LiNi9O13 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), two equivalent O(10), and two equivalent O(8) atoms. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), two equivalent O(12), and two equivalent O(13) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. In the second Ni site, Ni(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and edges with three equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the third Ni site, Ni(3) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fourth Ni site, Ni(4) is bonded to one O(13), one O(8), two equivalent O(10), and two equivalent O(12) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fifth Ni site, Ni(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(13) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and  a faceface with one Ni(8)O5 square pyramid. The corner-sharing octahedral tilt angles range from 0-16°. In the seventh Ni site, Ni(7) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the eighth Ni site, Ni(8) is bonded to one O(2), two equivalent O(6), and two equivalent O(8) atoms to form NiO5 square pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(8)O5 square pyramids, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the ninth Ni site, Ni(9) is bonded to one O(13), one O(3), two equivalent O(11), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-60°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Ni(6), one Ni(7), two equivalent Ni(2), and two equivalent Ni(3) atoms to form ONi6 octahedra that share corners with two equivalent O(4)Ni5 square pyramids, corners with two equivalent O(5)Ni5 square pyramids, edges with two equivalent O(1)Ni6 octahedra, edges with three equivalent O(4)Ni5 square pyramids, edges with three equivalent O(5)Ni5 square pyramids, and edges with two equivalent O(6)Ni5 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(6), and one Ni(8) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(7) and one Ni(9) atom. In the fourth O site, O(4) is bonded to one Ni(3), two equivalent Ni(2), and two equivalent Ni(6) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra, corners with four equivalent O(6)Ni5 trigonal bipyramids, edges with three equivalent O(1)Ni6 octahedra, edges with two equivalent O(4)Ni5 square pyramids, edges with two equivalent O(5)Ni5 square pyramids, and  an edgeedge with one O(6)Ni5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 13°. In the fifth O site, O(5) is bonded to one Ni(2), two equivalent Ni(3), and two equivalent Ni(7) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra,  a cornercorner with one O(6)Ni5 trigonal bipyramid, edges with three equivalent O(1)Ni6 octahedra, edges with two equivalent O(4)Ni5 square pyramids, and edges with two equivalent O(5)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the sixth O site, O(6) is bonded to one Ni(2), two equivalent Ni(6), and two equivalent Ni(8) atoms to form distorted ONi5 trigonal bipyramids that share  a cornercorner with one O(5)Ni5 square pyramid, corners with four equivalent O(4)Ni5 square pyramids, edges with two equivalent O(1)Ni6 octahedra,  an edgeedge with one O(4)Ni5 square pyramid, and edges with two equivalent O(6)Ni5 trigonal bipyramids. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3) and two equivalent Ni(7) atoms. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Ni(4), and two equivalent Ni(8) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ni(5) and two equivalent Ni(9) atoms. In the tenth O site, O(10) is bonded to two equivalent Li(1), one Ni(1), and two equivalent Ni(4) atoms to form OLi2Ni3 square pyramids that share corners with two equivalent O(12)LiNi5 octahedra,  a cornercorner with one O(11)Ni5 square pyramid, edges with two equivalent O(13)Ni6 octahedra, edges with three equivalent O(12)LiNi5 octahedra, and edges with two equivalent O(10)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 15°. In the eleventh O site, O(11) is bonded to one Ni(1), two equivalent Ni(5), and two equivalent Ni(9) atoms to form ONi5 square pyramids that share corners with two equivalent O(13)Ni6 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid, edges with two equivalent O(12)LiNi5 octahedra, edges with three equivalent O(13)Ni6 octahedra, and edges with two equivalent O(11)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the twelfth O site, O(12) is bonded to one Li(1), one Ni(5), two equivalent Ni(1), and two equivalent Ni(4) atoms to form OLiNi5 octahedra that share corners with two equivalent O(13)Ni6 octahedra, corners with two equivalent O(10)Li2Ni3 square pyramids, edges with two equivalent O(12)LiNi5 octahedra, edges with three equivalent O(13)Ni6 octahedra, edges with two equivalent O(11)Ni5 square pyramids, and edges with three equivalent O(10)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 8°. In the thirteenth O site, O(13) is bonded to one Ni(4), one Ni(9), two equivalent Ni(1), and two equivalent Ni(5) atoms to form ONi6 octahedra that share corners with two equivalent O(12)LiNi5 octahedra, corners with two equivalent O(11)Ni5 square pyramids, edges with two equivalent O(13)Ni6 octahedra, edges with three equivalent O(12)LiNi5 octahedra, edges with two equivalent O(10)Li2Ni3 square pyramids, and edges with three equivalent O(11)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 8°.
LiNi9O13 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), two equivalent O(10), and two equivalent O(8) atoms. The Li(1)-O(12) bond length is 2.54 Å. The Li(1)-O(2) bond length is 1.91 Å. Both Li(1)-O(10) bond lengths are 2.02 Å. There is one shorter (2.38 Å) and one longer (2.39 Å) Li(1)-O(8) bond length. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), two equivalent O(12), and two equivalent O(13) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. The Ni(1)-O(10) bond length is 1.93 Å. The Ni(1)-O(11) bond length is 1.98 Å. There is one shorter (2.07 Å) and one longer (2.08 Å) Ni(1)-O(12) bond length. There is one shorter (2.10 Å) and one longer (2.11 Å) Ni(1)-O(13) bond length. In the second Ni site, Ni(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and edges with three equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. The Ni(2)-O(5) bond length is 2.05 Å. The Ni(2)-O(6) bond length is 2.01 Å. Both Ni(2)-O(1) bond lengths are 2.13 Å. Both Ni(2)-O(4) bond lengths are 2.05 Å. In the third Ni site, Ni(3) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. The Ni(3)-O(4) bond length is 1.99 Å. The Ni(3)-O(7) bond length is 1.97 Å. Both Ni(3)-O(1) bond lengths are 2.09 Å. Both Ni(3)-O(5) bond lengths are 2.09 Å. In the fourth Ni site, Ni(4) is bonded to one O(13), one O(8), two equivalent O(10), and two equivalent O(12) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. The Ni(4)-O(13) bond length is 2.40 Å. The Ni(4)-O(8) bond length is 1.98 Å. Both Ni(4)-O(10) bond lengths are 1.98 Å. There is one shorter (2.07 Å) and one longer (2.08 Å) Ni(4)-O(12) bond length. In the fifth Ni site, Ni(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(13) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. The Ni(5)-O(12) bond length is 2.09 Å. The Ni(5)-O(9) bond length is 1.99 Å. Both Ni(5)-O(11) bond lengths are 2.06 Å. Both Ni(5)-O(13) bond lengths are 2.08 Å. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and  a faceface with one Ni(8)O5 square pyramid. The corner-sharing octahedral tilt angles range from 0-16°. The Ni(6)-O(1) bond length is 2.28 Å. The Ni(6)-O(2) bond length is 1.91 Å. There is one shorter (2.02 Å) and one longer (2.03 Å) Ni(6)-O(4) bond length. There is one shorter (2.16 Å) and one longer (2.17 Å) Ni(6)-O(6) bond length. In the seventh Ni site, Ni(7) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. The Ni(7)-O(1) bond length is 2.04 Å. The Ni(7)-O(3) bond length is 1.84 Å. There is one shorter (2.01 Å) and one longer (2.02 Å) Ni(7)-O(5) bond length. Both Ni(7)-O(7) bond lengths are 1.92 Å. In the eighth Ni site, Ni(8) is bonded to one O(2), two equivalent O(6), and two equivalent O(8) atoms to form NiO5 square pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(8)O5 square pyramids, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Ni(8)-O(2) bond length is 2.04 Å. Both Ni(8)-O(6) bond lengths are 2.01 Å. Both Ni(8)-O(8) bond lengths are 1.91 Å. In the ninth Ni site, Ni(9) is bonded to one O(13), one O(3), two equivalent O(11), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-60°. The Ni(9)-O(13) bond length is 1.99 Å. The Ni(9)-O(3) bond length is 1.83 Å. Both Ni(9)-O(11) bond lengths are 2.06 Å. There is one shorter (1.92 Å) and one longer (1.93 Å) Ni(9)-O(9) bond length. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Ni(6), one Ni(7), two equivalent Ni(2), and two equivalent Ni(3) atoms to form ONi6 octahedra that share corners with two equivalent O(4)Ni5 square pyramids, corners with two equivalent O(5)Ni5 square pyramids, edges with two equivalent O(1)Ni6 octahedra, edges with three equivalent O(4)Ni5 square pyramids, edges with three equivalent O(5)Ni5 square pyramids, and edges with two equivalent O(6)Ni5 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(6), and one Ni(8) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(7) and one Ni(9) atom. In the fourth O site, O(4) is bonded to one Ni(3), two equivalent Ni(2), and two equivalent Ni(6) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra, corners with four equivalent O(6)Ni5 trigonal bipyramids, edges with three equivalent O(1)Ni6 octahedra, edges with two equivalent O(4)Ni5 square pyramids, edges with two equivalent O(5)Ni5 square pyramids, and  an edgeedge with one O(6)Ni5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 13°. In the fifth O site, O(5) is bonded to one Ni(2), two equivalent Ni(3), and two equivalent Ni(7) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra,  a cornercorner with one O(6)Ni5 trigonal bipyramid, edges with three equivalent O(1)Ni6 octahedra, edges with two equivalent O(4)Ni5 square pyramids, and edges with two equivalent O(5)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the sixth O site, O(6) is bonded to one Ni(2), two equivalent Ni(6), and two equivalent Ni(8) atoms to form distorted ONi5 trigonal bipyramids that share  a cornercorner with one O(5)Ni5 square pyramid, corners with four equivalent O(4)Ni5 square pyramids, edges with two equivalent O(1)Ni6 octahedra,  an edgeedge with one O(4)Ni5 square pyramid, and edges with two equivalent O(6)Ni5 trigonal bipyramids. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3) and two equivalent Ni(7) atoms. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Ni(4), and two equivalent Ni(8) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ni(5) and two equivalent Ni(9) atoms. In the tenth O site, O(10) is bonded to two equivalent Li(1), one Ni(1), and two equivalent Ni(4) atoms to form OLi2Ni3 square pyramids that share corners with two equivalent O(12)LiNi5 octahedra,  a cornercorner with one O(11)Ni5 square pyramid, edges with two equivalent O(13)Ni6 octahedra, edges with three equivalent O(12)LiNi5 octahedra, and edges with two equivalent O(10)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 15°. In the eleventh O site, O(11) is bonded to one Ni(1), two equivalent Ni(5), and two equivalent Ni(9) atoms to form ONi5 square pyramids that share corners with two equivalent O(13)Ni6 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid, edges with two equivalent O(12)LiNi5 octahedra, edges with three equivalent O(13)Ni6 octahedra, and edges with two equivalent O(11)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the twelfth O site, O(12) is bonded to one Li(1), one Ni(5), two equivalent Ni(1), and two equivalent Ni(4) atoms to form OLiNi5 octahedra that share corners with two equivalent O(13)Ni6 octahedra, corners with two equivalent O(10)Li2Ni3 square pyramids, edges with two equivalent O(12)LiNi5 octahedra, edges with three equivalent O(13)Ni6 octahedra, edges with two equivalent O(11)Ni5 square pyramids, and edges with three equivalent O(10)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 8°. In the thirteenth O site, O(13) is bonded to one Ni(4), one Ni(9), two equivalent Ni(1), and two equivalent Ni(5) atoms to form ONi6 octahedra that share corners with two equivalent O(12)LiNi5 octahedra, corners with two equivalent O(11)Ni5 square pyramids, edges with two equivalent O(13)Ni6 octahedra, edges with three equivalent O(12)LiNi5 octahedra, edges with two equivalent O(10)Li2Ni3 square pyramids, and edges with three equivalent O(11)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 8°.