Li5Nb2Ni5O12 is alpha Po-derived structured and crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(4), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(4), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)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 2-3°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second Ni site, Ni(2) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the third Ni site, Ni(3) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(12), one O(2), one O(3), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(5), one Nb(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2NbNi3 octahedra that share corners with two equivalent O(10)Li2NbNi3 octahedra, corners with two equivalent O(8)Li2NbNi3 octahedra, corners with two equivalent O(9)Li2NbNi3 octahedra,  an edgeedge with one O(2)Li2NbNi3 octahedra,  an edgeedge with one O(7)Li2NbNi3 octahedra, edges with two equivalent O(9)Li2NbNi3 octahedra, edges with two equivalent O(11)Li3NbNi2 octahedra, edges with two equivalent O(4)Li3NbNi2 octahedra, edges with two equivalent O(5)Li3NbNi2 octahedra, and edges with two equivalent O(6)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Nb(2), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi2NbNi3 octahedra that share corners with two equivalent O(10)Li2NbNi3 octahedra, corners with two equivalent O(7)Li2NbNi3 octahedra, corners with two equivalent O(9)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra, edges with two equivalent O(10)Li2NbNi3 octahedra, edges with two equivalent O(12)Li3NbNi2 octahedra, edges with two equivalent O(3)Li3NbNi2 octahedra, edges with two equivalent O(5)Li3NbNi2 octahedra, and edges with two equivalent O(6)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(3), one Nb(1), one Ni(4), and one Ni(5) atom to form OLi3NbNi2 octahedra that share corners with two equivalent O(11)Li3NbNi2 octahedra, corners with two equivalent O(12)Li3NbNi2 octahedra, corners with two equivalent O(6)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra, edges with two equivalent O(10)Li2NbNi3 octahedra, edges with two equivalent O(2)Li2NbNi3 octahedra, edges with two equivalent O(7)Li2NbNi3 octahedra, edges with two equivalent O(8)Li2NbNi3 octahedra, and edges with two equivalent O(12)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Li(5), one Nb(1), one Ni(1), and one Ni(2) atom to form OLi3NbNi2 octahedra that share corners with two equivalent O(11)Li3NbNi2 octahedra, corners with two equivalent O(12)Li3NbNi2 octahedra, corners with two equivalent O(5)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(6)Li3NbNi2 octahedra, edges with two equivalent O(1)Li2NbNi3 octahedra, edges with two equivalent O(7)Li2NbNi3 octahedra, edges with two equivalent O(8)Li2NbNi3 octahedra, edges with two equivalent O(9)Li2NbNi3 octahedra, and edges with two equivalent O(11)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(5), one Nb(2), one Ni(3), and one Ni(5) atom to form OLi3NbNi2 octahedra that share corners with two equivalent O(12)Li3NbNi2 octahedra, corners with two equivalent O(4)Li3NbNi2 octahedra, corners with two equivalent O(6)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra, edges with two equivalent O(1)Li2NbNi3 octahedra, edges with two equivalent O(10)Li2NbNi3 octahedra, edges with two equivalent O(2)Li2NbNi3 octahedra, edges with two equivalent O(9)Li2NbNi3 octahedra, and edges with two equivalent O(6)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Li(5), one Nb(2), one Ni(3), and one Ni(5) atom to form OLi3NbNi2 octahedra that share corners with two equivalent O(11)Li3NbNi2 octahedra, corners with two equivalent O(3)Li3NbNi2 octahedra, corners with two equivalent O(5)Li3NbNi2 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra, edges with two equivalent O(1)Li2NbNi3 octahedra, edges with two equivalent O(10)Li2NbNi3 octahedra, edges with two equivalent O(2)Li2NbNi3 octahedra, edges with two equivalent O(9)Li2NbNi3 octahedra, and edges with two equivalent O(5)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Nb(1), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi2NbNi3 octahedra that share corners with two equivalent O(2)Li2NbNi3 octahedra, corners with two equivalent O(8)Li2NbNi3 octahedra, corners with two equivalent O(9)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li2NbNi3 octahedra, edges with two equivalent O(8)Li2NbNi3 octahedra, edges with two equivalent O(11)Li3NbNi2 octahedra, edges with two equivalent O(12)Li3NbNi2 octahedra, edges with two equivalent O(3)Li3NbNi2 octahedra, and edges with two equivalent O(4)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Nb(1), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi2NbNi3 octahedra that share corners with two equivalent O(1)Li2NbNi3 octahedra, corners with two equivalent O(10)Li2NbNi3 octahedra, corners with two equivalent O(7)Li2NbNi3 octahedra,  an edgeedge with one O(2)Li2NbNi3 octahedra,  an edgeedge with one O(9)Li2NbNi3 octahedra, edges with two equivalent O(7)Li2NbNi3 octahedra, edges with two equivalent O(11)Li3NbNi2 octahedra, edges with two equivalent O(12)Li3NbNi2 octahedra, edges with two equivalent O(3)Li3NbNi2 octahedra, and edges with two equivalent O(4)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the ninth O site, O(9) is bonded to one Li(4), one Li(5), one Nb(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2NbNi3 octahedra that share corners with two equivalent O(1)Li2NbNi3 octahedra, corners with two equivalent O(2)Li2NbNi3 octahedra, corners with two equivalent O(7)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra, edges with two equivalent O(1)Li2NbNi3 octahedra, edges with two equivalent O(11)Li3NbNi2 octahedra, edges with two equivalent O(4)Li3NbNi2 octahedra, edges with two equivalent O(5)Li3NbNi2 octahedra, and edges with two equivalent O(6)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Nb(2), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi2NbNi3 octahedra that share corners with two equivalent O(1)Li2NbNi3 octahedra, corners with two equivalent O(2)Li2NbNi3 octahedra, corners with two equivalent O(8)Li2NbNi3 octahedra,  an edgeedge with one O(7)Li2NbNi3 octahedra,  an edgeedge with one O(9)Li2NbNi3 octahedra, edges with two equivalent O(2)Li2NbNi3 octahedra, edges with two equivalent O(12)Li3NbNi2 octahedra, edges with two equivalent O(3)Li3NbNi2 octahedra, edges with two equivalent O(5)Li3NbNi2 octahedra, and edges with two equivalent O(6)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the eleventh O site, O(11) is bonded to one Li(3), one Li(4), one Li(5), one Nb(1), one Ni(1), and one Ni(2) atom to form OLi3NbNi2 octahedra that share corners with two equivalent O(3)Li3NbNi2 octahedra, corners with two equivalent O(4)Li3NbNi2 octahedra, corners with two equivalent O(6)Li3NbNi2 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra, edges with two equivalent O(1)Li2NbNi3 octahedra, edges with two equivalent O(7)Li2NbNi3 octahedra, edges with two equivalent O(8)Li2NbNi3 octahedra, edges with two equivalent O(9)Li2NbNi3 octahedra, and edges with two equivalent O(4)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(3), one Nb(1), one Ni(4), and one Ni(5) atom to form OLi3NbNi2 octahedra that share corners with two equivalent O(3)Li3NbNi2 octahedra, corners with two equivalent O(4)Li3NbNi2 octahedra, corners with two equivalent O(5)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li3NbNi2 octahedra,  an edgeedge with one O(6)Li3NbNi2 octahedra, edges with two equivalent O(10)Li2NbNi3 octahedra, edges with two equivalent O(2)Li2NbNi3 octahedra, edges with two equivalent O(7)Li2NbNi3 octahedra, edges with two equivalent O(8)Li2NbNi3 octahedra, and edges with two equivalent O(3)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-6°.
Li5Nb2Ni5O12 is alpha Po-derived structured and crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. The Li(1)-O(10) bond length is 2.17 Å. The Li(1)-O(12) bond length is 2.13 Å. The Li(1)-O(2) bond length is 2.18 Å. The Li(1)-O(3) bond length is 2.13 Å. The Li(1)-O(7) bond length is 2.14 Å. The Li(1)-O(8) bond length is 2.14 Å. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. The Li(2)-O(10) bond length is 2.12 Å. The Li(2)-O(12) bond length is 2.14 Å. The Li(2)-O(2) bond length is 2.12 Å. The Li(2)-O(3) bond length is 2.14 Å. The Li(2)-O(5) bond length is 2.10 Å. The Li(2)-O(6) bond length is 2.10 Å. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. The Li(3)-O(11) bond length is 2.10 Å. The Li(3)-O(12) bond length is 2.13 Å. The Li(3)-O(3) bond length is 2.13 Å. The Li(3)-O(4) bond length is 2.10 Å. The Li(3)-O(7) bond length is 2.14 Å. The Li(3)-O(8) bond length is 2.15 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(4), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. The Li(4)-O(1) bond length is 2.07 Å. The Li(4)-O(11) bond length is 2.14 Å. The Li(4)-O(4) bond length is 2.15 Å. The Li(4)-O(5) bond length is 2.25 Å. The Li(4)-O(6) bond length is 2.26 Å. The Li(4)-O(9) bond length is 2.08 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(4), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. The Li(5)-O(1) bond length is 2.11 Å. The Li(5)-O(11) bond length is 2.12 Å. The Li(5)-O(4) bond length is 2.11 Å. The Li(5)-O(5) bond length is 2.15 Å. The Li(5)-O(6) bond length is 2.14 Å. The Li(5)-O(9) bond length is 2.12 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. The Nb(1)-O(11) bond length is 2.04 Å. The Nb(1)-O(12) bond length is 2.03 Å. The Nb(1)-O(3) bond length is 2.03 Å. The Nb(1)-O(4) bond length is 2.04 Å. The Nb(1)-O(7) bond length is 2.05 Å. The Nb(1)-O(8) bond length is 2.05 Å. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)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 2-3°. The Nb(2)-O(1) bond length is 2.11 Å. The Nb(2)-O(10) bond length is 2.12 Å. The Nb(2)-O(2) bond length is 2.12 Å. The Nb(2)-O(5) bond length is 2.01 Å. The Nb(2)-O(6) bond length is 2.01 Å. The Nb(2)-O(9) bond length is 2.10 Å. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. The Ni(1)-O(1) bond length is 2.10 Å. The Ni(1)-O(11) bond length is 2.11 Å. The Ni(1)-O(4) bond length is 2.11 Å. The Ni(1)-O(7) bond length is 2.10 Å. The Ni(1)-O(8) bond length is 2.10 Å. The Ni(1)-O(9) bond length is 2.10 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Ni(2)-O(1) bond length is 2.10 Å. The Ni(2)-O(11) bond length is 2.09 Å. The Ni(2)-O(4) bond length is 2.09 Å. The Ni(2)-O(7) bond length is 2.15 Å. The Ni(2)-O(8) bond length is 2.15 Å. The Ni(2)-O(9) bond length is 2.09 Å. In the third Ni site, Ni(3) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. The Ni(3)-O(1) bond length is 2.11 Å. The Ni(3)-O(10) bond length is 2.09 Å. The Ni(3)-O(2) bond length is 2.09 Å. The Ni(3)-O(5) bond length is 2.18 Å. The Ni(3)-O(6) bond length is 2.18 Å. The Ni(3)-O(9) bond length is 2.11 Å. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(12), one O(2), one O(3), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. The Ni(4)-O(10) bond length is 2.09 Å. The Ni(4)-O(12) bond length is 2.07 Å. The Ni(4)-O(2) bond length is 2.08 Å. The Ni(4)-O(3) bond length is 2.07 Å. The Ni(4)-O(7) bond length is 2.17 Å. The Ni(4)-O(8) bond length is 2.18 Å. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. The Ni(5)-O(10) bond length is 2.07 Å. The Ni(5)-O(12) bond length is 2.13 Å. The Ni(5)-O(2) bond length is 2.07 Å. The Ni(5)-O(3) bond length is 2.13 Å. The Ni(5)-O(5) bond length is 2.13 Å. The Ni(5)-O(6) bond length is 2.13 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(5), one Nb(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2NbNi3 octahedra that share corners with two equivalent O(10)Li2NbNi3 octahedra, corners with two equivalent O(8)Li2NbNi3 octahedra, corners with two equivalent O(9)Li2NbNi3 octahedra,  an edgeedge with one O(2)Li2NbNi3 octahedra,  an edgeedge with one O(7)Li2NbNi3 octahedra, edges with two equivalent O(9)Li2NbNi3 octahedra, edges with two equivalent O(11)Li3NbNi2 octahedra, edges with two equivalent O(4)Li3NbNi2 octahedra, edges with two equivalent O(5)Li3NbNi2 octahedra, and edges with two equivalent O(6)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Nb(2), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi2NbNi3 octahedra that share corners with two equivalent O(10)Li2NbNi3 octahedra, corners with two equivalent O(7)Li2NbNi3 octahedra, corners with two equivalent O(9)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra, edges with two equivalent O(10)Li2NbNi3 octahedra, edges with two equivalent O(12)Li3NbNi2 octahedra, edges with two equivalent O(3)Li3NbNi2 octahedra, edges with two equivalent O(5)Li3NbNi2 octahedra, and edges with two equivalent O(6)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(3), one Nb(1), one Ni(4), and one Ni(5) atom to form OLi3NbNi2 octahedra that share corners with two equivalent O(11)Li3NbNi2 octahedra, corners with two equivalent O(12)Li3NbNi2 octahedra, corners with two equivalent O(6)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra, edges with two equivalent O(10)Li2NbNi3 octahedra, edges with two equivalent O(2)Li2NbNi3 octahedra, edges with two equivalent O(7)Li2NbNi3 octahedra, edges with two equivalent O(8)Li2NbNi3 octahedra, and edges with two equivalent O(12)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Li(5), one Nb(1), one Ni(1), and one Ni(2) atom to form OLi3NbNi2 octahedra that share corners with two equivalent O(11)Li3NbNi2 octahedra, corners with two equivalent O(12)Li3NbNi2 octahedra, corners with two equivalent O(5)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra,  an edgeedge with one O(6)Li3NbNi2 octahedra, edges with two equivalent O(1)Li2NbNi3 octahedra, edges with two equivalent O(7)Li2NbNi3 octahedra, edges with two equivalent O(8)Li2NbNi3 octahedra, edges with two equivalent O(9)Li2NbNi3 octahedra, and edges with two equivalent O(11)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(5), one Nb(2), one Ni(3), and one Ni(5) atom to form OLi3NbNi2 octahedra that share corners with two equivalent O(12)Li3NbNi2 octahedra, corners with two equivalent O(4)Li3NbNi2 octahedra, corners with two equivalent O(6)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li3NbNi2 octahedra,  an edgeedge with one O(3)Li3NbNi2 octahedra, edges with two equivalent O(1)Li2NbNi3 octahedra, edges with two equivalent O(10)Li2NbNi3 octahedra, edges with two equivalent O(2)Li2NbNi3 octahedra, edges with two equivalent O(9)Li2NbNi3 octahedra, and edges with two equivalent O(6)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Li(5), one Nb(2), one Ni(3), and one Ni(5) atom to form OLi3NbNi2 octahedra that share corners with two equivalent O(11)Li3NbNi2 octahedra, corners with two equivalent O(3)Li3NbNi2 octahedra, corners with two equivalent O(5)Li3NbNi2 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(4)Li3NbNi2 octahedra, edges with two equivalent O(1)Li2NbNi3 octahedra, edges with two equivalent O(10)Li2NbNi3 octahedra, edges with two equivalent O(2)Li2NbNi3 octahedra, edges with two equivalent O(9)Li2NbNi3 octahedra, and edges with two equivalent O(5)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Nb(1), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi2NbNi3 octahedra that share corners with two equivalent O(2)Li2NbNi3 octahedra, corners with two equivalent O(8)Li2NbNi3 octahedra, corners with two equivalent O(9)Li2NbNi3 octahedra,  an edgeedge with one O(1)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li2NbNi3 octahedra, edges with two equivalent O(8)Li2NbNi3 octahedra, edges with two equivalent O(11)Li3NbNi2 octahedra, edges with two equivalent O(12)Li3NbNi2 octahedra, edges with two equivalent O(3)Li3NbNi2 octahedra, and edges with two equivalent O(4)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Nb(1), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi2NbNi3 octahedra that share corners with two equivalent O(1)Li2NbNi3 octahedra, corners with two equivalent O(10)Li2NbNi3 octahedra, corners with two equivalent O(7)Li2NbNi3 octahedra,  an edgeedge with one O(2)Li2NbNi3 octahedra,  an edgeedge with one O(9)Li2NbNi3 octahedra, edges with two equivalent O(7)Li2NbNi3 octahedra, edges with two equivalent O(11)Li3NbNi2 octahedra, edges with two equivalent O(12)Li3NbNi2 octahedra, edges with two equivalent O(3)Li3NbNi2 octahedra, and edges with two equivalent O(4)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the ninth O site, O(9) is bonded to one Li(4), one Li(5), one Nb(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2NbNi3 octahedra that share corners with two equivalent O(1)Li2NbNi3 octahedra, corners with two equivalent O(2)Li2NbNi3 octahedra, corners with two equivalent O(7)Li2NbNi3 octahedra,  an edgeedge with one O(10)Li2NbNi3 octahedra,  an edgeedge with one O(8)Li2NbNi3 octahedra, edges with two equivalent O(1)Li2NbNi3 octahedra, edges with two equivalent O(11)Li3NbNi2 octahedra, edges with two equivalent O(4)Li3NbNi2 octahedra, edges with two equivalent O(5)Li3NbNi2 octahedra, and edges with two equivalent O(6)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Nb(2), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi2NbNi3 octahedra that share corners with two equivalent O(1)Li2NbNi3 octahedra, corners with two equivalent O(2)Li2NbNi3 octahedra, corners with two equivalent O(8)Li2NbNi3 octahedra,  an edgeedge with one O(7)Li2NbNi3 octahedra,  an edgeedge with one O(9)Li2NbNi3 octahedra, edges with two equivalent O(2)Li2NbNi3 octahedra, edges with two equivalent O(12)Li3NbNi2 octahedra, edges with two equivalent O(3)Li3NbNi2 octahedra, edges with two equivalent O(5)Li3NbNi2 octahedra, and edges with two equivalent O(6)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the eleventh O site, O(11) is bonded to one Li(3), one Li(4), one Li(5), one Nb(1), one Ni(1), and one Ni(2) atom to form OLi3NbNi2 octahedra that share corners with two equivalent O(3)Li3NbNi2 octahedra, corners with two equivalent O(4)Li3NbNi2 octahedra, corners with two equivalent O(6)Li3NbNi2 octahedra,  an edgeedge with one O(12)Li3NbNi2 octahedra,  an edgeedge with one O(5)Li3NbNi2 octahedra, edges with two equivalent O(1)Li2NbNi3 octahedra, edges with two equivalent O(7)Li2NbNi3 octahedra, edges with two equivalent O(8)Li2NbNi3 octahedra, edges with two equivalent O(9)Li2NbNi3 octahedra, and edges with two equivalent O(4)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(3), one Nb(1), one Ni(4), and one Ni(5) atom to form OLi3NbNi2 octahedra that share corners with two equivalent O(3)Li3NbNi2 octahedra, corners with two equivalent O(4)Li3NbNi2 octahedra, corners with two equivalent O(5)Li3NbNi2 octahedra,  an edgeedge with one O(11)Li3NbNi2 octahedra,  an edgeedge with one O(6)Li3NbNi2 octahedra, edges with two equivalent O(10)Li2NbNi3 octahedra, edges with two equivalent O(2)Li2NbNi3 octahedra, edges with two equivalent O(7)Li2NbNi3 octahedra, edges with two equivalent O(8)Li2NbNi3 octahedra, and edges with two equivalent O(3)Li3NbNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-6°.