The structure described by Li3Ni5O8 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(17), one O(19), one O(2), one O(23), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Ni(12)O6 octahedra, corners with three equivalent Ni(7)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(14)O6 octahedra,  an edgeedge with one Ni(15)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second Li site, Li(2) is bonded to one O(11), one O(14), one O(15), one O(20), one O(3), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(11)O6 octahedra, corners with three equivalent Ni(14)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(15)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,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Ni(13)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third Li site, Li(3) is bonded to one O(10), one O(13), one O(17), one O(19), one O(2), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Ni(15)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(14)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(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fourth Li site, Li(4) is bonded to one O(11), one O(14), one O(21), one O(24), one O(3), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(15)O6 octahedra, corners with three equivalent Ni(8)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(14)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(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Ni(13)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fifth Li site, Li(5) is bonded to one O(12), one O(16), one O(22), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(9)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(12)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(8)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth Li site, Li(6) is bonded to one O(10), one O(13), one O(17), one O(23), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Ni(14)O6 octahedra, corners with three equivalent Ni(6)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(15)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(1)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 2-7°. In the seventh Li site, Li(7) is bonded to one O(15), one O(20), one O(21), one O(24), one O(3), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(7)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(14)O6 octahedra,  an edgeedge with one Ni(15)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(13)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the eighth Li site, Li(8) is bonded to one O(1), one O(18), one O(22), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(6)O6 octahedra, corners with three equivalent Ni(8)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the ninth Li site, Li(9) is bonded to one O(1), one O(12), one O(16), one O(18), one O(22), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent Ni(11)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(12)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(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are fifteen inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(19), one O(2), one O(23), one O(5), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent Ni(10)O6 octahedra, corners with three equivalent Ni(9)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(14)O6 octahedra,  an edgeedge with one Ni(15)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second Ni site, Ni(2) is bonded to one O(12), one O(14), one O(18), one O(20), one O(24), and one O(6) atom to form NiO6 octahedra that share corners with three equivalent Ni(13)O6 octahedra, corners with three equivalent Ni(4)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(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Ni(11)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the third Ni site, Ni(3) is bonded to one O(1), one O(13), one O(16), one O(19), one O(4), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(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 Li(8)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(12)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(12), one O(16), one O(18), one O(6), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Ni(12)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)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, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fifth Ni site, Ni(5) is bonded to one O(12), one O(20), one O(22), one O(24), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(13)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(11)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(13), one O(23), one O(4), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(1)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 Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(12)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the seventh Ni site, Ni(7) is bonded to one O(15), one O(17), one O(2), one O(21), one O(3), and one O(5) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(13)O6 octahedra, edges with two equivalent Ni(10)O6 octahedra, edges with two equivalent Ni(14)O6 octahedra, and edges with two equivalent Ni(15)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the eighth Ni site, Ni(8) is bonded to one O(14), one O(18), one O(22), one O(24), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(13)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(11)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the ninth Ni site, Ni(9) is bonded to one O(16), one O(19), one O(23), one O(4), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(12)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the tenth Ni site, Ni(10) is bonded to one O(10), one O(11), one O(15), one O(2), one O(21), and one O(5) atom to form NiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(13)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Ni(14)O6 octahedra, edges with two equivalent Ni(15)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the eleventh Ni site, Ni(11) is bonded to one O(12), one O(14), one O(18), one O(20), one O(22), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(9)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,  an edgeedge with one Ni(13)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twelfth Ni site, Ni(12) is bonded to one O(1), one O(13), one O(16), one O(19), one O(23), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the thirteenth Ni site, Ni(13) is bonded to one O(11), one O(14), one O(15), one O(20), one O(21), and one O(24) atom to form NiO6 octahedra that share corners with three equivalent Ni(10)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(14)O6 octahedra,  an edgeedge with one Ni(15)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the fourteenth Ni site, Ni(14) is bonded to one O(10), one O(11), one O(15), one O(17), one O(3), and one O(5) atom to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(13)O6 octahedra, edges with two equivalent Ni(10)O6 octahedra, edges with two equivalent Ni(15)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fifteenth Ni site, Ni(15) is bonded to one O(10), one O(11), one O(17), one O(2), one O(21), and one O(3) atom to form NiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(13)O6 octahedra, edges with two equivalent Ni(10)O6 octahedra, edges with two equivalent Ni(14)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(8), one Li(9), one Ni(12), one Ni(3), one Ni(4), and one Ni(6) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(18)Li2Ni4 octahedra, corners with three equivalent O(13)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2Ni4 octahedra,  an edgeedge with one O(19)Li2Ni4 octahedra,  an edgeedge with one O(23)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(22)Li3Ni3 octahedra, edges with two equivalent O(16)Li2Ni4 octahedra, edges with two equivalent O(9)Li2Ni4 octahedra, and edges with two equivalent O(4)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Ni(1), one Ni(10), one Ni(15), and one Ni(7) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(19)Li2Ni4 octahedra, corners with three equivalent O(21)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(15)Li2Ni4 octahedra,  an edgeedge with one O(23)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(13)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(10)Li2Ni4 octahedra, edges with two equivalent O(5)Li2Ni4 octahedra, and edges with two equivalent O(17)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Li(7), one Ni(14), one Ni(15), and one Ni(7) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(17)Li3Ni3 octahedra, corners with three equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2Ni4 octahedra,  an edgeedge with one O(14)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(20)Li2Ni4 octahedra,  an edgeedge with one O(24)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra, edges with two equivalent O(11)Li2Ni4 octahedra, edges with two equivalent O(15)Li2Ni4 octahedra, and edges with two equivalent O(21)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(5), one Li(8), one Li(9), one Ni(3), one Ni(6), and one Ni(9) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(7)Li2Ni4 octahedra, corners with three equivalent O(22)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2Ni4 octahedra,  an edgeedge with one O(18)Li2Ni4 octahedra,  an edgeedge with one O(19)Li2Ni4 octahedra,  an edgeedge with one O(23)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(13)Li3Ni3 octahedra, edges with two equivalent O(1)Li2Ni4 octahedra, edges with two equivalent O(16)Li2Ni4 octahedra, and edges with two equivalent O(9)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the fifth O site, O(5) is bonded to one Li(1), one Li(6), one Ni(1), one Ni(10), one Ni(14), and one Ni(7) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(15)Li2Ni4 octahedra, corners with three equivalent O(23)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(19)Li2Ni4 octahedra,  an edgeedge with one O(21)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(13)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(10)Li2Ni4 octahedra, edges with two equivalent O(2)Li2Ni4 octahedra, and edges with two equivalent O(17)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded to one Li(5), one Li(8), one Ni(2), one Ni(4), one Ni(5), and one Ni(8) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(24)Li2Ni4 octahedra, corners with three equivalent O(9)Li2Ni4 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(14)Li2Ni4 octahedra,  an edgeedge with one O(16)Li2Ni4 octahedra,  an edgeedge with one O(20)Li2Ni4 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(12)Li2Ni4 octahedra, edges with two equivalent O(18)Li2Ni4 octahedra, and edges with two equivalent O(22)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(3), one Li(6), one Ni(1), one Ni(3), one Ni(6), and one Ni(9) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(10)Li2Ni4 octahedra, corners with three equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(16)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(9)Li2Ni4 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(19)Li2Ni4 octahedra, edges with two equivalent O(23)Li2Ni4 octahedra, and edges with two equivalent O(13)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(7), one Ni(11), one Ni(5), and one Ni(8) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(22)Li3Ni3 octahedra, corners with three equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(12)Li2Ni4 octahedra,  an edgeedge with one O(15)Li2Ni4 octahedra,  an edgeedge with one O(18)Li2Ni4 octahedra,  an edgeedge with one O(21)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra, edges with two equivalent O(14)Li2Ni4 octahedra, edges with two equivalent O(20)Li2Ni4 octahedra, and edges with two equivalent O(24)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to one Li(5), one Li(8), one Ni(12), one Ni(4), one Ni(6), and one Ni(9) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(23)Li2Ni4 octahedra, corners with three equivalent O(6)Li2Ni4 octahedra,  an edgeedge with one O(12)Li2Ni4 octahedra,  an edgeedge with one O(18)Li2Ni4 octahedra,  an edgeedge with one O(19)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(13)Li3Ni3 octahedra,  an edgeedge with one O(22)Li3Ni3 octahedra, edges with two equivalent O(1)Li2Ni4 octahedra, edges with two equivalent O(16)Li2Ni4 octahedra, and edges with two equivalent O(4)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the tenth O site, O(10) is bonded to one Li(3), one Li(6), one Ni(1), one Ni(10), one Ni(14), and one Ni(15) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(11)Li2Ni4 octahedra, corners with three equivalent O(7)Li2Ni4 octahedra,  an edgeedge with one O(15)Li2Ni4 octahedra,  an edgeedge with one O(19)Li2Ni4 octahedra,  an edgeedge with one O(21)Li2Ni4 octahedra,  an edgeedge with one O(23)Li2Ni4 octahedra,  an edgeedge with one O(13)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(2)Li2Ni4 octahedra, edges with two equivalent O(5)Li2Ni4 octahedra, and edges with two equivalent O(17)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Ni(10), one Ni(13), one Ni(14), and one Ni(15) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(10)Li2Ni4 octahedra, corners with three equivalent O(14)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(20)Li2Ni4 octahedra,  an edgeedge with one O(24)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(15)Li2Ni4 octahedra, edges with two equivalent O(21)Li2Ni4 octahedra, and edges with two equivalent O(3)Li3Ni3 octahedra. The corner-sharing octahedra are not tilted. In the twelfth O site, O(12) is bonded to one Li(5), one Li(9), one Ni(11), one Ni(2), one Ni(4), and one Ni(5) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(16)Li2Ni4 octahedra, corners with three equivalent O(20)Li2Ni4 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(14)Li2Ni4 octahedra,  an edgeedge with one O(24)Li2Ni4 octahedra,  an edgeedge with one O(9)Li2Ni4 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(18)Li2Ni4 octahedra, edges with two equivalent O(6)Li2Ni4 octahedra, and edges with two equivalent O(22)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(3), one Li(6), one Ni(12), one Ni(3), and one Ni(6) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li2Ni4 octahedra, corners with three equivalent O(17)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2Ni4 octahedra,  an edgeedge with one O(16)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(9)Li2Ni4 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(19)Li2Ni4 octahedra, edges with two equivalent O(23)Li2Ni4 octahedra, and edges with two equivalent O(7)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(4), one Ni(11), one Ni(13), one Ni(2), and one Ni(8) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(11)Li2Ni4 octahedra, corners with three equivalent O(18)Li2Ni4 octahedra,  an edgeedge with one O(12)Li2Ni4 octahedra,  an edgeedge with one O(15)Li2Ni4 octahedra,  an edgeedge with one O(21)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(22)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(20)Li2Ni4 octahedra, edges with two equivalent O(24)Li2Ni4 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedra are not tilted. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(7), one Ni(10), one Ni(13), one Ni(14), and one Ni(7) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(20)Li2Ni4 octahedra, corners with three equivalent O(5)Li2Ni4 octahedra,  an edgeedge with one O(10)Li2Ni4 octahedra,  an edgeedge with one O(14)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(24)Li2Ni4 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(11)Li2Ni4 octahedra, edges with two equivalent O(21)Li2Ni4 octahedra, and edges with two equivalent O(3)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixteenth O site, O(16) is bonded to one Li(5), one Li(9), one Ni(12), one Ni(3), one Ni(4), and one Ni(9) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(12)Li2Ni4 octahedra, corners with three equivalent O(19)Li2Ni4 octahedra,  an edgeedge with one O(18)Li2Ni4 octahedra,  an edgeedge with one O(23)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(13)Li3Ni3 octahedra,  an edgeedge with one O(22)Li3Ni3 octahedra, edges with two equivalent O(1)Li2Ni4 octahedra, edges with two equivalent O(9)Li2Ni4 octahedra, and edges with two equivalent O(4)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(3), one Li(6), one Ni(14), one Ni(15), and one Ni(7) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(13)Li3Ni3 octahedra, corners with three equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(15)Li2Ni4 octahedra,  an edgeedge with one O(19)Li2Ni4 octahedra,  an edgeedge with one O(21)Li2Ni4 octahedra,  an edgeedge with one O(23)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra, edges with two equivalent O(10)Li2Ni4 octahedra, edges with two equivalent O(2)Li2Ni4 octahedra, and edges with two equivalent O(5)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighteenth O site, O(18) is bonded to one Li(8), one Li(9), one Ni(11), one Ni(2), one Ni(4), and one Ni(8) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(1)Li2Ni4 octahedra, corners with three equivalent O(14)Li2Ni4 octahedra,  an edgeedge with one O(16)Li2Ni4 octahedra,  an edgeedge with one O(20)Li2Ni4 octahedra,  an edgeedge with one O(24)Li2Ni4 octahedra,  an edgeedge with one O(9)Li2Ni4 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(12)Li2Ni4 octahedra, edges with two equivalent O(6)Li2Ni4 octahedra, and edges with two equivalent O(22)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the nineteenth O site, O(19) is bonded to one Li(1), one Li(3), one Ni(1), one Ni(12), one Ni(3), and one Ni(9) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(16)Li2Ni4 octahedra, corners with three equivalent O(2)Li2Ni4 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(10)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(9)Li2Ni4 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(23)Li2Ni4 octahedra, edges with two equivalent O(7)Li2Ni4 octahedra, and edges with two equivalent O(13)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the twentieth O site, O(20) is bonded to one Li(2), one Li(7), one Ni(11), one Ni(13), one Ni(2), and one Ni(5) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(12)Li2Ni4 octahedra, corners with three equivalent O(15)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(18)Li2Ni4 octahedra,  an edgeedge with one O(21)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(22)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(14)Li2Ni4 octahedra, edges with two equivalent O(24)Li2Ni4 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the twenty-first O site, O(21) is bonded to one Li(4), one Li(7), one Ni(10), one Ni(13), one Ni(15), and one Ni(7) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(2)Li2Ni4 octahedra, corners with three equivalent O(24)Li2Ni4 octahedra,  an edgeedge with one O(10)Li2Ni4 octahedra,  an edgeedge with one O(14)Li2Ni4 octahedra,  an edgeedge with one O(20)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(11)Li2Ni4 octahedra, edges with two equivalent O(15)Li2Ni4 octahedra, and edges with two equivalent O(3)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the twenty-second O site, O(22) is bonded to one Li(5), one Li(8), one Li(9), one Ni(11), one Ni(5), and one Ni(8) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(4)Li3Ni3 octahedra, corners with three equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(14)Li2Ni4 octahedra,  an edgeedge with one O(16)Li2Ni4 octahedra,  an edgeedge with one O(20)Li2Ni4 octahedra,  an edgeedge with one O(24)Li2Ni4 octahedra,  an edgeedge with one O(9)Li2Ni4 octahedra, edges with two equivalent O(12)Li2Ni4 octahedra, edges with two equivalent O(18)Li2Ni4 octahedra, and edges with two equivalent O(6)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(6), one Ni(1), one Ni(12), one Ni(6), and one Ni(9) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(5)Li2Ni4 octahedra, corners with three equivalent O(9)Li2Ni4 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(10)Li2Ni4 octahedra,  an edgeedge with one O(16)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(19)Li2Ni4 octahedra, edges with two equivalent O(7)Li2Ni4 octahedra, and edges with two equivalent O(13)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the twenty-fourth O site, O(24) is bonded to one Li(4), one Li(7), one Ni(13), one Ni(2), one Ni(5), and one Ni(8) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(21)Li2Ni4 octahedra, corners with three equivalent O(6)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(12)Li2Ni4 octahedra,  an edgeedge with one O(15)Li2Ni4 octahedra,  an edgeedge with one O(18)Li2Ni4 octahedra,  an edgeedge with one O(22)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(14)Li2Ni4 octahedra, edges with two equivalent O(20)Li2Ni4 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Li3Ni5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.836
_cell_length_b   5.822
_cell_length_c   14.618
_cell_angle_alpha   78.751
_cell_angle_beta   95.260
_cell_angle_gamma   119.722
_symmetry_Int_Tables_number   1
_cell_volume   423.060
_cell_formula_units_Z   3
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  0.832  0.249  0.833  1.0
  Li  Li1  1  0.667  0.749  0.166  1.0
  Li  Li2  1  0.334  0.753  0.834  1.0
  Li  Li3  1  0.667  0.251  0.166  1.0
  Li  Li4  1  0.503  0.251  0.501  1.0
  Li  Li5  1  0.334  0.248  0.834  1.0
  Li  Li6  1  0.166  0.750  0.166  1.0
  Li  Li7  1  0.999  0.746  0.500  1.0
  Li  Li8  1  0.999  0.252  0.500  1.0
  Ni  Ni9  1  0.836  0.751  0.834  1.0
  Ni  Ni10  1  0.833  0.500  0.333  1.0
  Ni  Ni11  1  0.667  0.498  0.667  1.0
  Ni  Ni12  1  0.498  0.749  0.500  1.0
  Ni  Ni13  1  0.833  1.000  0.333  1.0
  Ni  Ni14  1  0.667  0.002  0.666  1.0
  Ni  Ni15  1  0.500  0.500  0.000  1.0
  Ni  Ni16  1  0.333  0.500  0.333  1.0
  Ni  Ni17  1  0.165  0.498  0.669  1.0
  Ni  Ni18  1  0.500  0.000  0.000  1.0
  Ni  Ni19  1  0.333  1.000  0.333  1.0
  Ni  Ni20  1  0.168  0.002  0.664  1.0
  Ni  Ni21  1  0.168  0.250  0.166  1.0
  Ni  Ni22  1  0.000  0.500  0.000  1.0
  Ni  Ni23  1  0.000  0.000  0.000  1.0
  O  O24  1  0.823  0.873  0.587  1.0
  O  O25  1  0.669  0.871  0.918  1.0
  O  O26  1  0.833  0.630  0.073  1.0
  O  O27  1  0.829  0.373  0.593  1.0
  O  O28  1  0.669  0.380  0.919  1.0
  O  O29  1  0.662  0.628  0.415  1.0
  O  O30  1  0.514  0.629  0.745  1.0
  O  O31  1  0.496  0.866  0.261  1.0
  O  O32  1  0.334  0.867  0.585  1.0
  O  O33  1  0.161  0.871  0.919  1.0
  O  O34  1  0.838  0.129  0.081  1.0
  O  O35  1  0.663  0.120  0.414  1.0
  O  O36  1  0.500  0.124  0.741  1.0
  O  O37  1  0.497  0.372  0.252  1.0
  O  O38  1  0.332  0.622  0.081  1.0
  O  O39  1  0.335  0.383  0.586  1.0
  O  O40  1  0.168  0.370  0.927  1.0
  O  O41  1  0.170  0.628  0.415  1.0
  O  O42  1  0.998  0.633  0.747  1.0
  O  O43  1  0.003  0.878  0.253  1.0
  O  O44  1  0.332  0.128  0.081  1.0
  O  O45  1  0.170  0.134  0.405  1.0
  O  O46  1  0.999  0.118  0.748  1.0
  O  O47  1  0.004  0.373  0.253  1.0
[/CIF]
.
The structure described by Li3Ni5O8 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(17), one O(19), one O(2), one O(23), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Ni(12)O6 octahedra, corners with three equivalent Ni(7)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(14)O6 octahedra,  an edgeedge with one Ni(15)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second Li site, Li(2) is bonded to one O(11), one O(14), one O(15), one O(20), one O(3), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(11)O6 octahedra, corners with three equivalent Ni(14)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(15)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,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Ni(13)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third Li site, Li(3) is bonded to one O(10), one O(13), one O(17), one O(19), one O(2), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Ni(15)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(14)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(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the fourth Li site, Li(4) is bonded to one O(11), one O(14), one O(21), one O(24), one O(3), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(15)O6 octahedra, corners with three equivalent Ni(8)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(14)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(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Ni(13)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fifth Li site, Li(5) is bonded to one O(12), one O(16), one O(22), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(9)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(12)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(8)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth Li site, Li(6) is bonded to one O(10), one O(13), one O(17), one O(23), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Ni(14)O6 octahedra, corners with three equivalent Ni(6)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(15)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(1)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 2-7°. In the seventh Li site, Li(7) is bonded to one O(15), one O(20), one O(21), one O(24), one O(3), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(7)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(14)O6 octahedra,  an edgeedge with one Ni(15)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(13)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the eighth Li site, Li(8) is bonded to one O(1), one O(18), one O(22), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(6)O6 octahedra, corners with three equivalent Ni(8)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the ninth Li site, Li(9) is bonded to one O(1), one O(12), one O(16), one O(18), one O(22), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent Ni(11)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(12)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(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are fifteen inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(19), one O(2), one O(23), one O(5), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent Ni(10)O6 octahedra, corners with three equivalent Ni(9)O6 octahedra,  an edgeedge with one Ni(12)O6 octahedra,  an edgeedge with one Ni(14)O6 octahedra,  an edgeedge with one Ni(15)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second Ni site, Ni(2) is bonded to one O(12), one O(14), one O(18), one O(20), one O(24), and one O(6) atom to form NiO6 octahedra that share corners with three equivalent Ni(13)O6 octahedra, corners with three equivalent Ni(4)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(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Ni(11)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the third Ni site, Ni(3) is bonded to one O(1), one O(13), one O(16), one O(19), one O(4), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(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 Li(8)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(12)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(12), one O(16), one O(18), one O(6), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Ni(12)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)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, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fifth Ni site, Ni(5) is bonded to one O(12), one O(20), one O(22), one O(24), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(13)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(11)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(13), one O(23), one O(4), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(1)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 Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(12)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the seventh Ni site, Ni(7) is bonded to one O(15), one O(17), one O(2), one O(21), one O(3), and one O(5) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(13)O6 octahedra, edges with two equivalent Ni(10)O6 octahedra, edges with two equivalent Ni(14)O6 octahedra, and edges with two equivalent Ni(15)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the eighth Ni site, Ni(8) is bonded to one O(14), one O(18), one O(22), one O(24), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(13)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(11)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the ninth Ni site, Ni(9) is bonded to one O(16), one O(19), one O(23), one O(4), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(12)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the tenth Ni site, Ni(10) is bonded to one O(10), one O(11), one O(15), one O(2), one O(21), and one O(5) atom to form NiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(13)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Ni(14)O6 octahedra, edges with two equivalent Ni(15)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the eleventh Ni site, Ni(11) is bonded to one O(12), one O(14), one O(18), one O(20), one O(22), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(9)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,  an edgeedge with one Ni(13)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twelfth Ni site, Ni(12) is bonded to one O(1), one O(13), one O(16), one O(19), one O(23), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the thirteenth Ni site, Ni(13) is bonded to one O(11), one O(14), one O(15), one O(20), one O(21), and one O(24) atom to form NiO6 octahedra that share corners with three equivalent Ni(10)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(14)O6 octahedra,  an edgeedge with one Ni(15)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the fourteenth Ni site, Ni(14) is bonded to one O(10), one O(11), one O(15), one O(17), one O(3), and one O(5) atom to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(13)O6 octahedra, edges with two equivalent Ni(10)O6 octahedra, edges with two equivalent Ni(15)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fifteenth Ni site, Ni(15) is bonded to one O(10), one O(11), one O(17), one O(2), one O(21), and one O(3) atom to form NiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(13)O6 octahedra, edges with two equivalent Ni(10)O6 octahedra, edges with two equivalent Ni(14)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(8), one Li(9), one Ni(12), one Ni(3), one Ni(4), and one Ni(6) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(18)Li2Ni4 octahedra, corners with three equivalent O(13)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2Ni4 octahedra,  an edgeedge with one O(19)Li2Ni4 octahedra,  an edgeedge with one O(23)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(22)Li3Ni3 octahedra, edges with two equivalent O(16)Li2Ni4 octahedra, edges with two equivalent O(9)Li2Ni4 octahedra, and edges with two equivalent O(4)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Ni(1), one Ni(10), one Ni(15), and one Ni(7) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(19)Li2Ni4 octahedra, corners with three equivalent O(21)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(15)Li2Ni4 octahedra,  an edgeedge with one O(23)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(13)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(10)Li2Ni4 octahedra, edges with two equivalent O(5)Li2Ni4 octahedra, and edges with two equivalent O(17)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Li(7), one Ni(14), one Ni(15), and one Ni(7) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(17)Li3Ni3 octahedra, corners with three equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2Ni4 octahedra,  an edgeedge with one O(14)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(20)Li2Ni4 octahedra,  an edgeedge with one O(24)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra, edges with two equivalent O(11)Li2Ni4 octahedra, edges with two equivalent O(15)Li2Ni4 octahedra, and edges with two equivalent O(21)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(5), one Li(8), one Li(9), one Ni(3), one Ni(6), and one Ni(9) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(7)Li2Ni4 octahedra, corners with three equivalent O(22)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2Ni4 octahedra,  an edgeedge with one O(18)Li2Ni4 octahedra,  an edgeedge with one O(19)Li2Ni4 octahedra,  an edgeedge with one O(23)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(13)Li3Ni3 octahedra, edges with two equivalent O(1)Li2Ni4 octahedra, edges with two equivalent O(16)Li2Ni4 octahedra, and edges with two equivalent O(9)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the fifth O site, O(5) is bonded to one Li(1), one Li(6), one Ni(1), one Ni(10), one Ni(14), and one Ni(7) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(15)Li2Ni4 octahedra, corners with three equivalent O(23)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(19)Li2Ni4 octahedra,  an edgeedge with one O(21)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(13)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(10)Li2Ni4 octahedra, edges with two equivalent O(2)Li2Ni4 octahedra, and edges with two equivalent O(17)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded to one Li(5), one Li(8), one Ni(2), one Ni(4), one Ni(5), and one Ni(8) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(24)Li2Ni4 octahedra, corners with three equivalent O(9)Li2Ni4 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(14)Li2Ni4 octahedra,  an edgeedge with one O(16)Li2Ni4 octahedra,  an edgeedge with one O(20)Li2Ni4 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(12)Li2Ni4 octahedra, edges with two equivalent O(18)Li2Ni4 octahedra, and edges with two equivalent O(22)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(3), one Li(6), one Ni(1), one Ni(3), one Ni(6), and one Ni(9) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(10)Li2Ni4 octahedra, corners with three equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(16)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(9)Li2Ni4 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(19)Li2Ni4 octahedra, edges with two equivalent O(23)Li2Ni4 octahedra, and edges with two equivalent O(13)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(7), one Ni(11), one Ni(5), and one Ni(8) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(22)Li3Ni3 octahedra, corners with three equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(12)Li2Ni4 octahedra,  an edgeedge with one O(15)Li2Ni4 octahedra,  an edgeedge with one O(18)Li2Ni4 octahedra,  an edgeedge with one O(21)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra, edges with two equivalent O(14)Li2Ni4 octahedra, edges with two equivalent O(20)Li2Ni4 octahedra, and edges with two equivalent O(24)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to one Li(5), one Li(8), one Ni(12), one Ni(4), one Ni(6), and one Ni(9) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(23)Li2Ni4 octahedra, corners with three equivalent O(6)Li2Ni4 octahedra,  an edgeedge with one O(12)Li2Ni4 octahedra,  an edgeedge with one O(18)Li2Ni4 octahedra,  an edgeedge with one O(19)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(13)Li3Ni3 octahedra,  an edgeedge with one O(22)Li3Ni3 octahedra, edges with two equivalent O(1)Li2Ni4 octahedra, edges with two equivalent O(16)Li2Ni4 octahedra, and edges with two equivalent O(4)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the tenth O site, O(10) is bonded to one Li(3), one Li(6), one Ni(1), one Ni(10), one Ni(14), and one Ni(15) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(11)Li2Ni4 octahedra, corners with three equivalent O(7)Li2Ni4 octahedra,  an edgeedge with one O(15)Li2Ni4 octahedra,  an edgeedge with one O(19)Li2Ni4 octahedra,  an edgeedge with one O(21)Li2Ni4 octahedra,  an edgeedge with one O(23)Li2Ni4 octahedra,  an edgeedge with one O(13)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(2)Li2Ni4 octahedra, edges with two equivalent O(5)Li2Ni4 octahedra, and edges with two equivalent O(17)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Ni(10), one Ni(13), one Ni(14), and one Ni(15) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(10)Li2Ni4 octahedra, corners with three equivalent O(14)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(20)Li2Ni4 octahedra,  an edgeedge with one O(24)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(15)Li2Ni4 octahedra, edges with two equivalent O(21)Li2Ni4 octahedra, and edges with two equivalent O(3)Li3Ni3 octahedra. The corner-sharing octahedra are not tilted. In the twelfth O site, O(12) is bonded to one Li(5), one Li(9), one Ni(11), one Ni(2), one Ni(4), and one Ni(5) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(16)Li2Ni4 octahedra, corners with three equivalent O(20)Li2Ni4 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(14)Li2Ni4 octahedra,  an edgeedge with one O(24)Li2Ni4 octahedra,  an edgeedge with one O(9)Li2Ni4 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(18)Li2Ni4 octahedra, edges with two equivalent O(6)Li2Ni4 octahedra, and edges with two equivalent O(22)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(3), one Li(6), one Ni(12), one Ni(3), and one Ni(6) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li2Ni4 octahedra, corners with three equivalent O(17)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2Ni4 octahedra,  an edgeedge with one O(16)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(9)Li2Ni4 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(19)Li2Ni4 octahedra, edges with two equivalent O(23)Li2Ni4 octahedra, and edges with two equivalent O(7)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(4), one Ni(11), one Ni(13), one Ni(2), and one Ni(8) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(11)Li2Ni4 octahedra, corners with three equivalent O(18)Li2Ni4 octahedra,  an edgeedge with one O(12)Li2Ni4 octahedra,  an edgeedge with one O(15)Li2Ni4 octahedra,  an edgeedge with one O(21)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(22)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(20)Li2Ni4 octahedra, edges with two equivalent O(24)Li2Ni4 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedra are not tilted. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(7), one Ni(10), one Ni(13), one Ni(14), and one Ni(7) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(20)Li2Ni4 octahedra, corners with three equivalent O(5)Li2Ni4 octahedra,  an edgeedge with one O(10)Li2Ni4 octahedra,  an edgeedge with one O(14)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(24)Li2Ni4 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(11)Li2Ni4 octahedra, edges with two equivalent O(21)Li2Ni4 octahedra, and edges with two equivalent O(3)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixteenth O site, O(16) is bonded to one Li(5), one Li(9), one Ni(12), one Ni(3), one Ni(4), and one Ni(9) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(12)Li2Ni4 octahedra, corners with three equivalent O(19)Li2Ni4 octahedra,  an edgeedge with one O(18)Li2Ni4 octahedra,  an edgeedge with one O(23)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra,  an edgeedge with one O(13)Li3Ni3 octahedra,  an edgeedge with one O(22)Li3Ni3 octahedra, edges with two equivalent O(1)Li2Ni4 octahedra, edges with two equivalent O(9)Li2Ni4 octahedra, and edges with two equivalent O(4)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(3), one Li(6), one Ni(14), one Ni(15), and one Ni(7) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(13)Li3Ni3 octahedra, corners with three equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(15)Li2Ni4 octahedra,  an edgeedge with one O(19)Li2Ni4 octahedra,  an edgeedge with one O(21)Li2Ni4 octahedra,  an edgeedge with one O(23)Li2Ni4 octahedra,  an edgeedge with one O(7)Li2Ni4 octahedra, edges with two equivalent O(10)Li2Ni4 octahedra, edges with two equivalent O(2)Li2Ni4 octahedra, and edges with two equivalent O(5)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighteenth O site, O(18) is bonded to one Li(8), one Li(9), one Ni(11), one Ni(2), one Ni(4), and one Ni(8) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(1)Li2Ni4 octahedra, corners with three equivalent O(14)Li2Ni4 octahedra,  an edgeedge with one O(16)Li2Ni4 octahedra,  an edgeedge with one O(20)Li2Ni4 octahedra,  an edgeedge with one O(24)Li2Ni4 octahedra,  an edgeedge with one O(9)Li2Ni4 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(12)Li2Ni4 octahedra, edges with two equivalent O(6)Li2Ni4 octahedra, and edges with two equivalent O(22)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the nineteenth O site, O(19) is bonded to one Li(1), one Li(3), one Ni(1), one Ni(12), one Ni(3), and one Ni(9) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(16)Li2Ni4 octahedra, corners with three equivalent O(2)Li2Ni4 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(10)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(9)Li2Ni4 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(23)Li2Ni4 octahedra, edges with two equivalent O(7)Li2Ni4 octahedra, and edges with two equivalent O(13)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the twentieth O site, O(20) is bonded to one Li(2), one Li(7), one Ni(11), one Ni(13), one Ni(2), and one Ni(5) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(12)Li2Ni4 octahedra, corners with three equivalent O(15)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(18)Li2Ni4 octahedra,  an edgeedge with one O(21)Li2Ni4 octahedra,  an edgeedge with one O(6)Li2Ni4 octahedra,  an edgeedge with one O(22)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(14)Li2Ni4 octahedra, edges with two equivalent O(24)Li2Ni4 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the twenty-first O site, O(21) is bonded to one Li(4), one Li(7), one Ni(10), one Ni(13), one Ni(15), and one Ni(7) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(2)Li2Ni4 octahedra, corners with three equivalent O(24)Li2Ni4 octahedra,  an edgeedge with one O(10)Li2Ni4 octahedra,  an edgeedge with one O(14)Li2Ni4 octahedra,  an edgeedge with one O(20)Li2Ni4 octahedra,  an edgeedge with one O(5)Li2Ni4 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(11)Li2Ni4 octahedra, edges with two equivalent O(15)Li2Ni4 octahedra, and edges with two equivalent O(3)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the twenty-second O site, O(22) is bonded to one Li(5), one Li(8), one Li(9), one Ni(11), one Ni(5), and one Ni(8) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(4)Li3Ni3 octahedra, corners with three equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(14)Li2Ni4 octahedra,  an edgeedge with one O(16)Li2Ni4 octahedra,  an edgeedge with one O(20)Li2Ni4 octahedra,  an edgeedge with one O(24)Li2Ni4 octahedra,  an edgeedge with one O(9)Li2Ni4 octahedra, edges with two equivalent O(12)Li2Ni4 octahedra, edges with two equivalent O(18)Li2Ni4 octahedra, and edges with two equivalent O(6)Li2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(6), one Ni(1), one Ni(12), one Ni(6), and one Ni(9) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(5)Li2Ni4 octahedra, corners with three equivalent O(9)Li2Ni4 octahedra,  an edgeedge with one O(1)Li2Ni4 octahedra,  an edgeedge with one O(10)Li2Ni4 octahedra,  an edgeedge with one O(16)Li2Ni4 octahedra,  an edgeedge with one O(2)Li2Ni4 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra, edges with two equivalent O(19)Li2Ni4 octahedra, edges with two equivalent O(7)Li2Ni4 octahedra, and edges with two equivalent O(13)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the twenty-fourth O site, O(24) is bonded to one Li(4), one Li(7), one Ni(13), one Ni(2), one Ni(5), and one Ni(8) atom to form OLi2Ni4 octahedra that share corners with three equivalent O(21)Li2Ni4 octahedra, corners with three equivalent O(6)Li2Ni4 octahedra,  an edgeedge with one O(11)Li2Ni4 octahedra,  an edgeedge with one O(12)Li2Ni4 octahedra,  an edgeedge with one O(15)Li2Ni4 octahedra,  an edgeedge with one O(18)Li2Ni4 octahedra,  an edgeedge with one O(22)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(14)Li2Ni4 octahedra, edges with two equivalent O(20)Li2Ni4 octahedra, and edges with two equivalent O(8)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Li3Ni5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.836
_cell_length_b   5.822
_cell_length_c   14.618
_cell_angle_alpha   78.751
_cell_angle_beta   95.260
_cell_angle_gamma   119.722
_symmetry_Int_Tables_number   1
_cell_volume   423.060
_cell_formula_units_Z   3
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  0.832  0.249  0.833  1.0
  Li  Li1  1  0.667  0.749  0.166  1.0
  Li  Li2  1  0.334  0.753  0.834  1.0
  Li  Li3  1  0.667  0.251  0.166  1.0
  Li  Li4  1  0.503  0.251  0.501  1.0
  Li  Li5  1  0.334  0.248  0.834  1.0
  Li  Li6  1  0.166  0.750  0.166  1.0
  Li  Li7  1  0.999  0.746  0.500  1.0
  Li  Li8  1  0.999  0.252  0.500  1.0
  Ni  Ni9  1  0.836  0.751  0.834  1.0
  Ni  Ni10  1  0.833  0.500  0.333  1.0
  Ni  Ni11  1  0.667  0.498  0.667  1.0
  Ni  Ni12  1  0.498  0.749  0.500  1.0
  Ni  Ni13  1  0.833  1.000  0.333  1.0
  Ni  Ni14  1  0.667  0.002  0.666  1.0
  Ni  Ni15  1  0.500  0.500  0.000  1.0
  Ni  Ni16  1  0.333  0.500  0.333  1.0
  Ni  Ni17  1  0.165  0.498  0.669  1.0
  Ni  Ni18  1  0.500  0.000  0.000  1.0
  Ni  Ni19  1  0.333  1.000  0.333  1.0
  Ni  Ni20  1  0.168  0.002  0.664  1.0
  Ni  Ni21  1  0.168  0.250  0.166  1.0
  Ni  Ni22  1  0.000  0.500  0.000  1.0
  Ni  Ni23  1  0.000  0.000  0.000  1.0
  O  O24  1  0.823  0.873  0.587  1.0
  O  O25  1  0.669  0.871  0.918  1.0
  O  O26  1  0.833  0.630  0.073  1.0
  O  O27  1  0.829  0.373  0.593  1.0
  O  O28  1  0.669  0.380  0.919  1.0
  O  O29  1  0.662  0.628  0.415  1.0
  O  O30  1  0.514  0.629  0.745  1.0
  O  O31  1  0.496  0.866  0.261  1.0
  O  O32  1  0.334  0.867  0.585  1.0
  O  O33  1  0.161  0.871  0.919  1.0
  O  O34  1  0.838  0.129  0.081  1.0
  O  O35  1  0.663  0.120  0.414  1.0
  O  O36  1  0.500  0.124  0.741  1.0
  O  O37  1  0.497  0.372  0.252  1.0
  O  O38  1  0.332  0.622  0.081  1.0
  O  O39  1  0.335  0.383  0.586  1.0
  O  O40  1  0.168  0.370  0.927  1.0
  O  O41  1  0.170  0.628  0.415  1.0
  O  O42  1  0.998  0.633  0.747  1.0
  O  O43  1  0.003  0.878  0.253  1.0
  O  O44  1  0.332  0.128  0.081  1.0
  O  O45  1  0.170  0.134  0.405  1.0
  O  O46  1  0.999  0.118  0.748  1.0
  O  O47  1  0.004  0.373  0.253  1.0
[/CIF]
.