Li7Ni13O24 crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(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(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the second Li site, Li(2) is bonded to one O(6), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(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 4-10°. In the fourth Li site, Li(4) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ni(5)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 Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one 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(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the third Ni site, Ni(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the fourth Ni site, Ni(4) is bonded to one O(4), one O(8), two equivalent O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth Ni site, Ni(5) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(3), one Ni(5), and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(2)Li2Ni3 square pyramid, corners with two equivalent O(3)Li2Ni3 square pyramids, corners with two equivalent O(7)Li2Ni3 square pyramids,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid,  an edgeedge with one O(5)LiNi4 square pyramid, and edges with two equivalent O(2)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Ni(3), and two equivalent Ni(2) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(3)Li2Ni3 square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(7)Li2Ni3 square pyramids, corners with two equivalent O(5)LiNi4 square pyramids,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(5)LiNi4 square pyramid, and edges with two equivalent O(3)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(4), and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded to one Li(3), one Ni(1), one Ni(2), one Ni(4), and one Ni(5) atom to form OLiNi4 square pyramids that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(5)LiNi4 square pyramid, corners with two equivalent O(3)Li2Ni3 square pyramids, corners with two equivalent O(7)Li2Ni3 square pyramids,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and edges with two equivalent O(5)LiNi4 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the sixth O site, O(6) is bonded to one Li(2), two equivalent Li(3), one Ni(3), and two equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(7)Li2Ni3 square pyramids, corners with two equivalent O(5)LiNi4 square pyramids,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(7)Li2Ni3 square pyramids, edges with two equivalent O(5)LiNi4 square pyramids, and edges with four equivalent O(3)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Ni(4), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids, corners with two equivalent O(5)LiNi4 square pyramids,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(5)LiNi4 square pyramid, and edges with two equivalent O(7)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the eighth O site, O(8) is bonded to one Li(2), two equivalent Li(1), one Ni(4), and two equivalent Ni(2) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(3)Li2Ni3 square pyramids, edges with two equivalent O(5)LiNi4 square pyramids, and edges with four equivalent O(7)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 4°.
Li7Ni13O24 crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(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(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. Both Li(1)-O(2) bond lengths are 2.10 Å. Both Li(1)-O(7) bond lengths are 2.12 Å. Both Li(1)-O(8) bond lengths are 2.10 Å. In the second Li site, Li(2) is bonded to one O(6), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. The Li(2)-O(6) bond length is 1.99 Å. The Li(2)-O(8) bond length is 2.13 Å. Both Li(2)-O(3) bond lengths are 2.07 Å. Both Li(2)-O(7) bond lengths are 2.17 Å. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(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 4-10°. Both Li(3)-O(3) bond lengths are 2.15 Å. Both Li(3)-O(5) bond lengths are 2.18 Å. Both Li(3)-O(6) bond lengths are 2.10 Å. In the fourth Li site, Li(4) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. Both Li(4)-O(4) bond lengths are 2.16 Å. All Li(4)-O(2) bond lengths are 2.13 Å. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ni(5)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 Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. The Ni(1)-O(2) bond length is 1.88 Å. The Ni(1)-O(4) bond length is 1.99 Å. The Ni(1)-O(5) bond length is 2.06 Å. The Ni(1)-O(6) bond length is 1.96 Å. There is one shorter (1.89 Å) and one longer (2.00 Å) Ni(1)-O(7) bond length. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one 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(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. The Ni(2)-O(1) bond length is 1.90 Å. The Ni(2)-O(2) bond length is 1.98 Å. The Ni(2)-O(5) bond length is 1.89 Å. The Ni(2)-O(8) bond length is 2.04 Å. There is one shorter (1.90 Å) and one longer (2.03 Å) Ni(2)-O(3) bond length. In the third Ni site, Ni(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. The Ni(3)-O(1) bond length is 2.04 Å. The Ni(3)-O(6) bond length is 2.08 Å. Both Ni(3)-O(2) bond lengths are 1.93 Å. Both Ni(3)-O(3) bond lengths are 1.90 Å. In the fourth Ni site, Ni(4) is bonded to one O(4), one O(8), two equivalent O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Ni(4)-O(4) bond length is 1.87 Å. The Ni(4)-O(8) bond length is 1.90 Å. Both Ni(4)-O(5) bond lengths are 1.91 Å. Both Ni(4)-O(7) bond lengths are 1.87 Å. In the fifth Ni site, Ni(5) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. Both Ni(5)-O(1) bond lengths are 2.01 Å. All Ni(5)-O(5) bond lengths are 2.06 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(3), one Ni(5), and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(2)Li2Ni3 square pyramid, corners with two equivalent O(3)Li2Ni3 square pyramids, corners with two equivalent O(7)Li2Ni3 square pyramids,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid,  an edgeedge with one O(5)LiNi4 square pyramid, and edges with two equivalent O(2)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Ni(3), and two equivalent Ni(2) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(3)Li2Ni3 square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(7)Li2Ni3 square pyramids, corners with two equivalent O(5)LiNi4 square pyramids,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(5)LiNi4 square pyramid, and edges with two equivalent O(3)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(4), and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded to one Li(3), one Ni(1), one Ni(2), one Ni(4), and one Ni(5) atom to form OLiNi4 square pyramids that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(5)LiNi4 square pyramid, corners with two equivalent O(3)Li2Ni3 square pyramids, corners with two equivalent O(7)Li2Ni3 square pyramids,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and edges with two equivalent O(5)LiNi4 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the sixth O site, O(6) is bonded to one Li(2), two equivalent Li(3), one Ni(3), and two equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(8)Li3Ni3 octahedra, corners with two equivalent O(7)Li2Ni3 square pyramids, corners with two equivalent O(5)LiNi4 square pyramids,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(7)Li2Ni3 square pyramids, edges with two equivalent O(5)LiNi4 square pyramids, and edges with four equivalent O(3)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Ni(4), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids, corners with two equivalent O(5)LiNi4 square pyramids,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(5)LiNi4 square pyramid, and edges with two equivalent O(7)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the eighth O site, O(8) is bonded to one Li(2), two equivalent Li(1), one Ni(4), and two equivalent Ni(2) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(2)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(3)Li2Ni3 square pyramids, edges with two equivalent O(5)LiNi4 square pyramids, and edges with four equivalent O(7)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 4°.