19  1  0.104  0.084  0.855  1.0
  Ni  Ni20  1  0.144  0.923  0.394  1.0
  Ni  Ni21  1  0.984  0.578  0.229  1.0
  Ni  Ni22  1  0.525  0.424  0.264  1.0
  Ni  Ni23  1  0.603  0.083  0.353  1.0
  O  O24  1  0.736  0.089  0.980  1.0
  O  O25  1  0.654  0.412  0.899  1.0
  O  O26  1  0.537  0.751  0.820  1.0
  O  O27  1  0.014  0.912  0.782  1.0
  O  O28  1  0.115  0.589  0.853  1.0
  O  O29  1  0.962  0.249  0.684  1.0
  O  O30  1  0.161  0.251  0.945  1.0
  O  O31  1  0.837  0.590  0.609  1.0
  O  O32  1  0.782  0.910  0.511  1.0
  O  O33  1  0.339  0.748  0.555  1.0
  O  O34  1  0.361  0.415  0.653  1.0
  O  O35  1  0.469  0.092  0.725  1.0
  O  O36  1  0.512  0.910  0.284  1.0
  O  O37  1  0.618  0.589  0.347  1.0
  O  O38  1  0.664  0.247  0.441  1.0
  O  O39  1  0.180  0.415  0.390  1.0
  O  O40  1  0.237  0.091  0.480  1.0
  O  O41  1  0.839  0.750  0.054  1.0
  O  O42  1  0.036  0.749  0.322  1.0
  O  O43  1  0.968  0.089  0.226  1.0
  O  O44  1  0.889  0.412  0.145  1.0
  O  O45  1  0.464  0.250  0.180  1.0
  O  O46  1  0.341  0.589  0.103  1.0
  O  O47  1  0.281  0.911  0.012  1.0
[/CIF]
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