Li7MgNi7O16 crystallizes in the monoclinic C2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(2)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, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)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 8-13°. In the fourth Li site, Li(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent 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 4-11°. In the fifth Li site, Li(5) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. Mg(1) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)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 Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fifth Ni site, Ni(5) is bonded to two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Ni(2), and one Ni(3) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(5)Li3Ni3 octahedra, corners with two equivalent O(4)Li3Ni3 octahedra, corners with two equivalent O(2)Li2MgNi2 square pyramids, corners with two equivalent O(8)Li2MgNi2 square pyramids, corners with two equivalent O(1)Li3Ni2 square pyramids,  an edgeedge with one O(7)Li2MgNi3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with three equivalent O(3)Li3Ni3 octahedra, and  an edgeedge with one O(2)Li2MgNi2 square pyramid. The corner-sharing octahedral tilt angles range from 6-9°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Mg(1), one Ni(1), and one Ni(3) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(7)Li2MgNi3 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra, corners with two equivalent O(8)Li2MgNi2 square pyramids, corners with two equivalent O(1)Li3Ni2 square pyramids,  an edgeedge with one O(7)Li2MgNi3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and  an edgeedge with one O(1)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 7-11°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(7)Li2MgNi3 octahedra,  a cornercorner with one O(3)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra, corners with two equivalent O(2)Li2MgNi2 square pyramids,  an edgeedge with one O(7)Li2MgNi3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with three equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and edges with three equivalent O(1)Li3Ni2 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(4)Li3Ni3 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra,  a cornercorner with one O(8)Li2MgNi2 square pyramid, corners with two equivalent O(1)Li3Ni2 square pyramids,  an edgeedge with one O(7)Li2MgNi3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra, edges with three equivalent O(3)Li3Ni3 octahedra, edges with three equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and  an edgeedge with one O(1)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(5), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3Ni3 octahedra, corners with two equivalent O(4)Li3Ni3 octahedra,  a cornercorner with one O(1)Li3Ni2 square pyramid, corners with two equivalent O(8)Li2MgNi2 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra, edges with three equivalent O(7)Li2MgNi3 octahedra, edges with three equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and  an edgeedge with one O(1)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Li(5), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(7)Li2MgNi3 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra,  a cornercorner with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(7)Li2MgNi3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with three equivalent O(4)Li3Ni3 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and  an edgeedge with one O(1)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 1-7°. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Mg(1), one Ni(1), one Ni(3), and one Ni(5) atom to form OLi2MgNi3 octahedra that share  a cornercorner with one O(7)Li2MgNi3 octahedra,  a cornercorner with one O(3)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra, corners with two equivalent O(2)Li2MgNi2 square pyramids,  an edgeedge with one O(7)Li2MgNi3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(1)Li3Ni2 square pyramid, and edges with three equivalent O(8)Li2MgNi2 square pyramids. The corner-sharing octahedral tilt angles range from 3-7°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Mg(1), one Ni(1), and one Ni(5) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(4)Li3Ni3 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra, corners with two equivalent O(2)Li2MgNi2 square pyramids, corners with two equivalent O(8)Li2MgNi2 square pyramids, corners with two equivalent O(1)Li3Ni2 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with three equivalent O(7)Li2MgNi3 octahedra, and  an edgeedge with one O(2)Li2MgNi2 square pyramid. The corner-sharing octahedral tilt angles range from 8-12°.
Li7MgNi7O16 crystallizes in the monoclinic C2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(2)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, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. The Li(1)-O(1) bond length is 1.94 Å. The Li(1)-O(3) bond length is 2.15 Å. The Li(1)-O(4) bond length is 2.13 Å. The Li(1)-O(5) bond length is 2.15 Å. The Li(1)-O(7) bond length is 2.21 Å. The Li(1)-O(8) bond length is 1.94 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. The Li(2)-O(1) bond length is 2.10 Å. The Li(2)-O(2) bond length is 1.95 Å. The Li(2)-O(4) bond length is 2.28 Å. The Li(2)-O(5) bond length is 2.23 Å. The Li(2)-O(6) bond length is 1.96 Å. The Li(2)-O(8) bond length is 2.16 Å. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)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 8-13°. Both Li(3)-O(1) bond lengths are 2.15 Å. Both Li(3)-O(2) bond lengths are 2.12 Å. Both Li(3)-O(3) bond lengths are 2.19 Å. In the fourth Li site, Li(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent 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 4-11°. Both Li(4)-O(3) bond lengths are 2.12 Å. Both Li(4)-O(4) bond lengths are 2.05 Å. Both Li(4)-O(6) bond lengths are 2.09 Å. In the fifth Li site, Li(5) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. Both Li(5)-O(5) bond lengths are 2.16 Å. Both Li(5)-O(6) bond lengths are 2.07 Å. Both Li(5)-O(7) bond lengths are 2.13 Å. Mg(1) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Both Mg(1)-O(2) bond lengths are 1.99 Å. Both Mg(1)-O(7) bond lengths are 2.08 Å. Both Mg(1)-O(8) bond lengths are 2.06 Å. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. The Ni(1)-O(2) bond length is 1.87 Å. The Ni(1)-O(3) bond length is 1.96 Å. The Ni(1)-O(4) bond length is 2.05 Å. The Ni(1)-O(6) bond length is 1.96 Å. The Ni(1)-O(7) bond length is 1.98 Å. The Ni(1)-O(8) bond length is 2.01 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)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 Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Both Ni(2)-O(1) bond lengths are 1.87 Å. Both Ni(2)-O(3) bond lengths are 1.90 Å. Both Ni(2)-O(4) bond lengths are 1.88 Å. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. The Ni(3)-O(1) bond length is 1.89 Å. The Ni(3)-O(2) bond length is 2.01 Å. The Ni(3)-O(3) bond length is 1.97 Å. The Ni(3)-O(5) bond length is 1.96 Å. The Ni(3)-O(6) bond length is 1.95 Å. The Ni(3)-O(7) bond length is 2.07 Å. In the fourth Ni site, Ni(4) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. Both Ni(4)-O(4) bond lengths are 1.92 Å. Both Ni(4)-O(5) bond lengths are 1.94 Å. Both Ni(4)-O(6) bond lengths are 2.06 Å. In the fifth Ni site, Ni(5) is bonded to two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. Both Ni(5)-O(5) bond lengths are 1.93 Å. Both Ni(5)-O(7) bond lengths are 1.88 Å. Both Ni(5)-O(8) bond lengths are 1.84 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Ni(2), and one Ni(3) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(5)Li3Ni3 octahedra, corners with two equivalent O(4)Li3Ni3 octahedra, corners with two equivalent O(2)Li2MgNi2 square pyramids, corners with two equivalent O(8)Li2MgNi2 square pyramids, corners with two equivalent O(1)Li3Ni2 square pyramids,  an edgeedge with one O(7)Li2MgNi3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with three equivalent O(3)Li3Ni3 octahedra, and  an edgeedge with one O(2)Li2MgNi2 square pyramid. The corner-sharing octahedral tilt angles range from 6-9°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Mg(1), one Ni(1), and one Ni(3) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(7)Li2MgNi3 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra, corners with two equivalent O(8)Li2MgNi2 square pyramids, corners with two equivalent O(1)Li3Ni2 square pyramids,  an edgeedge with one O(7)Li2MgNi3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and  an edgeedge with one O(1)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 7-11°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(7)Li2MgNi3 octahedra,  a cornercorner with one O(3)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra, corners with two equivalent O(2)Li2MgNi2 square pyramids,  an edgeedge with one O(7)Li2MgNi3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with three equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and edges with three equivalent O(1)Li3Ni2 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(4)Li3Ni3 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra,  a cornercorner with one O(8)Li2MgNi2 square pyramid, corners with two equivalent O(1)Li3Ni2 square pyramids,  an edgeedge with one O(7)Li2MgNi3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra, edges with three equivalent O(3)Li3Ni3 octahedra, edges with three equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and  an edgeedge with one O(1)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(5), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3Ni3 octahedra, corners with two equivalent O(4)Li3Ni3 octahedra,  a cornercorner with one O(1)Li3Ni2 square pyramid, corners with two equivalent O(8)Li2MgNi2 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra, edges with three equivalent O(7)Li2MgNi3 octahedra, edges with three equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and  an edgeedge with one O(1)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Li(5), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(7)Li2MgNi3 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra,  a cornercorner with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(7)Li2MgNi3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with three equivalent O(4)Li3Ni3 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and  an edgeedge with one O(1)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 1-7°. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Mg(1), one Ni(1), one Ni(3), and one Ni(5) atom to form OLi2MgNi3 octahedra that share  a cornercorner with one O(7)Li2MgNi3 octahedra,  a cornercorner with one O(3)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra, corners with two equivalent O(2)Li2MgNi2 square pyramids,  an edgeedge with one O(7)Li2MgNi3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2MgNi2 square pyramid,  an edgeedge with one O(1)Li3Ni2 square pyramid, and edges with three equivalent O(8)Li2MgNi2 square pyramids. The corner-sharing octahedral tilt angles range from 3-7°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Mg(1), one Ni(1), and one Ni(5) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(4)Li3Ni3 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra, corners with two equivalent O(2)Li2MgNi2 square pyramids, corners with two equivalent O(8)Li2MgNi2 square pyramids, corners with two equivalent O(1)Li3Ni2 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with three equivalent O(7)Li2MgNi3 octahedra, and  an edgeedge with one O(2)Li2MgNi2 square pyramid. The corner-sharing octahedral tilt angles range from 8-12°.